Table 11B. Continuous split-core remanent measurements for Hole 1061C after 20 mT demagnetization. Leg Site Hole Core Type Section Interval Depth Declination Inclination Intensity (A/m) Demagnetization level Mx (A*m^2) My (A*m^2) Mz (A*m^2) Date Drift corrected Tray corrected Run # 172 1061 C 1 H 1 0 0 37.9 57.06 1.50E-03 20 6.82E-08 5.43E-08 2.18E-07 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 5 0.05 323.84 69.3 4.67E-03 20 1.41E-07 -1.06E-07 7.58E-07 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 10 0.1 279.43 54.7 9.48E-03 20 9.52E-08 -5.86E-07 1.34E-06 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 15 0.15 266.01 45.53 1.37E-02 20 -7.11E-08 -1.04E-06 1.70E-06 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 20 0.2 258.57 47.59 1.35E-02 20 -1.91E-07 -9.66E-07 1.73E-06 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 25 0.25 220.99 51.82 1.08E-02 20 -5.36E-07 -4.76E-07 1.48E-06 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 30 0.3 241.36 53.07 8.44E-03 20 -2.58E-07 -4.83E-07 1.17E-06 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 35 0.35 258.29 54.05 8.71E-03 20 -1.10E-07 -5.43E-07 1.22E-06 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 40 0.4 245.01 58.7 8.27E-03 20 -1.93E-07 -4.22E-07 1.23E-06 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 45 0.45 247.27 56.07 9.17E-03 20 -2.10E-07 -5.12E-07 1.32E-06 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 50 0.5 235.94 54.93 9.84E-03 20 -3.36E-07 -5.08E-07 1.40E-06 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 55 0.55 234.09 53.58 9.32E-03 20 -3.44E-07 -4.86E-07 1.30E-06 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 60 0.6 245.73 57.51 1.02E-02 20 -2.38E-07 -5.40E-07 1.49E-06 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 65 0.65 232.54 63.39 1.32E-02 20 -3.81E-07 -5.09E-07 2.05E-06 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 70 0.7 236.35 43.83 1.72E-02 20 -7.30E-07 -1.12E-06 2.07E-06 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 75 0.75 261.06 42.67 1.51E-02 20 -1.83E-07 -1.19E-06 1.77E-06 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 80 0.8 244.09 53.59 8.15E-03 20 -2.24E-07 -4.72E-07 1.14E-06 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 85 0.85 246.12 86.48 4.17E-03 20 -1.10E-08 -2.53E-08 7.21E-07 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 90 0.9 264.17 59.88 7.79E-03 20 -4.21E-08 -4.22E-07 1.17E-06 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 95 0.95 251.62 45.99 1.37E-02 20 -3.18E-07 -9.78E-07 1.70E-06 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 100 1 250.99 41.32 1.80E-02 20 -4.67E-07 -1.39E-06 2.06E-06 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 105 1.05 247.32 38.96 1.63E-02 20 -5.18E-07 -1.27E-06 1.78E-06 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 110 1.1 248.84 37.2 1.10E-02 20 -3.35E-07 -8.85E-07 1.15E-06 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 115 1.15 261.39 36.67 7.54E-03 20 -9.60E-08 -6.48E-07 7.80E-07 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 120 1.2 280.3 39.02 9.40E-03 20 1.39E-07 -7.80E-07 1.03E-06 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 125 1.25 270.23 37.1 1.12E-02 20 3.83E-09 -9.65E-07 1.17E-06 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 130 1.3 264.4 43.91 1.02E-02 20 -7.58E-08 -7.91E-07 1.22E-06 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 135 1.35 264.1 41.71 1.11E-02 20 -9.05E-08 -8.95E-07 1.28E-06 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 140 1.4 272.35 41.1 1.30E-02 20 4.26E-08 -1.06E-06 1.48E-06 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 145 1.45 271.44 42.15 1.37E-02 20 2.71E-08 -1.10E-06 1.59E-06 03/12/97 Yes Yes 1967 172 1061 C 1 H 1 150 1.5 255.04 50.1 8.56E-03 20 -1.50E-07 -5.75E-07 1.14E-06 03/12/97 Yes Yes 1967 172 1061 C 1 H 2 0 1.5 247.57 50.74 5.61E-03 20 -1.44E-07 -3.56E-07 7.53E-07 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 5 1.55 242.93 40.74 1.31E-02 20 -4.78E-07 -9.57E-07 1.48E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 10 1.6 249.77 41.16 1.39E-02 20 -3.83E-07 -1.06E-06 1.58E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 15 1.65 262.03 41.74 1.31E-02 20 -1.43E-07 -1.05E-06 1.51E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 20 1.7 264.91 41.48 1.40E-02 20 -9.84E-08 -1.13E-06 1.60E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 25 1.75 261.56 39.69 1.48E-02 20 -1.78E-07 -1.22E-06 1.64E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 30 1.8 260.59 37.56 1.47E-02 20 -2.01E-07 -1.24E-06 1.55E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 35 1.85 260.69 36.01 1.43E-02 20 -1.99E-07 -1.24E-06 1.46E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 40 1.9 262.42 34.17 1.39E-02 20 -1.61E-07 -1.24E-06 1.35E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 45 1.95 261.49 31.87 1.44E-02 20 -1.91E-07 -1.31E-06 1.31E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 50 2 260.63 31.06 1.42E-02 20 -2.10E-07 -1.30E-06 1.27E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 55 2.05 261.26 32.44 1.44E-02 20 -1.96E-07 -1.31E-06 1.34E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 60 2.1 257.64 33.55 1.57E-02 20 -2.97E-07 -1.39E-06 1.50E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 65 2.15 253.04 33.68 1.56E-02 20 -4.01E-07 -1.34E-06 1.50E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 70 2.2 255.38 33.42 1.64E-02 20 -3.66E-07 -1.43E-06 1.56E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 75 2.25 252.72 33.87 1.68E-02 20 -4.40E-07 -1.45E-06 1.63E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 80 2.3 249.89 36.18 1.69E-02 20 -4.97E-07 -1.39E-06 1.73E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 85 2.35 247.89 38.13 1.64E-02 20 -5.16E-07 -1.30E-06 1.76E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 90 2.4 243.5 39.7 1.50E-02 20 -5.47E-07 -1.12E-06 1.66E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 95 2.45 241.89 42.1 1.27E-02 20 -4.71E-07 -9.02E-07 1.48E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 100 2.5 246.2 42.85 1.29E-02 20 -4.03E-07 -9.35E-07 1.52E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 105 2.55 241.87 42.04 1.38E-02 20 -5.14E-07 -9.84E-07 1.61E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 110 2.6 238.62 38.15 1.54E-02 20 -6.68E-07 -1.12E-06 1.65E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 115 2.65 238.36 35.09 1.73E-02 20 -7.88E-07 -1.31E-06 1.72E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 120 2.7 237.2 35.7 1.58E-02 20 -7.37E-07 -1.17E-06 1.60E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 125 2.75 239.51 35.16 1.31E-02 20 -5.76E-07 -1.00E-06 1.31E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 130 2.8 251.52 30.02 1.50E-02 20 -4.36E-07 -1.34E-06 1.30E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 135 2.85 251.85 29.41 1.56E-02 20 -4.49E-07 -1.40E-06 1.33E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 140 2.9 247.53 28.28 1.51E-02 20 -5.40E-07 -1.34E-06 1.24E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 145 2.95 249.26 24.1 1.80E-02 20 -6.16E-07 -1.66E-06 1.27E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 2 150 3 250.63 28.78 1.29E-02 20 -3.98E-07 -1.16E-06 1.08E-06 03/12/97 Yes Yes 1969 172 1061 C 1 H 3 0 3 260.62 43.06 4.57E-03 20 -5.77E-08 -3.57E-07 5.40E-07 03/12/97 Yes Yes 1971 172 1061 C 1 H 3 5 3.05 252.89 24.6 1.52E-02 20 -4.32E-07 -1.44E-06 1.10E-06 03/12/97 Yes Yes 1971 172 1061 C 1 H 3 10 3.1 258.12 25.82 1.54E-02 20 -3.03E-07 -1.47E-06 1.16E-06 03/12/97 Yes Yes 1971 172 1061 C 1 H 3 15 3.15 261.26 27.89 1.43E-02 20 -2.03E-07 -1.35E-06 1.16E-06 03/12/97 Yes Yes 1971 172 1061 C 1 H 3 20 3.2 264.55 31.17 1.22E-02 20 -1.05E-07 -1.13E-06 1.10E-06 03/12/97 Yes Yes 1971 172 1061 C 1 H 3 25 3.25 263.84 29.25 1.35E-02 20 -1.34E-07 -1.27E-06 1.15E-06 03/12/97 Yes Yes 1971 172 1061 C 1 H 3 30 3.3 262.35 28.62 1.33E-02 20 -1.65E-07 -1.26E-06 1.11E-06 03/12/97 Yes Yes 1971 172 1061 C 1 H 3 35 3.35 262.46 30.43 1.30E-02 20 -1.56E-07 -1.21E-06 1.14E-06 03/12/97 Yes Yes 1971 172 1061 C 1 H 3 40 3.4 260.26 37.42 1.21E-02 20 -1.73E-07 -1.03E-06 1.28E-06 03/12/97 Yes Yes 1971 172 1061 C 1 H 3 45 3.45 254.62 43.06 1.11E-02 20 -2.29E-07 -8.49E-07 1.32E-06 03/12/97 Yes Yes 1971 172 1061 C 1 H 3 50 3.5 257.33 42.96 1.13E-02 20 -1.92E-07 -8.72E-07 1.33E-06 03/12/97 Yes Yes 1971 172 1061 C 1 H 3 55 3.55 257.31 43.75 1.29E-02 20 -2.16E-07 -9.83E-07 1.54E-06 03/12/97 Yes Yes 1971 172 1061 C 1 H 3 60 3.6 251.99 44.5 1.44E-02 20 -3.37E-07 -1.06E-06 1.75E-06 03/12/97 Yes Yes 1971 172 1061 C 1 H 3 65 3.65 246.65 42.97 1.43E-02 20 -4.41E-07 -1.04E-06 1.69E-06 03/12/97 Yes Yes 1971 172 1061 C 1 H 3 70 3.7 247.54 44.09 1.33E-02 20 -3.87E-07 -9.57E-07 1.60E-06 03/12/97 Yes Yes 1971 172 1061 C 1 H 3 75 3.75 245.98 43.3 1.45E-02 20 -4.55E-07 -1.04E-06 1.72E-06 03/12/97 Yes Yes 1971 172 1061 C 1 H 3 80 3.8 242.95 42.75 1.54E-02 20 -5.47E-07 -1.10E-06 1.82E-06 03/12/97 Yes Yes 1971 172 1061 C 1 H 3 85 3.85 247.24 44.03 1.56E-02 20 -4.60E-07 -1.12E-06 1.88E-06 03/12/97 Yes Yes 1971 172 1061 C 1 H 3 90 3.9 252.6 49.43 1.77E-02 20 -3.65E-07 -1.19E-06 2.33E-06 03/12/97 Yes Yes 1971 172 1061 C 1 H 3 95 3.95 232.43 51.12 1.73E-02 20 -7.01E-07 -9.32E-07 2.33E-06 03/12/97 Yes Yes 1971 172 1061 C 1 H 3 100 4 232.58 50.39 1.47E-02 20 -6.05E-07 -8.08E-07 1.97E-06 03/12/97 Yes Yes 1971 172 1061 C 1 H 3 105 4.05 241.76 46.46 1.49E-02 20 -5.15E-07 -9.81E-07 1.87E-06 03/12/97 Yes Yes 1971 172 1061 C 1 H 3 110 4.1 242.49 42.36 1.62E-02 20 -5.86E-07 -1.15E-06 1.89E-06 03/12/97 Yes Yes 1971 172 1061 C 1 H 3 115 4.15 243.77 42.74 1.55E-02 20 -5.33E-07 -1.11E-06 1.82E-06 03/12/97 Yes Yes 1971 172 1061 C 1 H 3 120 4.2 239.18 44.13 1.37E-02 20 -5.35E-07 -9.17E-07 1.66E-06 03/12/97 Yes Yes 1971 172 1061 C 1 H 3 125 4.25 236.74 40.65 1.40E-02 20 -6.19E-07 -9.65E-07 1.58E-06 03/12/97 Yes Yes 1971 172 1061 C 1 H 3 130 4.3 234.45 34.01 1.64E-02 20 -8.38E-07 -1.20E-06 1.59E-06 03/12/97 Yes Yes 1971 172 1061 C 1 H 3 135 4.35 237.15 30.04 1.70E-02 20 -8.45E-07 -1.34E-06 1.47E-06 03/12/97 Yes Yes 1971 172 1061 C 1 H 3 140 4.4 241.21 28.77 1.77E-02 20 -7.94E-07 -1.48E-06 1.48E-06 03/12/97 Yes Yes 1971 172 1061 C 1 H 3 145 4.45 244.19 28.32 1.69E-02 20 -6.87E-07 -1.45E-06 1.39E-06 03/12/97 Yes Yes 1971 172 1061 C 1 H 4 0 4.5 232.16 42.71 4.26E-03 20 -2.04E-07 -2.68E-07 5.01E-07 03/12/97 Yes Yes 1973 172 1061 C 1 H 4 5 4.55 232.53 25.36 1.59E-02 20 -9.27E-07 -1.24E-06 1.18E-06 03/12/97 Yes Yes 1973 172 1061 C 1 H 4 10 4.6 229.97 27.06 1.84E-02 20 -1.12E-06 -1.36E-06 1.45E-06 03/12/97 Yes Yes 1973 172 1061 C 1 H 4 15 4.65 230.34 28.73 1.89E-02 20 -1.12E-06 -1.38E-06 1.57E-06 03/12/97 Yes Yes 1973 172 1061 C 1 H 4 20 4.7 231.25 30.58 1.93E-02 20 -1.10E-06 -1.41E-06 1.70E-06 03/12/97 Yes Yes 1973 172 1061 C 1 H 4 25 4.75 230.07 31.71 1.90E-02 20 -1.10E-06 -1.34E-06 1.73E-06 03/12/97 Yes Yes 1973 172 1061 C 1 H 4 30 4.8 233.32 32.07 1.84E-02 20 -9.89E-07 -1.36E-06 1.70E-06 03/12/97 Yes Yes 1973 172 1061 C 1 H 4 35 4.85 232.55 34.19 1.76E-02 20 -9.37E-07 -1.25E-06 1.71E-06 03/12/97 Yes Yes 1973 172 1061 C 1 H 4 40 4.9 230.3 36.35 1.73E-02 20 -9.41E-07 -1.16E-06 1.77E-06 03/12/97 Yes Yes 1973 172 1061 C 1 H 4 45 4.95 222.88 35.84 1.67E-02 20 -1.05E-06 -1.00E-06 1.70E-06 03/12/97 Yes Yes 1973 172 1061 C 1 H 4 50 5 224.24 30.96 1.67E-02 20 -1.09E-06 -1.08E-06 1.49E-06 03/12/97 Yes Yes 1973 172 1061 C 1 H 4 55 5.05 229.79 27.83 1.68E-02 20 -1.02E-06 -1.23E-06 1.36E-06 03/12/97 Yes Yes 1973 172 1061 C 1 H 4 60 5.1 236.12 24.19 1.55E-02 20 -8.38E-07 -1.28E-06 1.10E-06 03/12/97 Yes Yes 1973 172 1061 C 1 H 4 65 5.15 238.51 21.16 1.32E-02 20 -6.84E-07 -1.14E-06 8.28E-07 03/12/97 Yes Yes 1973 172 1061 C 1 H 4 70 5.2 245.29 18.95 1.01E-02 20 -4.24E-07 -9.41E-07 5.69E-07 03/12/97 Yes Yes 1973 172 1061 C 1 H 4 75 5.25 265.57 26.69 1.02E-02 20 -7.48E-08 -9.87E-07 7.95E-07 03/12/97 Yes Yes 1973 172 1061 C 1 H 4 80 5.3 270.92 34.54 1.23E-02 20 1.72E-08 -1.10E-06 1.21E-06 03/12/97 Yes Yes 1973 172 1061 C 1 H 4 85 5.35 276.58 37.97 1.53E-02 20 1.47E-07 -1.30E-06 1.63E-06 03/12/97 Yes Yes 1973 172 1061 C 1 H 4 90 5.4 279.52 40.8 1.98E-02 20 2.63E-07 -1.60E-06 2.24E-06 03/12/97 Yes Yes 1973 172 1061 C 1 H 4 95 5.45 281.2 44.94 2.53E-02 20 3.70E-07 -1.91E-06 3.10E-06 03/12/97 Yes Yes 1973 172 1061 C 1 H 4 100 5.5 271.31 57.19 2.89E-02 20 3.80E-08 -1.70E-06 4.21E-06 03/12/97 Yes Yes 1973 172 1061 C 1 H 4 105 5.55 239.23 58.5 2.72E-02 20 -7.71E-07 -1.32E-06 4.02E-06 03/12/97 Yes Yes 1973 172 1061 C 1 H 4 110 5.6 243.42 63.12 2.36E-02 20 -5.06E-07 -1.03E-06 3.64E-06 03/12/97 Yes Yes 1973 172 1061 C 1 H 4 115 5.65 116.68 81.96 1.72E-02 20 -1.15E-07 2.34E-07 2.96E-06 03/12/97 Yes Yes 1973 172 1061 C 2 H 1 0 5.8 20.23 85.8 2.11E-03 20 1.54E-08 5.80E-09 3.66E-07 03/12/97 Yes Yes 1975 172 1061 C 2 H 1 5 5.85 126.09 77.23 7.47E-03 20 -1.03E-07 1.45E-07 1.26E-06 03/12/97 Yes Yes 1975 172 1061 C 2 H 1 10 5.9 178.81 56.39 1.19E-02 20 -6.97E-07 1.48E-08 1.71E-06 03/12/97 Yes Yes 1975 172 1061 C 2 H 1 15 5.95 203.05 71.78 1.22E-02 20 -3.71E-07 -1.62E-07 2.00E-06 03/12/97 Yes Yes 1975 172 1061 C 2 H 1 20 6 24.55 75.81 2.06E-02 20 4.86E-07 2.27E-07 3.46E-06 03/12/97 Yes Yes 1975 172 1061 C 2 H 1 25 6.05 308.3 78.21 1.99E-02 20 2.67E-07 -3.46E-07 3.37E-06 03/12/97 Yes Yes 1975 172 1061 C 2 H 1 30 6.1 319.42 62.06 1.85E-02 20 6.97E-07 -6.11E-07 2.83E-06 03/12/97 Yes Yes 1975 172 1061 C 2 H 1 35 6.15 29.54 70.6 1.21E-02 20 3.70E-07 2.14E-07 1.97E-06 03/12/97 Yes Yes 1975 172 1061 C 2 H 1 40 6.2 46.47 60.37 1.10E-02 20 3.98E-07 4.29E-07 1.66E-06 03/12/97 Yes Yes 1975 172 1061 C 2 H 1 45 6.25 334.06 44.45 1.54E-02 20 1.05E-06 -5.21E-07 1.87E-06 03/12/97 Yes Yes 1975 172 1061 C 2 H 1 50 6.3 325.82 40.4 1.98E-02 20 1.32E-06 -9.17E-07 2.22E-06 03/12/97 Yes Yes 1975 172 1061 C 2 H 1 55 6.35 318.2 40.68 1.72E-02 20 1.03E-06 -9.44E-07 1.95E-06 03/12/97 Yes Yes 1975 172 1061 C 2 H 1 60 6.4 321.59 37.16 1.86E-02 20 1.23E-06 -9.98E-07 1.95E-06 03/12/97 Yes Yes 1975 172 1061 C 2 H 1 65 6.45 322.07 36.3 1.79E-02 20 1.21E-06 -9.63E-07 1.84E-06 03/12/97 Yes Yes 1975 172 1061 C 2 H 1 70 6.5 317.86 34.56 1.95E-02 20 1.27E-06 -1.17E-06 1.92E-06 03/12/97 Yes Yes 1975 172 1061 C 2 H 1 75 6.55 315.58 38.74 1.69E-02 20 1.00E-06 -1.00E-06 1.84E-06 03/12/97 Yes Yes 1975 172 1061 C 2 H 1 80 6.6 321.62 38.02 1.77E-02 20 1.16E-06 -9.39E-07 1.89E-06 03/12/97 Yes Yes 1975 172 1061 C 2 H 1 85 6.65 321.67 38.57 1.84E-02 20 1.20E-06 -9.66E-07 1.99E-06 03/12/97 Yes Yes 1975 172 1061 C 2 H 1 90 6.7 318.09 39.75 1.91E-02 20 1.16E-06 -1.06E-06 2.12E-06 03/12/97 Yes Yes 1975 172 1061 C 2 H 1 95 6.75 315.91 40.7 2.04E-02 20 1.18E-06 -1.16E-06 2.30E-06 03/12/97 Yes Yes 1975 172 1061 C 2 H 1 100 6.8 319.11 40.13 2.21E-02 20 1.36E-06 -1.20E-06 2.47E-06 03/12/97 Yes Yes 1975 172 1061 C 2 H 1 105 6.85 320.79 44.23 2.37E-02 20 1.39E-06 -1.16E-06 2.86E-06 03/12/97 Yes Yes 1975 172 1061 C 2 H 1 110 6.9 322.92 45.19 2.42E-02 20 1.44E-06 -1.12E-06 2.98E-06 03/12/97 Yes Yes 1975 172 1061 C 2 H 1 115 6.95 324.64 44 2.31E-02 20 1.44E-06 -1.04E-06 2.78E-06 03/12/97 Yes Yes 1975 172 1061 C 2 H 1 120 7 326.36 43.03 1.78E-02 20 1.15E-06 -7.81E-07 2.10E-06 03/12/97 Yes Yes 1975 172 1061 C 2 H 1 125 7.05 328.36 37.78 1.44E-02 20 1.03E-06 -6.48E-07 1.53E-06 03/12/97 Yes Yes 1975 172 1061 C 2 H 1 130 7.1 330.18 29.65 1.30E-02 20 1.04E-06 -6.08E-07 1.11E-06 03/12/97 Yes Yes 1975 172 1061 C 2 H 1 135 7.15 328.27 20.43 1.41E-02 20 1.19E-06 -7.54E-07 8.54E-07 03/12/97 Yes Yes 1975 172 1061 C 2 H 1 140 7.2 327.82 15.94 1.42E-02 20 1.23E-06 -7.90E-07 6.77E-07 03/12/97 Yes Yes 1975 172 1061 C 2 H 1 145 7.25 329.14 17.3 1.27E-02 20 1.10E-06 -6.74E-07 6.54E-07 03/12/97 Yes Yes 1975 172 1061 C 2 H 2 0 7.3 335.22 20.85 5.91E-03 20 5.32E-07 -2.51E-07 3.65E-07 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 5 7.35 328.59 19.17 1.44E-02 20 1.23E-06 -7.70E-07 8.21E-07 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 10 7.4 324.7 23 1.12E-02 20 8.93E-07 -6.47E-07 7.59E-07 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 15 7.45 322.32 26.3 9.34E-03 20 7.03E-07 -5.55E-07 7.17E-07 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 20 7.5 321.64 31.45 8.38E-03 20 5.95E-07 -4.81E-07 7.58E-07 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 25 7.55 317.02 36.82 9.20E-03 20 5.71E-07 -5.45E-07 9.56E-07 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 30 7.6 321.98 43.76 9.55E-03 20 5.76E-07 -4.61E-07 1.14E-06 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 35 7.65 326.94 47.7 1.08E-02 20 6.44E-07 -4.29E-07 1.38E-06 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 40 7.7 330.9 50.03 1.17E-02 20 6.96E-07 -3.96E-07 1.55E-06 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 45 7.75 335.95 49.32 1.21E-02 20 7.67E-07 -3.50E-07 1.60E-06 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 50 7.8 333.6 43.76 1.37E-02 20 9.37E-07 -4.76E-07 1.64E-06 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 55 7.85 330.55 42.57 1.41E-02 20 9.56E-07 -5.52E-07 1.65E-06 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 60 7.9 329.26 42.69 1.40E-02 20 9.40E-07 -5.72E-07 1.65E-06 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 65 7.95 329.03 41.41 1.58E-02 20 1.08E-06 -6.60E-07 1.81E-06 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 70 8 329.87 40.65 1.71E-02 20 1.19E-06 -7.05E-07 1.93E-06 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 75 8.05 326.55 41.84 1.68E-02 20 1.11E-06 -7.48E-07 1.94E-06 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 80 8.1 320.74 37.71 1.89E-02 20 1.23E-06 -1.02E-06 2.00E-06 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 85 8.15 315.42 38.71 1.86E-02 20 1.09E-06 -1.10E-06 2.01E-06 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 90 8.2 312.15 40.45 1.96E-02 20 1.06E-06 -1.20E-06 2.21E-06 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 95 8.25 314.07 45.69 1.99E-02 20 1.02E-06 -1.08E-06 2.47E-06 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 100 8.3 318.7 51.74 2.03E-02 20 1.00E-06 -8.99E-07 2.76E-06 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 105 8.35 335.84 59.82 1.94E-02 20 9.42E-07 -4.32E-07 2.90E-06 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 110 8.4 342.93 56.75 2.08E-02 20 1.16E-06 -3.63E-07 3.01E-06 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 115 8.45 334.2 54.16 2.32E-02 20 1.30E-06 -6.41E-07 3.26E-06 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 120 8.5 319.09 51.39 2.26E-02 20 1.13E-06 -1.00E-06 3.07E-06 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 125 8.55 312.26 40.24 1.98E-02 20 1.08E-06 -1.21E-06 2.21E-06 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 130 8.6 311.69 34.71 1.91E-02 20 1.11E-06 -1.27E-06 1.89E-06 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 135 8.65 315.34 37.44 1.77E-02 20 1.06E-06 -1.07E-06 1.86E-06 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 140 8.7 318.73 42.33 1.59E-02 20 9.40E-07 -8.43E-07 1.86E-06 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 145 8.75 308.45 38.05 1.53E-02 20 7.93E-07 -1.02E-06 1.63E-06 03/12/97 Yes Yes 1977 172 1061 C 2 H 2 150 8.8 295.7 41.23 8.15E-03 20 2.82E-07 -5.99E-07 9.31E-07 03/12/97 Yes Yes 1977 172 1061 C 2 H 3 0 8.8 302.1 28.66 6.25E-03 20 3.09E-07 -5.04E-07 5.20E-07 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 5 8.85 291.14 21.7 1.79E-02 20 6.36E-07 -1.68E-06 1.15E-06 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 10 8.9 287.85 23.83 1.97E-02 20 5.86E-07 -1.86E-06 1.38E-06 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 15 8.95 285.05 19.9 2.20E-02 20 5.69E-07 -2.17E-06 1.30E-06 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 20 9 284.94 15.54 2.35E-02 20 6.20E-07 -2.38E-06 1.09E-06 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 25 9.05 284.99 14.77 2.06E-02 20 5.46E-07 -2.09E-06 9.09E-07 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 30 9.1 283.17 14.12 1.74E-02 20 4.08E-07 -1.78E-06 7.36E-07 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 35 9.15 281.55 11.94 1.47E-02 20 3.05E-07 -1.53E-06 5.27E-07 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 40 9.2 288.61 6.9 1.17E-02 20 3.94E-07 -1.20E-06 2.45E-07 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 45 9.25 297.12 1.35 1.13E-02 20 5.46E-07 -1.09E-06 4.61E-08 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 50 9.3 304.56 -6.29 1.05E-02 20 6.30E-07 -9.35E-07 -2.00E-07 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 55 9.35 319.9 -0.93 9.28E-03 20 7.53E-07 -6.48E-07 -2.61E-08 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 60 9.4 326.92 20.43 7.40E-03 20 6.16E-07 -4.10E-07 4.48E-07 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 65 9.45 327.23 21.37 9.58E-03 20 7.96E-07 -5.24E-07 6.05E-07 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 70 9.5 320.66 22.5 8.70E-03 20 6.60E-07 -5.53E-07 5.77E-07 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 75 9.55 319.71 17.84 1.03E-02 20 7.93E-07 -6.88E-07 5.47E-07 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 80 9.6 315.4 18.85 1.30E-02 20 9.26E-07 -9.34E-07 7.26E-07 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 85 9.65 319.12 21.42 1.18E-02 20 8.78E-07 -7.77E-07 7.45E-07 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 90 9.7 322.75 20.24 1.33E-02 20 1.05E-06 -8.20E-07 7.98E-07 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 95 9.75 321.58 23.4 1.37E-02 20 1.04E-06 -8.44E-07 9.40E-07 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 100 9.8 317.13 25.57 1.55E-02 20 1.09E-06 -1.03E-06 1.16E-06 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 105 9.85 315.45 28.32 1.67E-02 20 1.11E-06 -1.12E-06 1.38E-06 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 110 9.9 313.77 30.52 1.68E-02 20 1.06E-06 -1.13E-06 1.48E-06 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 115 9.95 310.96 26.16 1.78E-02 20 1.11E-06 -1.31E-06 1.36E-06 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 120 10 314.92 23.14 2.19E-02 20 1.51E-06 -1.54E-06 1.49E-06 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 125 10.05 311.7 25.14 2.33E-02 20 1.49E-06 -1.71E-06 1.72E-06 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 130 10.1 315.49 28.7 2.18E-02 20 1.45E-06 -1.45E-06 1.82E-06 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 135 10.15 319.91 31.15 1.99E-02 20 1.38E-06 -1.19E-06 1.79E-06 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 140 10.2 323.06 30.25 1.86E-02 20 1.36E-06 -1.04E-06 1.62E-06 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 145 10.25 326.46 27.87 1.69E-02 20 1.32E-06 -8.94E-07 1.37E-06 03/12/97 Yes Yes 1979 172 1061 C 2 H 3 150 10.3 322.68 33.3 8.95E-03 20 6.31E-07 -4.92E-07 8.52E-07 03/12/97 Yes Yes 1979 172 1061 C 2 H 4 0 10.3 313.37 30.74 4.44E-03 20 2.78E-07 -3.01E-07 3.94E-07 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 5 10.35 305.88 20.95 1.31E-02 20 7.57E-07 -1.07E-06 8.09E-07 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 10 10.4 306.02 18.72 1.42E-02 20 8.38E-07 -1.18E-06 7.89E-07 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 15 10.45 313.72 16.11 1.67E-02 20 1.18E-06 -1.26E-06 8.03E-07 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 20 10.5 320.18 14.61 1.74E-02 20 1.37E-06 -1.17E-06 7.59E-07 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 25 10.55 328.48 18.85 1.75E-02 20 1.50E-06 -9.42E-07 9.83E-07 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 30 10.6 329.14 22.9 1.82E-02 20 1.53E-06 -9.34E-07 1.23E-06 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 35 10.65 321.78 33.8 2.02E-02 20 1.40E-06 -1.13E-06 1.95E-06 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 40 10.7 304.64 47.45 2.12E-02 20 8.63E-07 -1.28E-06 2.70E-06 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 45 10.75 285.76 49.18 2.26E-02 20 4.26E-07 -1.54E-06 2.97E-06 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 50 10.8 273.83 44.72 2.18E-02 20 1.10E-07 -1.67E-06 2.66E-06 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 55 10.85 275.1 32.67 1.91E-02 20 1.51E-07 -1.73E-06 1.78E-06 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 60 10.9 275.12 19.94 2.36E-02 20 2.10E-07 -2.40E-06 1.40E-06 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 65 10.95 276.75 21.59 2.60E-02 20 3.02E-07 -2.61E-06 1.66E-06 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 70 11 273.65 35.34 2.12E-02 20 1.17E-07 -1.87E-06 2.12E-06 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 75 11.05 279.49 54.26 1.25E-02 20 1.27E-07 -7.78E-07 1.75E-06 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 80 11.1 294.22 41.53 1.43E-02 20 4.67E-07 -1.06E-06 1.65E-06 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 85 11.15 303.15 39.74 1.69E-02 20 7.55E-07 -1.18E-06 1.88E-06 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 90 11.2 304.13 40.46 2.05E-02 20 9.28E-07 -1.40E-06 2.31E-06 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 95 11.25 299.94 35.73 2.35E-02 20 1.01E-06 -1.79E-06 2.38E-06 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 100 11.3 290.24 33.18 2.81E-02 20 8.63E-07 -2.39E-06 2.67E-06 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 105 11.35 280.8 37.28 2.68E-02 20 4.23E-07 -2.27E-06 2.81E-06 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 110 11.4 278.78 43.76 2.40E-02 20 2.81E-07 -1.86E-06 2.88E-06 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 115 11.45 281.54 48.05 2.41E-02 20 3.42E-07 -1.71E-06 3.11E-06 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 120 11.5 286.84 47.8 2.47E-02 20 5.09E-07 -1.72E-06 3.17E-06 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 125 11.55 292.13 48.67 2.23E-02 20 5.88E-07 -1.48E-06 2.90E-06 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 130 11.6 296.82 47.29 1.92E-02 20 6.22E-07 -1.26E-06 2.44E-06 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 135 11.65 289.78 48.95 1.68E-02 20 3.96E-07 -1.13E-06 2.19E-06 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 140 11.7 286.27 45.53 1.21E-02 20 2.51E-07 -8.79E-07 1.49E-06 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 145 11.75 295.12 35.54 9.38E-03 20 3.44E-07 -7.50E-07 9.46E-07 03/12/97 Yes Yes 1981 172 1061 C 2 H 4 150 11.8 305.81 46.61 4.04E-03 20 1.72E-07 -2.44E-07 5.09E-07 03/12/97 Yes Yes 1981 172 1061 C 2 H 5 0 11.8 299.8 33.42 1.26E-03 20 5.52E-08 -9.86E-08 1.20E-07 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 5 11.85 307.37 14.67 5.08E-03 20 3.16E-07 -4.24E-07 2.23E-07 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 10 11.9 318.25 6.55 5.38E-03 20 4.23E-07 -3.86E-07 1.07E-07 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 15 11.95 342.35 -0.79 3.12E-03 20 3.16E-07 -1.03E-07 -7.45E-09 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 20 12 14.06 -4.6 1.97E-03 20 2.02E-07 5.16E-08 -2.74E-08 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 25 12.05 355.83 -5.16 2.66E-03 20 2.80E-07 -2.09E-08 -4.14E-08 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 30 12.1 339.89 -6.1 5.43E-03 20 5.38E-07 -2.01E-07 -1.00E-07 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 35 12.15 334.54 -0.41 8.32E-03 20 7.97E-07 -3.88E-07 -1.03E-08 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 40 12.2 330.45 12.97 7.88E-03 20 7.09E-07 -4.11E-07 3.07E-07 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 45 12.25 316.05 29.69 7.91E-03 20 5.25E-07 -5.17E-07 6.79E-07 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 50 12.3 311.58 21.6 1.07E-02 20 7.03E-07 -8.11E-07 6.86E-07 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 55 12.35 321.76 15.24 1.26E-02 20 1.01E-06 -8.17E-07 5.75E-07 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 60 12.4 326.54 15.25 1.37E-02 20 1.17E-06 -7.92E-07 6.26E-07 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 65 12.45 325.69 17.96 1.32E-02 20 1.10E-06 -7.67E-07 7.05E-07 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 70 12.5 326.42 19.85 1.19E-02 20 9.90E-07 -6.72E-07 7.01E-07 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 75 12.55 330.89 22.02 1.12E-02 20 9.64E-07 -5.49E-07 7.30E-07 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 80 12.6 331.29 23.74 1.09E-02 20 9.26E-07 -5.19E-07 7.59E-07 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 85 12.65 328.67 21.38 1.11E-02 20 9.35E-07 -5.82E-07 7.00E-07 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 90 12.7 324.8 18.49 1.12E-02 20 9.23E-07 -6.66E-07 6.17E-07 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 95 12.75 328.35 17.14 1.15E-02 20 9.89E-07 -6.24E-07 5.86E-07 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 100 12.8 331.56 17.86 1.12E-02 20 9.96E-07 -5.52E-07 5.97E-07 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 105 12.85 335.63 19.34 1.23E-02 20 1.12E-06 -5.18E-07 7.05E-07 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 110 12.9 338.17 25.28 1.25E-02 20 1.12E-06 -4.58E-07 9.29E-07 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 115 12.95 337.23 30.73 1.25E-02 20 1.05E-06 -4.49E-07 1.10E-06 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 120 13 338.56 35.52 1.21E-02 20 9.71E-07 -3.90E-07 1.22E-06 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 125 13.05 342.03 32.43 1.15E-02 20 9.76E-07 -3.24E-07 1.07E-06 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 130 13.1 338.48 24.11 1.26E-02 20 1.13E-06 -4.57E-07 8.91E-07 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 135 13.15 325.47 35.45 1.20E-02 20 8.54E-07 -6.01E-07 1.21E-06 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 140 13.2 307.51 47.36 9.73E-03 20 4.26E-07 -5.67E-07 1.24E-06 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 145 13.25 310.79 40.44 1.32E-02 20 6.96E-07 -8.24E-07 1.48E-06 03/12/97 Yes Yes 1983 172 1061 C 2 H 5 150 13.3 307.04 52.25 8.29E-03 20 3.24E-07 -4.39E-07 1.14E-06 03/12/97 Yes Yes 1983 172 1061 C 2 H 6 0 13.3 316.58 50.11 5.41E-03 20 2.67E-07 -2.59E-07 7.20E-07 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 5 13.35 311.47 46.34 1.34E-02 20 6.50E-07 -7.53E-07 1.68E-06 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 10 13.4 319.97 51.13 1.43E-02 20 7.29E-07 -6.26E-07 1.93E-06 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 15 13.45 315.48 51.72 1.44E-02 20 6.74E-07 -6.77E-07 1.96E-06 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 20 13.5 298.6 52.62 1.43E-02 20 4.39E-07 -8.24E-07 1.96E-06 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 25 13.55 300.75 56.73 1.17E-02 20 3.47E-07 -5.96E-07 1.69E-06 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 30 13.6 323.14 59.63 9.13E-03 20 3.92E-07 -3.00E-07 1.37E-06 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 35 13.65 335.17 56.93 9.19E-03 20 4.83E-07 -2.28E-07 1.34E-06 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 40 13.7 345.61 57.53 8.58E-03 20 4.73E-07 -1.24E-07 1.26E-06 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 45 13.75 351.33 43.33 8.54E-03 20 6.51E-07 -1.01E-07 1.02E-06 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 50 13.8 351.15 38.15 8.64E-03 20 7.12E-07 -1.13E-07 9.25E-07 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 55 13.85 356.14 34.52 7.24E-03 20 6.31E-07 -4.36E-08 7.12E-07 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 60 13.9 355.96 27.97 8.51E-03 20 7.95E-07 -5.74E-08 6.92E-07 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 65 13.95 355.17 31.92 9.09E-03 20 8.15E-07 -7.05E-08 8.33E-07 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 70 14 2.43 36.2 8.28E-03 20 7.08E-07 3.07E-08 8.48E-07 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 75 14.05 0.19 41.61 7.08E-03 20 5.62E-07 1.89E-09 8.16E-07 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 80 14.1 344.57 40.19 7.25E-03 20 5.66E-07 -1.60E-07 8.11E-07 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 85 14.15 332.95 34.95 8.78E-03 20 6.80E-07 -3.55E-07 8.72E-07 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 90 14.2 320.36 36.29 9.10E-03 20 5.99E-07 -5.08E-07 9.34E-07 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 95 14.25 320.88 40.54 6.79E-03 20 4.25E-07 -3.53E-07 7.65E-07 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 100 14.3 328.19 37.42 6.11E-03 20 4.38E-07 -2.78E-07 6.44E-07 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 105 14.35 321.02 33.07 6.42E-03 20 4.44E-07 -3.67E-07 6.07E-07 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 110 14.4 322.53 29.73 5.50E-03 20 4.02E-07 -3.15E-07 4.73E-07 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 115 14.45 345.4 14.2 3.43E-03 20 3.42E-07 -9.10E-08 1.46E-07 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 120 14.5 18.82 -11.06 2.72E-03 20 2.68E-07 9.35E-08 -9.06E-08 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 125 14.55 39.06 -51.2 2.60E-03 20 1.34E-07 1.11E-07 -3.51E-07 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 130 14.6 51.34 -64.9 4.63E-03 20 1.30E-07 1.66E-07 -7.27E-07 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 135 14.65 34.85 -55.56 6.92E-03 20 3.41E-07 2.43E-07 -9.90E-07 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 140 14.7 22.94 -39.12 6.59E-03 20 4.99E-07 2.16E-07 -7.21E-07 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 145 14.75 8.36 -38.74 4.57E-03 20 3.74E-07 5.62E-08 -4.96E-07 03/12/97 Yes Yes 1985 172 1061 C 2 H 6 150 14.8 309.16 -21.07 3.18E-03 20 1.99E-07 -2.49E-07 -1.98E-07 03/12/97 Yes Yes 1985 172 1061 C 2 H 7 0 14.8 266.86 -35.23 1.86E-03 20 -8.84E-09 -1.65E-07 -1.86E-07 03/12/97 Yes Yes 1987 172 1061 C 2 H 7 5 14.85 310.8 -17.89 5.99E-03 20 3.95E-07 -4.68E-07 -3.19E-07 03/12/97 Yes Yes 1987 172 1061 C 2 H 7 10 14.9 325.07 -10.58 7.44E-03 20 6.36E-07 -4.54E-07 -2.37E-07 03/12/97 Yes Yes 1987 172 1061 C 2 H 7 15 14.95 340.52 9.87 9.71E-03 20 9.57E-07 -3.46E-07 2.89E-07 03/12/97 Yes Yes 1987 172 1061 C 2 H 7 20 15 343.75 52.42 1.43E-02 20 8.91E-07 -2.65E-07 1.97E-06 03/12/97 Yes Yes 1987 172 1061 C 2 H 7 25 15.05 249.83 79.39 1.34E-02 20 -9.03E-08 -2.51E-07 2.29E-06 03/12/97 Yes Yes 1987 172 1061 C 2 H 7 30 15.1 320.67 66.34 1.30E-02 20 4.28E-07 -3.59E-07 2.07E-06 03/12/97 Yes Yes 1987 172 1061 C 2 H 7 35 15.15 333.02 52.82 2.00E-02 20 1.14E-06 -5.94E-07 2.76E-06 03/12/97 Yes Yes 1987 172 1061 C 3 H 3 0 18.3 182.93 65.82 9.22E-03 20 -4.00E-07 -2.09E-08 1.46E-06 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 5 18.35 280.8 50.43 1.39E-02 20 1.77E-07 -9.47E-07 1.86E-06 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 10 18.4 288.06 44.28 1.60E-02 20 3.76E-07 -1.18E-06 1.93E-06 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 15 18.45 25.03 54.86 1.19E-02 20 6.61E-07 3.16E-07 1.69E-06 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 20 18.5 26.35 56.37 2.33E-02 20 1.23E-06 6.21E-07 3.36E-06 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 25 18.55 44.74 68.29 2.42E-02 20 6.73E-07 6.82E-07 3.89E-06 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 30 18.6 354.56 75.63 2.28E-02 20 5.97E-07 -5.81E-08 3.83E-06 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 35 18.65 274.53 71.9 2.20E-02 20 5.72E-08 -7.38E-07 3.62E-06 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 40 18.7 217.38 75.89 1.71E-02 20 -3.51E-07 -2.74E-07 2.87E-06 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 45 18.75 106.61 67.75 1.64E-02 20 -1.89E-07 6.46E-07 2.64E-06 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 50 18.8 98.06 65.75 1.56E-02 20 -9.54E-08 6.89E-07 2.47E-06 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 55 18.85 335.96 71.75 1.12E-02 20 3.38E-07 -1.54E-07 1.84E-06 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 60 18.9 9.87 51.11 1.62E-02 20 1.07E-06 1.90E-07 2.19E-06 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 65 18.95 22.72 56.23 1.63E-02 20 8.84E-07 3.79E-07 2.34E-06 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 70 19 16.33 81.88 8.39E-03 20 1.21E-07 3.62E-08 1.44E-06 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 75 19.05 191.97 51.25 4.47E-03 20 -2.90E-07 -6.29E-08 6.04E-07 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 80 19.1 4.3 52.42 6.23E-03 20 4.02E-07 3.09E-08 8.56E-07 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 85 19.15 18.86 38.71 1.95E-02 20 1.53E-06 5.35E-07 2.12E-06 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 90 19.2 21.38 42.5 2.27E-02 20 1.66E-06 6.63E-07 2.66E-06 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 95 19.25 21.86 40.98 2.45E-02 20 1.82E-06 7.46E-07 2.78E-06 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 100 19.3 20.56 38.73 2.45E-02 20 1.90E-06 7.29E-07 2.66E-06 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 105 19.35 21.47 36.26 2.32E-02 20 1.85E-06 7.44E-07 2.38E-06 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 110 19.4 23.94 36.26 2.08E-02 20 1.63E-06 7.40E-07 2.14E-06 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 115 19.45 26.5 33.2 2.28E-02 20 1.81E-06 9.25E-07 2.17E-06 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 120 19.5 26.09 34.66 2.35E-02 20 1.84E-06 9.21E-07 2.31E-06 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 125 19.55 20.49 37.94 2.31E-02 20 1.81E-06 6.93E-07 2.47E-06 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 130 19.6 22.09 44.17 2.43E-02 20 1.71E-06 7.11E-07 2.94E-06 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 135 19.65 34.85 53.36 2.41E-02 20 1.25E-06 8.90E-07 3.35E-06 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 140 19.7 36.84 54.62 2.36E-02 20 1.16E-06 8.89E-07 3.34E-06 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 145 19.75 37.35 55.19 1.96E-02 20 9.45E-07 7.37E-07 2.79E-06 03/12/97 Yes Yes 1989 172 1061 C 3 H 3 150 19.8 68.07 74.94 7.65E-03 20 7.88E-08 2.00E-07 1.28E-06 03/12/97 Yes Yes 1989 172 1061 C 3 H 2 0 16.8 19.17 51.48 1.27E-02 20 7.92E-07 2.82E-07 1.72E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 5 16.85 30.89 51.11 2.15E-02 20 1.23E-06 7.51E-07 2.90E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 10 16.9 34.68 58.22 2.11E-02 20 9.70E-07 6.87E-07 3.11E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 15 16.95 49.8 71.25 1.77E-02 20 3.90E-07 4.72E-07 2.91E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 20 17 66.99 71.41 1.89E-02 20 2.49E-07 6.00E-07 3.10E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 25 17.05 39.46 55.53 2.34E-02 20 1.08E-06 9.12E-07 3.34E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 30 17.1 18.19 42.73 2.60E-02 20 1.92E-06 6.46E-07 3.06E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 35 17.15 14.51 43.27 2.34E-02 20 1.75E-06 4.63E-07 2.78E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 40 17.2 17.41 44.77 2.12E-02 20 1.53E-06 4.89E-07 2.59E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 45 17.25 14.13 47.39 1.97E-02 20 1.37E-06 3.53E-07 2.51E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 50 17.3 15.35 45.53 2.00E-02 20 1.43E-06 4.02E-07 2.47E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 55 17.35 18.72 41.1 2.20E-02 20 1.66E-06 5.76E-07 2.50E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 60 17.4 22.04 45.71 2.18E-02 20 1.49E-06 6.19E-07 2.70E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 65 17.45 28.99 58.02 2.20E-02 20 1.08E-06 6.12E-07 3.23E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 70 17.5 42.47 67.56 2.25E-02 20 6.73E-07 6.30E-07 3.61E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 75 17.55 41.5 64.6 2.26E-02 20 7.70E-07 6.97E-07 3.54E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 80 17.6 34.88 60.61 2.37E-02 20 1.01E-06 7.21E-07 3.58E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 85 17.65 32.01 55.94 2.63E-02 20 1.33E-06 8.48E-07 3.78E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 90 17.7 25.27 55.59 2.69E-02 20 1.46E-06 7.05E-07 3.85E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 95 17.75 21.73 54.63 2.58E-02 20 1.47E-06 5.99E-07 3.64E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 100 17.8 19.7 49.51 2.58E-02 20 1.68E-06 6.13E-07 3.41E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 105 17.85 22.44 43.95 2.69E-02 20 1.90E-06 8.02E-07 3.24E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 110 17.9 19.62 40.6 2.65E-02 20 2.01E-06 7.33E-07 2.99E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 115 17.95 15.11 43.77 1.97E-02 20 1.46E-06 4.03E-07 2.37E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 120 18 12.86 45.9 1.28E-02 20 9.20E-07 2.15E-07 1.59E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 125 18.05 20.68 42.28 1.23E-02 20 9.06E-07 3.50E-07 1.44E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 130 18.1 30.98 41.25 1.70E-02 20 1.16E-06 7.13E-07 1.94E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 135 18.15 24.53 46.67 2.02E-02 20 1.34E-06 6.23E-07 2.54E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 140 18.2 21.38 49.39 1.87E-02 20 1.21E-06 4.83E-07 2.47E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 145 18.25 22.99 45.75 1.63E-02 20 1.11E-06 4.81E-07 2.02E-06 03/12/97 Yes Yes 1991 172 1061 C 3 H 2 150 18.3 32.4 69.71 5.66E-03 20 1.76E-07 1.14E-07 9.20E-07 03/12/97 Yes Yes 1991 172 1061 C 3 H 3 0 18.3 7.01 35.79 1.13E-02 20 9.66E-07 1.21E-07 1.15E-06 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 5 18.35 14.37 41.58 1.44E-02 20 1.11E-06 2.91E-07 1.66E-06 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 10 18.4 14.56 51.26 9.62E-03 20 6.18E-07 1.64E-07 1.30E-06 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 15 18.45 13.56 41.01 1.44E-02 20 1.12E-06 2.76E-07 1.64E-06 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 20 18.5 16.94 43.27 1.75E-02 20 1.29E-06 4.02E-07 2.08E-06 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 25 18.55 15.01 46.77 1.76E-02 20 1.24E-06 3.39E-07 2.23E-06 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 30 18.6 4.79 49.25 1.58E-02 20 1.09E-06 9.33E-08 2.07E-06 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 35 18.65 0.3 50.96 1.48E-02 20 9.89E-07 5.33E-09 1.99E-06 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 40 18.7 5.49 50.08 1.44E-02 20 9.75E-07 9.58E-08 1.91E-06 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 45 18.75 8.46 48.84 1.44E-02 20 9.92E-07 1.51E-07 1.87E-06 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 50 18.8 10.17 46.47 1.49E-02 20 1.07E-06 1.97E-07 1.88E-06 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 55 18.85 11.83 42.06 1.73E-02 20 1.34E-06 2.86E-07 2.01E-06 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 60 18.9 16.18 42.03 1.67E-02 20 1.26E-06 3.75E-07 1.94E-06 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 65 18.95 19.5 46.44 1.30E-02 20 8.99E-07 3.26E-07 1.64E-06 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 70 19 20.05 49.39 1.16E-02 20 7.49E-07 2.80E-07 1.52E-06 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 75 19.05 21.88 48.65 1.14E-02 20 7.39E-07 3.03E-07 1.48E-06 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 80 19.1 19.83 45.07 1.24E-02 20 8.76E-07 3.23E-07 1.53E-06 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 85 19.15 15.96 42.23 1.25E-02 20 9.47E-07 2.77E-07 1.46E-06 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 90 19.2 7.24 39.78 1.00E-02 20 8.12E-07 1.05E-07 1.11E-06 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 95 19.25 15.53 29.87 8.94E-03 20 7.92E-07 2.25E-07 7.72E-07 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 100 19.3 36.43 18.78 1.09E-02 20 8.83E-07 6.66E-07 6.10E-07 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 105 19.35 44.65 22.28 1.09E-02 20 7.60E-07 7.68E-07 7.16E-07 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 110 19.4 44.72 31.74 7.88E-03 20 5.05E-07 5.11E-07 7.19E-07 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 115 19.45 39.51 41.44 6.31E-03 20 3.87E-07 3.26E-07 7.24E-07 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 120 19.5 33.27 42.3 5.62E-03 20 3.69E-07 2.47E-07 6.56E-07 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 125 19.55 35.43 38.08 5.47E-03 20 3.72E-07 2.71E-07 5.85E-07 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 130 19.6 36.06 34.24 5.67E-03 20 4.02E-07 2.99E-07 5.53E-07 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 135 19.65 32.55 32.47 6.15E-03 20 4.64E-07 3.03E-07 5.72E-07 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 140 19.7 22.96 28.88 7.13E-03 20 6.10E-07 2.64E-07 5.97E-07 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 145 19.75 21.49 25.96 7.32E-03 20 6.50E-07 2.61E-07 5.55E-07 03/12/97 Yes Yes 1993 172 1061 C 3 H 3 150 19.8 26.57 43.65 2.30E-03 20 1.58E-07 8.09E-08 2.76E-07 03/12/97 Yes Yes 1993 172 1061 C 3 H 4 0 19.8 29.38 24.96 6.17E-03 20 5.17E-07 2.97E-07 4.51E-07 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 5 19.85 38.36 32.72 8.54E-03 20 5.97E-07 4.83E-07 8.00E-07 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 10 19.9 38.46 44.58 7.11E-03 20 4.21E-07 3.42E-07 8.65E-07 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 15 19.95 28.99 48.16 6.04E-03 20 3.74E-07 2.12E-07 7.80E-07 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 20 20 16.64 42.84 7.66E-03 20 5.71E-07 1.74E-07 9.03E-07 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 25 20.05 23.7 45.67 7.07E-03 20 4.80E-07 2.15E-07 8.76E-07 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 30 20.1 23.22 38.75 6.58E-03 20 5.00E-07 2.19E-07 7.14E-07 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 35 20.15 24.18 38.24 6.15E-03 20 4.67E-07 2.15E-07 6.60E-07 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 40 20.2 28.16 40.99 5.65E-03 20 3.99E-07 2.18E-07 6.42E-07 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 45 20.25 32.51 36.92 5.92E-03 20 4.23E-07 2.76E-07 6.16E-07 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 50 20.3 31.1 39 5.34E-03 20 3.77E-07 2.32E-07 5.82E-07 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 55 20.35 19.7 41.82 4.66E-03 20 3.46E-07 1.27E-07 5.38E-07 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 60 20.4 25.38 32.02 6.70E-03 20 5.44E-07 2.64E-07 6.16E-07 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 65 20.45 30.41 23.68 9.96E-03 20 8.34E-07 5.01E-07 6.93E-07 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 70 20.5 28.69 21.8 9.99E-03 20 8.63E-07 4.83E-07 6.43E-07 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 75 20.55 23.9 16.66 9.33E-03 20 8.66E-07 3.93E-07 4.64E-07 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 80 20.6 25.1 13.92 1.11E-02 20 1.04E-06 4.98E-07 4.65E-07 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 85 20.65 25.6 19.29 1.01E-02 20 9.16E-07 4.48E-07 5.81E-07 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 90 20.7 27.08 23.26 9.43E-03 20 8.18E-07 4.28E-07 6.46E-07 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 95 20.75 28.26 24.26 1.07E-02 20 9.11E-07 5.01E-07 7.62E-07 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 100 20.8 31.24 27.16 1.26E-02 20 1.02E-06 6.31E-07 9.97E-07 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 105 20.85 37.06 31.08 1.36E-02 20 9.88E-07 7.63E-07 1.22E-06 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 110 20.9 42.07 35.99 1.29E-02 20 8.20E-07 7.56E-07 1.31E-06 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 115 20.95 46.35 45.82 9.12E-03 20 4.66E-07 4.99E-07 1.13E-06 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 120 21 42.25 45.27 8.31E-03 20 4.59E-07 4.27E-07 1.02E-06 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 125 21.05 40.4 42.45 8.99E-03 20 5.36E-07 4.66E-07 1.05E-06 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 130 21.1 39.32 44.24 8.30E-03 20 4.88E-07 4.09E-07 1.00E-06 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 135 21.15 34.11 33.81 9.64E-03 20 7.03E-07 4.87E-07 9.29E-07 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 140 21.2 34.01 26.37 1.25E-02 20 9.87E-07 6.81E-07 9.65E-07 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 145 21.25 30.69 25.39 1.40E-02 20 1.15E-06 7.00E-07 1.04E-06 03/12/97 Yes Yes 1995 172 1061 C 3 H 4 150 21.3 17.7 41.78 5.33E-03 20 4.02E-07 1.31E-07 6.16E-07 03/12/97 Yes Yes 1995 172 1061 C 3 H 5 0 21.3 11.42 24.97 9.15E-03 20 8.63E-07 1.78E-07 6.70E-07 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 5 21.35 14.7 27.87 1.34E-02 20 1.21E-06 3.25E-07 1.08E-06 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 10 21.4 11.39 30.58 1.23E-02 20 1.10E-06 2.27E-07 1.09E-06 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 15 21.45 10.31 30.75 1.28E-02 20 1.15E-06 2.14E-07 1.14E-06 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 20 21.5 12.3 37.35 1.16E-02 20 9.59E-07 2.14E-07 1.22E-06 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 25 21.55 10.27 40.64 9.78E-03 20 7.75E-07 1.44E-07 1.10E-06 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 30 21.6 7.7 42.66 1.10E-02 20 8.49E-07 1.17E-07 1.29E-06 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 35 21.65 9.23 43.42 1.28E-02 20 9.72E-07 1.61E-07 1.52E-06 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 40 21.7 6.69 44.09 1.44E-02 20 1.09E-06 1.31E-07 1.74E-06 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 45 21.75 2.36 43.85 1.44E-02 20 1.10E-06 4.63E-08 1.73E-06 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 50 21.8 7.1 45.29 1.39E-02 20 1.03E-06 1.31E-07 1.71E-06 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 55 21.85 7.82 38.76 1.45E-02 20 1.19E-06 1.67E-07 1.57E-06 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 60 21.9 10.86 31.69 1.61E-02 20 1.43E-06 2.80E-07 1.46E-06 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 65 21.95 13.27 31.21 1.33E-02 20 1.17E-06 2.83E-07 1.19E-06 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 70 22 12.51 32.41 1.14E-02 20 9.97E-07 2.26E-07 1.06E-06 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 75 22.05 14.31 33.17 1.15E-02 20 9.88E-07 2.58E-07 1.09E-06 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 80 22.1 14.28 34.61 1.08E-02 20 9.10E-07 2.37E-07 1.06E-06 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 85 22.15 19.09 32.13 1.16E-02 20 9.85E-07 3.49E-07 1.07E-06 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 90 22.2 22.8 32.2 1.21E-02 20 9.99E-07 4.30E-07 1.12E-06 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 95 22.25 26.54 30.57 1.15E-02 20 9.41E-07 4.80E-07 1.02E-06 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 100 22.3 29.29 27.66 1.11E-02 20 9.08E-07 5.21E-07 8.92E-07 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 105 22.35 35.32 31.29 8.83E-03 20 6.53E-07 4.73E-07 7.95E-07 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 110 22.4 39.01 29.73 7.72E-03 20 5.53E-07 4.58E-07 6.64E-07 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 115 22.45 40.86 23.29 8.86E-03 20 6.53E-07 5.77E-07 6.07E-07 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 120 22.5 40.26 20.6 9.72E-03 20 7.36E-07 6.38E-07 5.93E-07 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 125 22.55 38.14 20.06 9.57E-03 20 7.50E-07 6.02E-07 5.69E-07 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 130 22.6 38.51 20.24 1.04E-02 20 8.09E-07 6.58E-07 6.23E-07 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 135 22.65 37.67 21.05 1.14E-02 20 8.92E-07 7.04E-07 7.09E-07 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 140 22.7 38.61 26.48 1.01E-02 20 7.51E-07 6.13E-07 7.83E-07 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 145 22.75 43.47 29.75 9.78E-03 20 6.53E-07 6.33E-07 8.41E-07 03/12/97 Yes Yes 1997 172 1061 C 3 H 5 150 22.8 53.73 43.56 4.17E-03 20 1.90E-07 2.64E-07 4.98E-07 03/12/97 Yes Yes 1997 172 1061 C 3 H 6 0 22.8 29.77 26.39 8.67E-03 20 7.15E-07 4.18E-07 6.68E-07 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 5 22.85 33.18 28.13 1.28E-02 20 1.00E-06 6.71E-07 1.05E-06 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 10 22.9 37.15 31.76 1.07E-02 20 7.73E-07 5.99E-07 9.81E-07 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 15 22.95 38.79 31.25 1.09E-02 20 7.72E-07 6.35E-07 9.83E-07 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 20 23 39.09 34.11 9.06E-03 20 6.17E-07 5.13E-07 8.81E-07 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 25 23.05 39.03 34.09 8.38E-03 20 5.72E-07 4.74E-07 8.15E-07 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 30 23.1 40.91 33.64 8.04E-03 20 5.37E-07 4.76E-07 7.72E-07 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 35 23.15 40.15 33.56 7.10E-03 20 4.80E-07 4.14E-07 6.81E-07 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 40 23.2 38.4 31.36 7.26E-03 20 5.15E-07 4.18E-07 6.55E-07 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 45 23.25 40.15 31.27 7.19E-03 20 4.98E-07 4.29E-07 6.47E-07 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 50 23.3 40.65 35.13 5.14E-03 20 3.38E-07 2.97E-07 5.13E-07 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 55 23.35 38.48 33.02 5.12E-03 20 3.56E-07 2.90E-07 4.83E-07 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 60 23.4 39.16 23.63 6.76E-03 20 5.09E-07 4.24E-07 4.70E-07 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 65 23.45 36.89 18.02 8.69E-03 20 7.01E-07 5.38E-07 4.66E-07 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 70 23.5 37.35 24.4 6.59E-03 20 5.06E-07 3.95E-07 4.72E-07 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 75 23.55 39.22 25.94 4.99E-03 20 3.69E-07 3.08E-07 3.79E-07 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 80 23.6 39.67 24.33 5.75E-03 20 4.28E-07 3.63E-07 4.11E-07 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 85 23.65 41.47 30.93 4.71E-03 20 3.21E-07 2.90E-07 4.19E-07 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 90 23.7 42.72 32.29 4.47E-03 20 2.94E-07 2.78E-07 4.14E-07 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 95 23.75 41.77 30.06 5.06E-03 20 3.47E-07 3.17E-07 4.40E-07 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 100 23.8 34.4 33.01 5.23E-03 20 3.84E-07 2.69E-07 4.94E-07 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 105 23.85 31.71 32.54 6.39E-03 20 4.86E-07 3.07E-07 5.96E-07 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 110 23.9 32.43 33.76 7.68E-03 20 5.72E-07 3.71E-07 7.40E-07 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 115 23.95 32.22 39.18 6.86E-03 20 4.77E-07 3.08E-07 7.52E-07 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 120 24 33.49 46.81 5.66E-03 20 3.43E-07 2.32E-07 7.15E-07 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 125 24.05 24.82 45.87 6.18E-03 20 4.14E-07 1.96E-07 7.69E-07 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 130 24.1 9.25 51.58 7.16E-03 20 4.66E-07 7.76E-08 9.72E-07 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 135 24.15 6.01 51.05 8.73E-03 20 5.79E-07 6.23E-08 1.18E-06 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 140 24.2 14.95 47.93 1.05E-02 20 7.23E-07 1.97E-07 1.35E-06 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 145 24.25 13.05 52.76 9.09E-03 20 5.68E-07 1.35E-07 1.25E-06 03/12/97 Yes Yes 1999 172 1061 C 3 H 6 150 24.3 344.19 71.81 4.04E-03 20 1.29E-07 -3.72E-08 6.65E-07 03/12/97 Yes Yes 1999 172 1061 C 3 H 7 0 24.3 0.21 45.09 3.09E-03 20 2.31E-07 8.87E-10 3.79E-07 03/12/97 Yes Yes 2001 172 1061 C 3 H 7 5 24.35 7.61 44.97 5.44E-03 20 4.04E-07 5.52E-08 6.66E-07 03/12/97 Yes Yes 2001 172 1061 C 3 H 7 10 24.4 9.7 43.03 6.08E-03 20 4.64E-07 8.11E-08 7.19E-07 03/12/97 Yes Yes 2001 172 1061 C 3 H 7 15 24.45 9.97 46.13 6.33E-03 20 4.58E-07 8.23E-08 7.90E-07 03/12/97 Yes Yes 2001 172 1061 C 3 H 7 20 24.5 17.79 53.18 5.83E-03 20 3.53E-07 1.16E-07 8.09E-07 03/12/97 Yes Yes 2001 172 1061 C 3 H 7 25 24.55 31.26 47.84 5.88E-03 20 3.58E-07 2.22E-07 7.56E-07 03/12/97 Yes Yes 2001 172 1061 C 3 H 7 30 24.6 31.39 42.01 7.49E-03 20 5.04E-07 3.14E-07 8.69E-07 03/12/97 Yes Yes 2001 172 1061 C 3 H 7 35 24.65 33.49 42.93 1.02E-02 20 6.63E-07 4.48E-07 1.21E-06 03/12/97 Yes Yes 2001 172 1061 C 3 H 7 40 24.7 39.68 38.97 9.81E-03 20 6.23E-07 5.28E-07 1.07E-06 03/12/97 Yes Yes 2001 172 1061 C 3 H 7 45 24.75 25.33 28.81 1.21E-02 20 1.01E-06 4.90E-07 1.01E-06 03/12/97 Yes Yes 2001 172 1061 C 3 H 7 50 24.8 19.2 51.16 1.51E-02 20 9.51E-07 3.39E-07 2.04E-06 03/12/97 Yes Yes 2001 172 1061 C 4 H 1 0 24.8 358.07 49.07 9.20E-03 20 6.39E-07 -2.20E-08 1.21E-06 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 5 24.85 348.82 41.64 2.57E-02 20 2.00E-06 -4.04E-07 2.96E-06 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 10 24.9 338.55 42.43 3.25E-02 20 2.37E-06 -9.51E-07 3.80E-06 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 15 24.95 336.65 45.67 3.31E-02 20 2.25E-06 -9.95E-07 4.11E-06 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 20 25 343.2 46.64 3.39E-02 20 2.36E-06 -7.29E-07 4.27E-06 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 25 25.05 343.54 41.09 3.31E-02 20 2.54E-06 -7.67E-07 3.77E-06 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 30 25.1 342.24 36.26 3.34E-02 20 2.72E-06 -8.92E-07 3.43E-06 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 35 25.15 343.41 33.54 3.55E-02 20 3.01E-06 -9.16E-07 3.40E-06 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 40 25.2 342.03 36.52 3.12E-02 20 2.53E-06 -8.38E-07 3.22E-06 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 45 25.25 342.89 29.63 3.24E-02 20 2.85E-06 -8.98E-07 2.78E-06 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 50 25.3 339.6 24.15 3.52E-02 20 3.19E-06 -1.21E-06 2.50E-06 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 55 25.35 337.48 24.82 3.31E-02 20 2.94E-06 -1.25E-06 2.41E-06 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 60 25.4 337.19 27.78 2.96E-02 20 2.56E-06 -1.10E-06 2.39E-06 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 65 25.45 336.92 30.36 2.59E-02 20 2.18E-06 -9.51E-07 2.27E-06 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 70 25.5 336.75 33.07 2.18E-02 20 1.78E-06 -7.81E-07 2.06E-06 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 75 25.55 334.03 31.9 1.98E-02 20 1.60E-06 -7.98E-07 1.81E-06 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 80 25.6 331.52 29.01 2.05E-02 20 1.67E-06 -9.25E-07 1.72E-06 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 85 25.65 331.57 29.7 1.81E-02 20 1.47E-06 -8.12E-07 1.55E-06 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 90 25.7 329.96 32.21 1.46E-02 20 1.13E-06 -6.70E-07 1.35E-06 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 95 25.75 331.38 29.64 1.54E-02 20 1.24E-06 -6.95E-07 1.32E-06 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 100 25.8 333.73 27.92 1.71E-02 20 1.43E-06 -7.23E-07 1.38E-06 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 105 25.85 341.3 31.08 1.42E-02 20 1.22E-06 -4.21E-07 1.27E-06 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 110 25.9 347.43 33.93 1.24E-02 20 1.06E-06 -2.42E-07 1.20E-06 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 115 25.95 349.11 37.25 1.20E-02 20 9.98E-07 -1.96E-07 1.26E-06 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 120 26 348.96 37.79 1.34E-02 20 1.10E-06 -2.19E-07 1.42E-06 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 125 26.05 347.15 40.19 1.37E-02 20 1.08E-06 -2.52E-07 1.53E-06 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 130 26.1 342.69 44.06 9.87E-03 20 7.18E-07 -2.29E-07 1.19E-06 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 135 26.15 346.21 35.05 9.67E-03 20 8.16E-07 -2.05E-07 9.63E-07 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 140 26.2 347.4 35.1 9.51E-03 20 8.05E-07 -1.84E-07 9.48E-07 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 145 26.25 342.06 43.85 5.43E-03 20 3.95E-07 -1.31E-07 6.52E-07 03/12/97 Yes Yes 2003 172 1061 C 4 H 1 150 26.3 16.7 55.54 2.29E-03 20 1.32E-07 4.04E-08 3.28E-07 03/12/97 Yes Yes 2003 172 1061 C 4 H 2 0 26.3 5.23 23.28 1.45E-03 20 1.41E-07 1.32E-08 9.95E-08 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 5 26.35 1.8 29.16 2.02E-03 20 1.87E-07 6.02E-09 1.71E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 10 26.4 3.31 38.67 1.44E-03 20 1.19E-07 7.06E-09 1.56E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 15 26.45 7.26 41.07 1.13E-03 20 8.98E-08 1.17E-08 1.29E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 20 26.5 4.98 41.64 9.55E-04 20 7.54E-08 6.72E-09 1.10E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 25 26.55 4.92 40.53 9.70E-04 20 7.79E-08 6.86E-09 1.09E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 30 26.6 3.34 37.4 1.07E-03 20 9.03E-08 5.38E-09 1.13E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 35 26.65 16.4 42.55 1.01E-03 20 7.56E-08 2.27E-08 1.18E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 40 26.7 10.56 44.83 1.08E-03 20 7.95E-08 1.52E-08 1.31E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 45 26.75 4.84 42.21 1.26E-03 20 9.83E-08 8.51E-09 1.46E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 50 26.8 3.78 40.76 1.26E-03 20 1.01E-07 6.81E-09 1.42E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 55 26.85 0.51 39.61 1.28E-03 20 1.04E-07 9.52E-10 1.41E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 60 26.9 3.91 41.99 1.13E-03 20 8.87E-08 6.20E-09 1.31E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 65 26.95 11.73 41.49 1.09E-03 20 8.48E-08 1.80E-08 1.25E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 70 27 13.36 42.56 1.16E-03 20 8.78E-08 2.13E-08 1.35E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 75 27.05 3.2 42.15 1.31E-03 20 1.03E-07 5.89E-09 1.53E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 80 27.1 10.63 44.42 1.50E-03 20 1.12E-07 2.14E-08 1.82E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 85 27.15 15.21 53.75 1.49E-03 20 9.03E-08 2.51E-08 2.09E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 90 27.2 4.43 58.47 1.60E-03 20 8.86E-08 7.02E-09 2.37E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 95 27.25 359.3 52.22 1.86E-03 20 1.21E-07 -1.51E-09 2.55E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 100 27.3 355.23 41.94 2.28E-03 20 1.80E-07 -1.53E-08 2.65E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 105 27.35 354.47 34.79 2.51E-03 20 2.18E-07 -2.16E-08 2.49E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 110 27.4 359.8 33.04 2.76E-03 20 2.45E-07 -8.63E-10 2.60E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 115 27.45 357.34 36.68 2.68E-03 20 2.28E-07 -1.08E-08 2.78E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 120 27.5 358.54 39.41 2.62E-03 20 2.15E-07 -5.61E-09 2.89E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 125 27.55 359.72 44.21 2.57E-03 20 1.95E-07 -9.94E-10 3.11E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 130 27.6 355.24 49.84 2.38E-03 20 1.62E-07 -1.38E-08 3.15E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 135 27.65 347.49 49.05 2.19E-03 20 1.49E-07 -3.38E-08 2.87E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 140 27.7 346.07 40 2.73E-03 20 2.15E-07 -5.45E-08 3.04E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 145 27.75 351.21 28.47 3.70E-03 20 3.41E-07 -5.38E-08 3.05E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 2 150 27.8 356.59 26.6 3.13E-03 20 2.97E-07 -1.81E-08 2.43E-07 03/12/97 Yes Yes 2005 172 1061 C 4 H 3 0 27.8 346.76 34.22 3.19E-03 20 2.73E-07 -6.56E-08 3.12E-07 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 5 27.85 348.38 31.99 8.14E-03 20 7.17E-07 -1.51E-07 7.48E-07 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 10 27.9 351.79 34.67 8.67E-03 20 7.49E-07 -1.10E-07 8.55E-07 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 15 27.95 354.11 40.53 6.12E-03 20 4.91E-07 -5.18E-08 6.90E-07 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 20 28 354.3 51.67 3.08E-03 20 2.02E-07 -2.06E-08 4.19E-07 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 25 28.05 352.89 50.37 2.18E-03 20 1.46E-07 -1.87E-08 2.91E-07 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 30 28.1 342.96 58.55 1.20E-03 20 6.33E-08 -1.99E-08 1.77E-07 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 35 28.15 355.88 45.98 1.05E-03 20 7.72E-08 -5.68E-09 1.31E-07 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 40 28.2 6.06 40.43 1.09E-03 20 8.78E-08 9.53E-09 1.23E-07 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 45 28.25 10.46 42.68 1.03E-03 20 7.88E-08 1.49E-08 1.21E-07 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 50 28.3 7.14 49.05 1.03E-03 20 7.12E-08 9.13E-09 1.35E-07 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 55 28.35 16.01 52.39 1.02E-03 20 6.34E-08 1.86E-08 1.40E-07 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 60 28.4 22.89 47.43 1.11E-03 20 7.35E-08 3.17E-08 1.42E-07 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 65 28.45 20.27 43.65 1.40E-03 20 1.01E-07 3.80E-08 1.67E-07 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 70 28.5 14.79 50.92 1.73E-03 20 1.12E-07 3.02E-08 2.33E-07 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 75 28.55 8.77 53.54 1.94E-03 20 1.21E-07 1.91E-08 2.71E-07 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 80 28.6 6.43 38.73 3.10E-03 20 2.54E-07 2.93E-08 3.36E-07 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 85 28.65 359.97 35.67 3.37E-03 20 2.91E-07 -1.54E-10 3.41E-07 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 90 28.7 350.26 35.1 2.35E-03 20 2.01E-07 -3.53E-08 2.35E-07 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 95 28.75 349.59 50.57 1.17E-03 20 7.75E-08 -1.46E-08 1.57E-07 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 100 28.8 353.22 70.9 6.38E-04 20 2.20E-08 -2.68E-09 1.05E-07 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 105 28.85 2 48.02 6.27E-04 20 4.45E-08 1.59E-09 8.08E-08 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 110 28.9 351.42 36.3 9.40E-04 20 7.95E-08 -1.23E-08 9.65E-08 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 115 28.95 359.68 41.81 1.04E-03 20 8.23E-08 -4.68E-10 1.20E-07 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 120 29 356.13 51 1.32E-03 20 8.80E-08 -6.08E-09 1.78E-07 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 125 29.05 352.99 61.12 1.41E-03 20 7.18E-08 -9.03E-09 2.14E-07 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 130 29.1 352.21 55.96 2.18E-03 20 1.28E-07 -1.79E-08 3.13E-07 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 135 29.15 354.82 43.25 4.58E-03 20 3.52E-07 -3.26E-08 5.44E-07 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 140 29.2 352.42 42.01 7.31E-03 20 5.71E-07 -7.77E-08 8.48E-07 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 145 29.25 352.46 45.07 6.90E-03 20 5.12E-07 -6.93E-08 8.47E-07 03/12/97 Yes Yes 2007 172 1061 C 4 H 3 150 29.3 349.15 57.24 3.01E-03 20 1.70E-07 -3.33E-08 4.39E-07 03/12/97 Yes Yes 2007 172 1061 C 4 H 4 0 29.3 14.77 63.82 5.50E-04 20 2.49E-08 6.70E-09 8.55E-08 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 5 29.35 331.11 61.28 1.27E-03 20 5.68E-08 -3.20E-08 1.94E-07 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 10 29.4 332.83 47.4 2.67E-03 20 1.71E-07 -8.96E-08 3.41E-07 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 15 29.45 334.59 43.41 4.55E-03 20 3.17E-07 -1.54E-07 5.42E-07 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 20 29.5 335.45 55.1 3.17E-03 20 1.75E-07 -8.16E-08 4.50E-07 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 25 29.55 335.87 68.91 1.59E-03 20 5.52E-08 -2.53E-08 2.56E-07 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 30 29.6 1.64 55.32 1.24E-03 20 7.46E-08 2.19E-09 1.76E-07 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 35 29.65 0.78 42.05 1.27E-03 20 1.00E-07 1.39E-09 1.47E-07 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 40 29.7 349.02 33.55 1.36E-03 20 1.18E-07 -2.34E-08 1.30E-07 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 45 29.75 337.23 29.74 1.44E-03 20 1.23E-07 -5.26E-08 1.24E-07 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 50 29.8 341.79 28.46 1.55E-03 20 1.38E-07 -4.63E-08 1.28E-07 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 55 29.85 350.08 27.92 1.84E-03 20 1.70E-07 -3.03E-08 1.49E-07 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 60 29.9 353.86 24.77 2.18E-03 20 2.08E-07 -2.29E-08 1.58E-07 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 65 29.95 355.56 19.35 2.87E-03 20 2.87E-07 -2.28E-08 1.65E-07 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 70 30 358.33 18.79 2.69E-03 20 2.70E-07 -8.03E-09 1.50E-07 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 75 30.05 357.62 28.18 1.39E-03 20 1.30E-07 -5.52E-09 1.14E-07 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 80 30.1 1.61 27.52 1.22E-03 20 1.15E-07 3.31E-09 9.81E-08 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 85 30.15 3.49 25.63 1.39E-03 20 1.32E-07 8.25E-09 1.04E-07 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 90 30.2 3.96 31.6 1.20E-03 20 1.08E-07 7.63E-09 1.09E-07 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 95 30.25 359.21 29.02 1.64E-03 20 1.52E-07 -2.14E-09 1.38E-07 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 100 30.3 353.88 33.28 2.24E-03 20 1.97E-07 -2.16E-08 2.13E-07 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 105 30.35 344.36 38.32 2.45E-03 20 1.97E-07 -5.63E-08 2.64E-07 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 110 30.4 335.16 32.91 3.23E-03 20 2.61E-07 -1.24E-07 3.04E-07 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 115 30.45 331.94 32.01 3.95E-03 20 3.14E-07 -1.71E-07 3.63E-07 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 120 30.5 331.92 39.63 3.32E-03 20 2.39E-07 -1.30E-07 3.67E-07 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 125 30.55 331.04 43.11 2.83E-03 20 1.92E-07 -1.08E-07 3.35E-07 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 130 30.6 332.71 42.7 2.85E-03 20 1.97E-07 -1.04E-07 3.35E-07 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 135 30.65 332.06 41.92 3.14E-03 20 2.19E-07 -1.19E-07 3.63E-07 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 140 30.7 327.7 37.4 3.72E-03 20 2.65E-07 -1.71E-07 3.91E-07 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 145 30.75 330.95 30.85 3.72E-03 20 2.96E-07 -1.68E-07 3.31E-07 03/12/97 Yes Yes 2009 172 1061 C 4 H 4 150 30.8 335.93 35.27 1.63E-03 20 1.29E-07 -5.90E-08 1.63E-07 03/12/97 Yes Yes 2009 172 1061 C 4 H 5 0 30.8 331.66 26.52 2.24E-03 20 1.87E-07 -1.03E-07 1.74E-07 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 5 30.85 330.03 28.75 3.41E-03 20 2.75E-07 -1.62E-07 2.84E-07 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 10 30.9 328.27 29.24 3.27E-03 20 2.57E-07 -1.63E-07 2.77E-07 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 15 30.95 327.48 31.9 2.90E-03 20 2.21E-07 -1.44E-07 2.66E-07 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 20 31 328.95 36.79 2.46E-03 20 1.79E-07 -1.10E-07 2.55E-07 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 25 31.05 330.56 39.81 2.07E-03 20 1.47E-07 -8.48E-08 2.30E-07 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 30 31.1 332.21 39.75 1.80E-03 20 1.30E-07 -7.02E-08 2.00E-07 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 35 31.15 332.04 44.17 1.45E-03 20 9.77E-08 -5.31E-08 1.76E-07 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 40 31.2 333.92 52.77 1.04E-03 20 5.98E-08 -2.99E-08 1.43E-07 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 45 31.25 331.33 49.17 1.07E-03 20 6.49E-08 -3.63E-08 1.40E-07 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 50 31.3 328.39 38.11 1.69E-03 20 1.20E-07 -7.55E-08 1.81E-07 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 55 31.35 327.03 37.05 2.22E-03 20 1.58E-07 -1.05E-07 2.32E-07 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 60 31.4 331.36 43.75 1.84E-03 20 1.24E-07 -6.91E-08 2.21E-07 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 65 31.45 346.48 33.89 2.53E-03 20 2.16E-07 -5.32E-08 2.44E-07 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 70 31.5 347.94 34.72 3.35E-03 20 2.86E-07 -6.24E-08 3.31E-07 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 75 31.55 350.27 43.79 2.92E-03 20 2.20E-07 -3.86E-08 3.50E-07 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 80 31.6 343.3 45.75 2.45E-03 20 1.73E-07 -5.32E-08 3.04E-07 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 85 31.65 337.9 40.5 2.53E-03 20 1.89E-07 -7.84E-08 2.85E-07 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 90 31.7 342.72 48.21 1.67E-03 20 1.13E-07 -3.58E-08 2.16E-07 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 95 31.75 345.62 53.12 1.28E-03 20 7.92E-08 -2.08E-08 1.78E-07 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 100 31.8 351.09 41.63 1.95E-03 20 1.52E-07 -2.45E-08 2.24E-07 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 105 31.85 354.8 30.17 2.85E-03 20 2.60E-07 -2.42E-08 2.49E-07 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 110 31.9 353.78 31.39 2.36E-03 20 2.13E-07 -2.37E-08 2.13E-07 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 115 31.95 342.49 49.11 1.01E-03 20 6.70E-08 -2.16E-08 1.33E-07 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 120 32 340.86 47.93 8.56E-04 20 5.75E-08 -2.04E-08 1.10E-07 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 125 32.05 344.41 54.78 6.50E-04 20 3.83E-08 -1.09E-08 9.20E-08 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 130 32.1 343 47.09 6.79E-04 20 4.69E-08 -1.47E-08 8.62E-08 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 135 32.15 341.61 45.58 7.06E-04 20 4.97E-08 -1.69E-08 8.74E-08 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 140 32.2 349.21 44.36 5.38E-04 20 4.01E-08 -7.81E-09 6.52E-08 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 145 32.25 342.97 43.34 3.78E-04 20 2.79E-08 -8.73E-09 4.50E-08 03/12/97 Yes Yes 2011 172 1061 C 4 H 5 150 32.3 142.33 72.35 8.72E-05 20 -2.22E-09 1.75E-09 1.44E-08 03/12/97 Yes Yes 2011 172 1061 C 4 H 6 0 32.3 4.25 47.41 3.59E-04 20 2.57E-08 1.95E-09 4.59E-08 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 5 32.35 352.31 36.92 1.06E-03 20 8.93E-08 -1.23E-08 1.11E-07 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 10 32.4 348.7 37.64 1.34E-03 20 1.10E-07 -2.26E-08 1.42E-07 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 15 32.45 333.76 49.09 7.87E-04 20 4.90E-08 -2.47E-08 1.03E-07 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 20 32.5 307.27 72.59 3.64E-04 20 7.00E-09 -9.41E-09 6.03E-08 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 25 32.55 356.72 47.23 7.77E-04 20 5.59E-08 -3.27E-09 9.89E-08 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 30 32.6 2.79 47.48 1.19E-03 20 8.52E-08 4.24E-09 1.52E-07 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 35 32.65 355.7 54.69 1.02E-03 20 6.26E-08 -4.82E-09 1.45E-07 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 40 32.7 353.84 52.49 9.66E-04 20 6.20E-08 -6.84E-09 1.33E-07 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 45 32.75 356.49 47.93 1.04E-03 20 7.40E-08 -4.65E-09 1.34E-07 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 50 32.8 2.41 48.79 9.82E-04 20 6.85E-08 2.95E-09 1.28E-07 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 55 32.85 357.14 45.84 8.97E-04 20 6.62E-08 -3.39E-09 1.12E-07 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 60 32.9 359.13 45.22 8.01E-04 20 5.98E-08 -9.27E-10 9.86E-08 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 65 32.95 351.36 44.09 7.92E-04 20 5.96E-08 -9.27E-09 9.55E-08 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 70 33 345.17 42.75 9.16E-04 20 6.90E-08 -1.87E-08 1.08E-07 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 75 33.05 337.04 42.66 9.96E-04 20 7.15E-08 -3.10E-08 1.17E-07 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 80 33.1 327.91 37.75 1.07E-03 20 7.61E-08 -4.88E-08 1.14E-07 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 85 33.15 332.39 39.69 8.11E-04 20 5.87E-08 -3.14E-08 8.98E-08 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 90 33.2 341.8 42.39 7.38E-04 20 5.49E-08 -1.85E-08 8.62E-08 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 95 33.25 333.46 31.24 1.27E-03 20 1.03E-07 -5.26E-08 1.14E-07 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 100 33.3 337.71 34.99 1.10E-03 20 8.85E-08 -3.71E-08 1.09E-07 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 105 33.35 5.29 68.33 3.45E-04 20 1.34E-08 1.27E-09 5.55E-08 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 110 33.4 3.48 69.51 2.06E-04 20 7.65E-09 4.76E-10 3.35E-08 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 115 33.45 349.88 45.59 2.42E-04 20 1.77E-08 -3.22E-09 3.00E-08 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 120 33.5 347.49 40.3 2.87E-04 20 2.27E-08 -5.14E-09 3.22E-08 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 125 33.55 344.52 30.7 4.14E-04 20 3.64E-08 -1.03E-08 3.66E-08 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 130 33.6 344.57 29.48 5.90E-04 20 5.25E-08 -1.48E-08 5.03E-08 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 135 33.65 352.71 36.28 5.99E-04 20 5.08E-08 -6.64E-09 6.14E-08 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 140 33.7 357.05 35.67 6.86E-04 20 5.91E-08 -3.12E-09 6.94E-08 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 145 33.75 355.85 29 8.86E-04 20 8.20E-08 -6.08E-09 7.44E-08 03/12/97 Yes Yes 2013 172 1061 C 4 H 6 150 33.8 352.39 37.05 4.12E-04 20 3.46E-08 -4.72E-09 4.31E-08 03/12/97 Yes Yes 2013 172 1061 C 4 H 7 0 33.8 350.74 35.08 5.57E-04 20 4.77E-08 -7.96E-09 5.55E-08 03/12/97 Yes Yes 2015 172 1061 C 4 H 7 5 33.85 348.3 34.61 1.05E-03 20 9.01E-08 -1.91E-08 1.04E-07 03/12/97 Yes Yes 2015 172 1061 C 4 H 7 10 33.9 342.14 35.91 1.41E-03 20 1.15E-07 -3.80E-08 1.43E-07 03/12/97 Yes Yes 2015 172 1061 C 4 H 7 15 33.95 331.96 27.48 2.67E-03 20 2.22E-07 -1.21E-07 2.14E-07 03/12/97 Yes Yes 2015 172 1061 C 4 H 7 20 34 328.48 31.36 2.75E-03 20 2.12E-07 -1.33E-07 2.48E-07 03/12/97 Yes Yes 2015 172 1061 C 4 H 7 25 34.05 336.72 37.95 1.89E-03 20 1.46E-07 -6.40E-08 2.02E-07 03/12/97 Yes Yes 2015 172 1061 C 4 H 7 30 34.1 338.43 33.54 2.00E-03 20 1.64E-07 -6.64E-08 1.91E-07 03/12/97 Yes Yes 2015 172 1061 C 4 H 7 35 34.15 337.54 39.67 1.66E-03 20 1.25E-07 -5.29E-08 1.83E-07 03/12/97 Yes Yes 2015 172 1061 C 4 H 7 40 34.2 324.37 42.89 1.55E-03 20 9.81E-08 -7.19E-08 1.83E-07 03/12/97 Yes Yes 2015 172 1061 C 4 H 7 45 34.25 323.7 42.15 1.86E-03 20 1.18E-07 -8.84E-08 2.16E-07 03/12/97 Yes Yes 2015 172 1061 C 4 H 7 50 34.3 328.23 55.3 1.80E-03 20 9.25E-08 -5.86E-08 2.57E-07 03/12/97 Yes Yes 2015 172 1061 C 4 H 7 55 34.35 334 67.3 1.51E-03 20 5.57E-08 -2.78E-08 2.42E-07 03/12/97 Yes Yes 2015 172 1061 C 4 H 7 60 34.4 331.64 49.65 1.27E-03 20 7.68E-08 -4.24E-08 1.68E-07 03/12/97 Yes Yes 2015 172 1061 C 4 H 7 65 34.45 327.66 44.75 1.15E-03 20 7.33E-08 -4.75E-08 1.41E-07 03/12/97 Yes Yes 2015 172 1061 C 4 H 7 70 34.5 331.81 63.42 6.06E-04 20 2.53E-08 -1.39E-08 9.39E-08 03/12/97 Yes Yes 2015 172 1061 C 5 H 1 0 34.3 333.84 72.68 1.66E-02 20 4.70E-07 -2.36E-07 2.74E-06 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 5 34.35 289.38 60.26 2.27E-02 20 3.96E-07 -1.15E-06 3.41E-06 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 10 34.4 346.84 28.24 3.72E-02 20 3.39E-06 -8.10E-07 3.05E-06 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 15 34.45 0.1 43.88 4.38E-02 20 3.35E-06 6.15E-09 5.27E-06 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 20 34.5 297.57 59.07 4.78E-02 20 1.21E-06 -2.36E-06 7.11E-06 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 25 34.55 259.69 74.85 2.78E-02 20 -1.38E-07 -7.75E-07 4.65E-06 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 30 34.6 105.62 69.81 9.77E-03 20 -9.64E-08 3.52E-07 1.59E-06 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 35 34.65 85.16 59.88 3.80E-03 20 1.71E-08 2.06E-07 5.70E-07 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 40 34.7 11.91 47.71 2.74E-03 20 1.91E-07 4.13E-08 3.51E-07 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 45 34.75 347.47 51.05 3.00E-03 20 1.95E-07 -4.43E-08 4.04E-07 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 50 34.8 351.77 49.65 2.50E-03 20 1.70E-07 -2.51E-08 3.30E-07 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 55 34.85 346.29 51.05 2.72E-03 20 1.76E-07 -4.39E-08 3.66E-07 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 60 34.9 357.65 50.98 2.55E-03 20 1.70E-07 -7.14E-09 3.44E-07 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 65 34.95 36.09 38.39 3.24E-03 20 2.18E-07 1.62E-07 3.49E-07 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 70 35 38.73 38.55 3.17E-03 20 2.05E-07 1.68E-07 3.42E-07 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 75 35.05 23.13 49.53 2.28E-03 20 1.44E-07 6.29E-08 3.00E-07 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 80 35.1 19.08 47.22 1.88E-03 20 1.28E-07 4.52E-08 2.39E-07 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 85 35.15 16.88 37.46 2.32E-03 20 1.87E-07 5.81E-08 2.45E-07 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 90 35.2 15.71 31.96 3.16E-03 20 2.73E-07 7.86E-08 2.90E-07 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 95 35.25 14.4 29.92 4.56E-03 20 4.06E-07 1.07E-07 3.94E-07 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 100 35.3 10.26 36.38 5.12E-03 20 4.30E-07 7.96E-08 5.26E-07 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 105 35.35 358.35 50.1 3.79E-03 20 2.58E-07 -7.57E-09 5.04E-07 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 110 35.4 359.93 50.42 4.06E-03 20 2.74E-07 -3.41E-10 5.42E-07 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 115 35.45 7.04 44.29 5.10E-03 20 3.84E-07 4.85E-08 6.17E-07 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 120 35.5 358.53 46.46 5.63E-03 20 4.12E-07 -1.08E-08 7.08E-07 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 125 35.55 6.37 49.06 5.31E-03 20 3.67E-07 4.19E-08 6.96E-07 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 130 35.6 12.39 46.66 5.78E-03 20 4.11E-07 9.22E-08 7.28E-07 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 135 35.65 4.44 45.73 6.17E-03 20 4.55E-07 3.62E-08 7.66E-07 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 140 35.7 3.75 37.27 6.33E-03 20 5.33E-07 3.57E-08 6.65E-07 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 145 35.75 5.68 30.93 5.53E-03 20 5.01E-07 5.09E-08 4.93E-07 03/12/97 Yes Yes 2017 172 1061 C 5 H 1 150 35.8 12.28 49.13 1.60E-03 20 1.08E-07 2.41E-08 2.09E-07 03/12/97 Yes Yes 2017 172 1061 C 5 H 2 0 35.8 358.94 25.15 2.36E-03 20 2.26E-07 -4.28E-09 1.74E-07 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 5 35.85 2.69 21.93 5.89E-03 20 5.79E-07 2.78E-08 3.81E-07 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 10 35.9 2.25 24.24 6.17E-03 20 5.97E-07 2.40E-08 4.39E-07 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 15 35.95 1.61 28.98 5.09E-03 20 4.72E-07 1.36E-08 4.28E-07 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 20 36 3.85 29.48 4.89E-03 20 4.50E-07 3.10E-08 4.17E-07 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 25 36.05 7.43 25.55 5.72E-03 20 5.43E-07 7.24E-08 4.28E-07 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 30 36.1 11.3 24.28 5.76E-03 20 5.46E-07 1.12E-07 4.11E-07 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 35 36.15 8.06 24.8 5.78E-03 20 5.51E-07 7.97E-08 4.20E-07 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 40 36.2 7.36 24.02 7.19E-03 20 6.91E-07 9.12E-08 5.07E-07 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 45 36.25 9.74 24.96 9.43E-03 20 8.94E-07 1.57E-07 6.90E-07 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 50 36.3 11.78 34.75 7.62E-03 20 6.50E-07 1.39E-07 7.53E-07 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 55 36.35 6.68 42.95 5.96E-03 20 4.59E-07 5.51E-08 7.04E-07 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 60 36.4 359.65 37.47 8.62E-03 20 7.26E-07 -4.59E-09 9.09E-07 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 65 36.45 357.75 36.51 1.01E-02 20 8.64E-07 -3.46E-08 1.05E-06 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 70 36.5 357.27 38.46 1.05E-02 20 8.74E-07 -4.27E-08 1.14E-06 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 75 36.55 2.75 42.84 1.09E-02 20 8.47E-07 4.15E-08 1.29E-06 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 80 36.6 2.84 44.15 1.06E-02 20 8.02E-07 4.07E-08 1.27E-06 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 85 36.65 359.96 43.45 1.04E-02 20 7.97E-07 -6.26E-10 1.23E-06 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 90 36.7 359.38 40.59 1.27E-02 20 1.02E-06 -1.13E-08 1.43E-06 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 95 36.75 3.77 48.57 1.11E-02 20 7.78E-07 5.23E-08 1.44E-06 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 100 36.8 25.61 42.82 1.04E-02 20 7.29E-07 3.57E-07 1.22E-06 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 105 36.85 30.92 31.67 1.56E-02 20 1.21E-06 7.42E-07 1.42E-06 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 110 36.9 30.79 32.89 1.88E-02 20 1.44E-06 8.77E-07 1.77E-06 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 115 36.95 26.52 37.28 1.84E-02 20 1.39E-06 7.07E-07 1.93E-06 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 120 37 16.7 40.01 1.97E-02 20 1.54E-06 4.71E-07 2.20E-06 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 125 37.05 9.69 43.03 2.01E-02 20 1.53E-06 2.68E-07 2.37E-06 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 130 37.1 6.73 44.74 2.21E-02 20 1.66E-06 2.00E-07 2.70E-06 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 135 37.15 4.24 42.81 2.70E-02 20 2.10E-06 1.59E-07 3.18E-06 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 140 37.2 1.69 40.89 3.01E-02 20 2.41E-06 7.29E-08 3.41E-06 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 145 37.25 358.12 42.63 2.75E-02 20 2.15E-06 -7.22E-08 3.23E-06 03/12/97 Yes Yes 2019 172 1061 C 5 H 2 150 37.3 358.09 60.38 1.39E-02 20 7.26E-07 -2.48E-08 2.09E-06 03/12/97 Yes Yes 2019 172 1061 C 5 H 3 0 37.3 335.63 42.62 1.49E-02 20 1.06E-06 -4.89E-07 1.74E-06 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 5 37.35 338.45 43.07 2.06E-02 20 1.48E-06 -5.99E-07 2.44E-06 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 10 37.4 350.19 42.44 1.71E-02 20 1.32E-06 -2.33E-07 2.00E-06 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 15 37.45 2.33 35.16 1.62E-02 20 1.41E-06 5.87E-08 1.62E-06 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 20 37.5 9.81 30.92 1.80E-02 20 1.62E-06 2.86E-07 1.61E-06 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 25 37.55 7.99 32.89 1.97E-02 20 1.74E-06 2.49E-07 1.85E-06 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 30 37.6 6.52 33.1 2.22E-02 20 1.96E-06 2.29E-07 2.10E-06 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 35 37.65 11.72 31.11 2.69E-02 20 2.39E-06 5.07E-07 2.41E-06 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 40 37.7 12.54 35.04 2.60E-02 20 2.20E-06 5.01E-07 2.59E-06 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 45 37.75 15.02 35.84 2.40E-02 20 1.99E-06 5.47E-07 2.44E-06 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 50 37.8 17 30.17 2.05E-02 20 1.80E-06 5.62E-07 1.79E-06 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 55 37.85 15.3 25.08 1.75E-02 20 1.62E-06 4.53E-07 1.28E-06 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 60 37.9 9.99 28.34 1.38E-02 20 1.27E-06 2.29E-07 1.14E-06 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 65 37.95 0.45 22.25 1.78E-02 20 1.75E-06 1.40E-08 1.17E-06 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 70 38 356.92 18.08 2.38E-02 20 2.40E-06 -1.32E-07 1.28E-06 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 75 38.05 358.89 17.23 3.01E-02 20 3.05E-06 -6.03E-08 1.54E-06 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 80 38.1 358.88 20.76 3.15E-02 20 3.13E-06 -6.26E-08 1.94E-06 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 85 38.15 354.65 20.78 2.95E-02 20 2.91E-06 -2.79E-07 1.81E-06 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 90 38.2 354.54 16.18 3.39E-02 20 3.44E-06 -3.36E-07 1.64E-06 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 95 38.25 354.18 14.15 2.80E-02 20 2.86E-06 -2.98E-07 1.19E-06 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 100 38.3 358.45 7.35 2.02E-02 20 2.12E-06 -5.87E-08 4.48E-07 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 105 38.35 2.77 8.98 1.83E-02 20 1.91E-06 9.44E-08 4.94E-07 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 110 38.4 13.5 15.08 2.34E-02 20 2.33E-06 5.73E-07 1.06E-06 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 115 38.45 19.07 19.13 2.11E-02 20 1.99E-06 7.05E-07 1.20E-06 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 120 38.5 15.04 33.77 1.28E-02 20 1.09E-06 2.99E-07 1.23E-06 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 125 38.55 20.43 34.11 1.54E-02 20 1.27E-06 4.83E-07 1.50E-06 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 130 38.6 22.09 26.37 3.35E-02 20 2.95E-06 1.22E-06 2.58E-06 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 135 38.65 20.87 31.9 4.45E-02 20 3.74E-06 1.46E-06 4.08E-06 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 140 38.7 16.49 40.2 4.03E-02 20 3.13E-06 9.46E-07 4.50E-06 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 145 38.75 12.6 45.97 2.70E-02 20 1.94E-06 4.43E-07 3.36E-06 03/12/97 Yes Yes 2021 172 1061 C 5 H 3 150 38.8 23.52 63.84 1.02E-02 20 4.37E-07 1.94E-07 1.58E-06 03/12/97 Yes Yes 2021 172 1061 C 5 H 4 0 38.8 6.29 33.06 1.84E-02 20 1.63E-06 1.83E-07 1.74E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 5 38.85 10.39 34.08 3.25E-02 20 2.81E-06 5.27E-07 3.16E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 10 38.9 13.79 34.48 3.63E-02 20 3.08E-06 7.74E-07 3.56E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 15 38.95 16.97 32.34 3.43E-02 20 2.94E-06 9.16E-07 3.18E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 20 39 15.3 31 3.08E-02 20 2.70E-06 7.55E-07 2.75E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 25 39.05 12.69 31.54 2.83E-02 20 2.49E-06 5.74E-07 2.56E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 30 39.1 15.01 30.32 2.68E-02 20 2.37E-06 6.49E-07 2.34E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 35 39.15 17.11 26.5 2.55E-02 20 2.31E-06 7.27E-07 1.97E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 40 39.2 13.01 26.49 2.14E-02 20 1.97E-06 4.66E-07 1.65E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 45 39.25 7.81 23.22 2.16E-02 20 2.09E-06 2.92E-07 1.48E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 50 39.3 2.43 25.38 1.81E-02 20 1.73E-06 7.52E-08 1.34E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 55 39.35 355.94 29.12 1.51E-02 20 1.39E-06 -1.01E-07 1.27E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 60 39.4 356.35 29.98 1.72E-02 20 1.57E-06 -1.03E-07 1.49E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 65 39.45 358.71 32.56 1.82E-02 20 1.63E-06 -3.77E-08 1.70E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 70 39.5 359.39 30.28 1.93E-02 20 1.77E-06 -1.93E-08 1.69E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 75 39.55 358.47 28.66 1.92E-02 20 1.78E-06 -4.88E-08 1.59E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 80 39.6 3.77 25.93 1.94E-02 20 1.84E-06 1.24E-07 1.47E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 85 39.65 11.86 25.8 2.17E-02 20 2.03E-06 4.36E-07 1.64E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 90 39.7 23.24 33.84 1.74E-02 20 1.40E-06 6.17E-07 1.68E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 95 39.75 18.53 46.55 1.04E-02 20 7.22E-07 2.47E-07 1.31E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 100 39.8 3.12 37.51 1.23E-02 20 1.04E-06 5.76E-08 1.30E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 105 39.85 3.02 33.38 1.47E-02 20 1.30E-06 6.99E-08 1.40E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 110 39.9 6.15 32.8 1.49E-02 20 1.32E-06 1.45E-07 1.40E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 115 39.95 16.3 30.72 1.65E-02 20 1.45E-06 4.33E-07 1.46E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 120 40 21.68 28.7 1.82E-02 20 1.57E-06 6.39E-07 1.51E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 125 40.05 23.32 31.78 1.57E-02 20 1.30E-06 5.73E-07 1.43E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 130 40.1 24.74 33.82 1.50E-02 20 1.20E-06 5.66E-07 1.45E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 135 40.15 25.89 34.15 1.61E-02 20 1.27E-06 6.31E-07 1.57E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 140 40.2 22.37 30.92 1.89E-02 20 1.59E-06 6.69E-07 1.68E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 145 40.25 24.94 28.57 1.87E-02 20 1.58E-06 7.52E-07 1.55E-06 03/12/97 Yes Yes 2023 172 1061 C 5 H 4 150 40.3 29.64 42.28 7.34E-03 20 5.01E-07 2.91E-07 8.57E-07 03/12/97 Yes Yes 2023 172 1061 C 5 H 5 0 40.3 26.84 27.14 1.16E-02 20 9.79E-07 5.07E-07 9.20E-07 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 5 40.35 29.33 30.09 2.01E-02 20 1.61E-06 9.22E-07 1.74E-06 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 10 40.4 29.05 33.88 1.79E-02 20 1.38E-06 7.82E-07 1.73E-06 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 15 40.45 26 28.28 2.10E-02 20 1.76E-06 8.77E-07 1.72E-06 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 20 40.5 29.7 27.71 2.17E-02 20 1.77E-06 1.03E-06 1.75E-06 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 25 40.55 38.89 35.75 1.52E-02 20 1.02E-06 8.38E-07 1.54E-06 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 30 40.6 35.34 53.78 9.25E-03 20 4.73E-07 3.43E-07 1.29E-06 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 35 40.65 25.9 39.08 1.12E-02 20 8.28E-07 4.11E-07 1.22E-06 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 40 40.7 26.41 32.62 1.36E-02 20 1.09E-06 5.54E-07 1.27E-06 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 45 40.75 30.22 34.65 1.40E-02 20 1.05E-06 6.27E-07 1.38E-06 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 50 40.8 34.99 38.56 1.30E-02 20 8.81E-07 6.31E-07 1.40E-06 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 55 40.85 29.85 49.09 1.04E-02 20 6.27E-07 3.68E-07 1.36E-06 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 60 40.9 30.72 55.25 9.38E-03 20 4.88E-07 2.96E-07 1.34E-06 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 65 40.95 28.06 52.92 9.37E-03 20 5.29E-07 2.88E-07 1.30E-06 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 70 41 24.88 44.65 1.07E-02 20 7.32E-07 3.47E-07 1.30E-06 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 75 41.05 25.48 36.65 1.23E-02 20 9.44E-07 4.60E-07 1.27E-06 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 80 41.1 25.93 31.08 1.35E-02 20 1.10E-06 5.49E-07 1.21E-06 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 85 41.15 25.73 24.63 1.61E-02 20 1.39E-06 6.87E-07 1.16E-06 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 90 41.2 26.57 22.8 1.74E-02 20 1.52E-06 7.76E-07 1.17E-06 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 95 41.25 27.3 22.29 1.60E-02 20 1.39E-06 7.36E-07 1.05E-06 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 100 41.3 31.12 21.99 1.60E-02 20 1.35E-06 8.33E-07 1.04E-06 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 105 41.35 33.69 31.95 1.23E-02 20 9.18E-07 6.25E-07 1.12E-06 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 110 41.4 33.17 35.73 9.64E-03 20 6.95E-07 4.64E-07 9.76E-07 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 115 41.45 36.41 31.46 1.17E-02 20 8.52E-07 6.42E-07 1.06E-06 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 120 41.5 42.6 31.05 1.34E-02 20 8.97E-07 8.43E-07 1.20E-06 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 125 41.55 41.87 33.71 1.54E-02 20 1.01E-06 9.30E-07 1.49E-06 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 130 41.6 29.14 44.12 1.19E-02 20 7.93E-07 4.52E-07 1.44E-06 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 135 41.65 16.89 34.71 1.25E-02 20 1.04E-06 3.24E-07 1.23E-06 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 140 41.7 10.85 29.71 1.55E-02 20 1.40E-06 2.75E-07 1.33E-06 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 145 41.75 30.29 34.98 9.91E-03 20 7.43E-07 4.44E-07 9.85E-07 03/12/97 Yes Yes 2025 172 1061 C 5 H 5 150 41.8 48.32 55.36 3.16E-03 20 1.27E-07 1.45E-07 4.51E-07 03/12/97 Yes Yes 2025 172 1061 C 5 H 6 0 41.8 20.05 35.95 4.30E-03 20 3.47E-07 1.30E-07 4.38E-07 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 5 41.85 15.44 28.21 9.94E-03 20 8.96E-07 2.53E-07 8.15E-07 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 10 41.9 16.4 26.11 1.42E-02 20 1.30E-06 3.92E-07 1.09E-06 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 15 41.95 15.2 31.65 1.36E-02 20 1.18E-06 3.29E-07 1.24E-06 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 20 42 13.29 35.47 1.20E-02 20 1.00E-06 2.43E-07 1.20E-06 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 25 42.05 21.03 37.82 1.38E-02 20 1.08E-06 4.24E-07 1.46E-06 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 30 42.1 23.37 40.25 1.53E-02 20 1.14E-06 5.01E-07 1.71E-06 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 35 42.15 11.27 40.75 1.55E-02 20 1.22E-06 2.49E-07 1.76E-06 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 40 42.2 5.23 44.88 1.47E-02 20 1.10E-06 1.03E-07 1.80E-06 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 45 42.25 11.95 52.66 1.19E-02 20 7.51E-07 1.63E-07 1.64E-06 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 50 42.3 6.12 43.25 1.12E-02 20 8.57E-07 9.39E-08 1.33E-06 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 55 42.35 15.06 29.47 1.34E-02 20 1.19E-06 3.28E-07 1.14E-06 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 60 42.4 12.72 20.85 2.54E-02 20 2.45E-06 5.66E-07 1.57E-06 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 65 42.45 0.64 31.08 2.32E-02 20 2.11E-06 2.42E-08 2.07E-06 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 70 42.5 7.29 38.15 2.40E-02 20 1.99E-06 2.60E-07 2.57E-06 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 75 42.55 352.46 41.58 2.49E-02 20 1.96E-06 -2.65E-07 2.87E-06 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 80 42.6 93.25 60.63 1.96E-02 20 -5.78E-08 1.04E-06 2.96E-06 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 85 42.65 46.82 13.93 2.23E-02 20 1.57E-06 1.71E-06 9.31E-07 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 90 42.7 29.1 16.64 3.53E-02 20 3.14E-06 1.79E-06 1.75E-06 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 95 42.75 19.8 17.13 2.52E-02 20 2.41E-06 8.86E-07 1.29E-06 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 100 42.8 13.56 21.6 3.19E-02 20 3.05E-06 7.53E-07 2.03E-06 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 105 42.85 54.89 36.84 1.30E-02 20 6.36E-07 9.25E-07 1.35E-06 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 110 42.9 337.06 25.51 3.10E-02 20 2.73E-06 -1.18E-06 2.31E-06 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 115 42.95 324.07 43.98 1.66E-02 20 1.02E-06 -7.59E-07 2.00E-06 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 120 43 73 45.36 8.20E-03 20 1.79E-07 5.97E-07 1.01E-06 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 125 43.05 71.69 62.01 5.00E-03 20 7.82E-08 2.42E-07 7.65E-07 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 130 43.1 41.67 49.95 6.67E-03 20 3.40E-07 3.09E-07 8.85E-07 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 135 43.15 21.43 26.44 2.91E-02 20 2.57E-06 1.03E-06 2.25E-06 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 140 43.2 18.95 39.66 3.58E-02 20 2.76E-06 9.70E-07 3.96E-06 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 145 43.25 354.73 38.48 1.93E-02 20 1.59E-06 -1.50E-07 2.08E-06 03/12/97 Yes Yes 2027 172 1061 C 5 H 6 150 43.3 315.95 46.8 1.13E-02 20 5.88E-07 -5.81E-07 1.42E-06 03/12/97 Yes Yes 2027 172 1061 C 5 H 7 0 43.3 10.49 31.79 7.96E-03 20 7.06E-07 1.34E-07 7.27E-07 03/12/97 Yes Yes 2029 172 1061 C 5 H 7 5 43.35 30.76 47.53 7.93E-03 20 4.88E-07 2.97E-07 1.01E-06 03/12/97 Yes Yes 2029 172 1061 C 5 H 7 10 43.4 35.5 44.01 7.57E-03 20 4.70E-07 3.43E-07 9.12E-07 03/12/97 Yes Yes 2029 172 1061 C 5 H 7 15 43.45 27.12 42.45 9.58E-03 20 6.67E-07 3.49E-07 1.12E-06 03/12/97 Yes Yes 2029 172 1061 C 5 H 7 20 43.5 27.68 33.02 1.91E-02 20 1.50E-06 8.05E-07 1.80E-06 03/12/97 Yes Yes 2029 172 1061 C 5 H 7 25 43.55 10.85 51.23 1.11E-02 20 7.26E-07 1.42E-07 1.51E-06 03/12/97 Yes Yes 2029 172 1061 C 5 H 7 30 43.6 3.01 69.54 5.65E-03 20 2.09E-07 1.12E-08 9.18E-07 03/12/97 Yes Yes 2029 172 1061 C 5 H 7 35 43.65 13.07 60.16 6.33E-03 20 3.25E-07 7.72E-08 9.51E-07 03/12/97 Yes Yes 2029 172 1061 C 5 H 7 40 43.7 32.54 23.36 2.36E-02 20 1.94E-06 1.26E-06 1.62E-06 03/12/97 Yes Yes 2029 172 1061 C 5 H 7 45 43.75 30.83 34.02 2.60E-02 20 1.96E-06 1.20E-06 2.52E-06 03/12/97 Yes Yes 2029 172 1061 C 5 H 7 50 43.8 358.66 78.11 6.60E-03 20 1.44E-07 -3.45E-09 1.12E-06 03/12/97 Yes Yes 2029 172 1061 C 5 H 7 55 43.85 333.86 37.37 4.92E-03 20 3.72E-07 -1.87E-07 5.18E-07 03/12/97 Yes Yes 2029 172 1061 C 5 H 7 60 43.9 2.28 37.11 3.41E-03 20 2.89E-07 1.18E-08 3.57E-07 03/12/97 Yes Yes 2029 172 1061 C 6 H 1 0 43.8 29.08 57.17 1.71E-03 20 8.62E-08 4.90E-08 2.50E-07 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 5 43.85 38.36 38.79 3.37E-03 20 2.18E-07 1.77E-07 3.66E-07 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 10 43.9 29.46 36.66 3.87E-03 20 2.87E-07 1.66E-07 4.01E-07 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 15 43.95 29.69 38.5 3.68E-03 20 2.65E-07 1.55E-07 3.97E-07 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 20 44 31.94 43.28 3.26E-03 20 2.14E-07 1.36E-07 3.88E-07 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 25 44.05 27.3 43.03 3.45E-03 20 2.38E-07 1.26E-07 4.08E-07 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 30 44.1 17.07 37.43 4.80E-03 20 3.86E-07 1.21E-07 5.05E-07 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 35 44.15 11.15 44.85 5.79E-03 20 4.27E-07 8.61E-08 7.08E-07 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 40 44.2 43.83 42.85 5.87E-03 20 3.29E-07 3.23E-07 6.92E-07 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 45 44.25 31.9 52.18 5.25E-03 20 2.90E-07 1.85E-07 7.19E-07 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 50 44.3 291.21 73.26 3.15E-03 20 3.48E-08 -9.18E-08 5.23E-07 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 55 44.35 14.32 46.12 6.05E-03 20 4.31E-07 1.12E-07 7.56E-07 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 60 44.4 36.56 26.58 1.96E-02 20 1.49E-06 1.13E-06 1.52E-06 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 65 44.45 49.43 38.29 2.61E-02 20 1.41E-06 1.69E-06 2.80E-06 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 70 44.5 306.47 83.93 8.65E-03 20 5.77E-08 -7.98E-08 1.49E-06 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 75 44.55 355.08 60.7 5.23E-03 20 2.71E-07 -2.38E-08 7.91E-07 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 80 44.6 7.51 40.54 7.24E-03 20 5.79E-07 7.80E-08 8.16E-07 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 85 44.65 40.52 41.24 5.49E-03 20 3.33E-07 2.91E-07 6.27E-07 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 90 44.7 19.39 43.28 3.55E-03 20 2.59E-07 9.31E-08 4.22E-07 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 95 44.75 23.47 37.75 4.43E-03 20 3.41E-07 1.51E-07 4.70E-07 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 100 44.8 30.02 49.17 2.62E-03 20 1.57E-07 9.30E-08 3.44E-07 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 105 44.85 28.13 57.27 1.89E-03 20 9.56E-08 5.22E-08 2.76E-07 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 110 44.9 13.53 31.33 4.26E-03 20 3.75E-07 9.23E-08 3.84E-07 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 115 44.95 16.08 46.37 5.49E-03 20 3.86E-07 1.14E-07 6.89E-07 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 120 45 41.02 59.48 3.14E-03 20 1.27E-07 1.13E-07 4.69E-07 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 125 45.05 28.01 45.45 3.19E-03 20 2.10E-07 1.14E-07 3.95E-07 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 130 45.1 30.14 33.26 5.72E-03 20 4.39E-07 2.60E-07 5.44E-07 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 135 45.15 23.7 33.47 8.81E-03 20 7.13E-07 3.20E-07 8.42E-07 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 140 45.2 20.87 42.28 4.92E-03 20 3.61E-07 1.41E-07 5.74E-07 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 145 45.25 30.18 36.58 3.88E-03 20 2.86E-07 1.70E-07 4.01E-07 03/12/97 Yes Yes 2031 172 1061 C 6 H 1 150 45.3 40.83 42.34 2.11E-03 20 1.25E-07 1.10E-07 2.46E-07 03/12/97 Yes Yes 2031 172 1061 C 6 H 2 0 45.3 20.33 37 2.18E-03 20 1.74E-07 6.58E-08 2.28E-07 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 5 45.35 25.65 46.28 2.29E-03 20 1.52E-07 7.44E-08 2.87E-07 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 10 45.4 33.84 34.21 3.71E-03 20 2.70E-07 1.85E-07 3.61E-07 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 15 45.45 46.36 24.71 6.57E-03 20 4.37E-07 4.68E-07 4.76E-07 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 20 45.5 49.24 19.92 7.50E-03 20 4.88E-07 5.79E-07 4.43E-07 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 25 45.55 267.7 5.53 2.40E-02 20 -1.02E-07 -2.59E-06 4.01E-07 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 30 45.6 262.88 37.26 1.66E-02 20 -1.74E-07 -1.42E-06 1.74E-06 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 35 45.65 107.68 24.64 8.84E-03 20 -2.59E-07 8.30E-07 6.39E-07 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 40 45.7 297.91 6.2 7.16E-03 20 3.53E-07 -6.82E-07 1.34E-07 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 45 45.75 346.04 3.87 5.56E-02 20 5.71E-06 -1.45E-06 6.50E-07 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 50 45.8 342.44 48.01 1.27E-02 20 8.62E-07 -2.79E-07 1.64E-06 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 55 45.85 335.49 26.82 9.93E-03 20 8.55E-07 -3.99E-07 7.77E-07 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 60 45.9 32.5 12.81 1.34E-01 20 1.17E-05 7.63E-06 5.16E-06 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 65 45.95 70.55 52.78 3.69E-02 20 7.88E-07 2.28E-06 5.09E-06 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 70 46 210.69 28.06 1.41E-02 20 -1.14E-06 -6.91E-07 1.15E-06 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 75 46.05 7.41 39.09 1.31E-02 20 1.07E-06 1.43E-07 1.44E-06 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 80 46.1 331.61 66.74 5.58E-03 20 2.06E-07 -1.14E-07 8.89E-07 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 85 46.15 68.23 60.73 3.36E-03 20 6.46E-08 1.65E-07 5.08E-07 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 90 46.2 35.37 39.37 4.50E-03 20 3.01E-07 2.18E-07 4.95E-07 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 95 46.25 20.2 20.06 9.73E-03 20 9.10E-07 3.42E-07 5.79E-07 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 100 46.3 34.28 25.58 1.55E-02 20 1.23E-06 8.56E-07 1.16E-06 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 105 46.35 59.49 22.91 1.38E-02 20 6.85E-07 1.19E-06 9.32E-07 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 110 46.4 1.06 48.09 8.02E-03 20 5.68E-07 1.07E-08 1.03E-06 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 115 46.45 10.22 61.6 7.53E-03 20 3.74E-07 6.90E-08 1.15E-06 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 120 46.5 30.72 53.08 6.73E-03 20 3.69E-07 2.24E-07 9.33E-07 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 125 46.55 52.48 24.23 2.99E-02 20 1.76E-06 2.35E-06 2.13E-06 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 130 46.6 20.59 69.16 1.33E-02 20 4.71E-07 1.81E-07 2.16E-06 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 135 46.65 320.93 65.44 6.57E-03 20 2.25E-07 -1.87E-07 1.04E-06 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 140 46.7 36.1 16.57 3.24E-02 20 2.66E-06 1.99E-06 1.60E-06 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 145 46.75 347.21 33.95 1.64E-02 20 1.41E-06 -3.27E-07 1.59E-06 03/12/97 Yes Yes 2033 172 1061 C 6 H 2 150 46.8 316.73 34.53 1.04E-02 20 6.62E-07 -6.37E-07 1.02E-06 03/12/97 Yes Yes 2033 172 1061 C 6 H 3 0 46.8 34.71 46.22 1.32E-02 20 7.96E-07 5.64E-07 1.65E-06 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 5 46.85 66.87 18.12 8.34E-02 20 3.30E-06 7.91E-06 4.50E-06 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 10 46.9 49.07 35.63 6.63E-02 20 3.74E-06 4.41E-06 6.69E-06 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 15 46.95 53.42 23.05 6.34E-02 20 3.69E-06 5.08E-06 4.30E-06 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 20 47 31.95 39.58 4.14E-02 20 2.87E-06 1.83E-06 4.57E-06 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 25 47.05 350.17 40.08 5.09E-02 20 4.07E-06 -7.21E-07 5.68E-06 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 30 47.1 7.83 39.59 7.72E-02 20 6.25E-06 8.78E-07 8.53E-06 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 35 47.15 24.97 62.4 4.44E-02 20 1.98E-06 9.42E-07 6.82E-06 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 40 47.2 132.17 46.17 1.37E-02 20 -6.76E-07 7.63E-07 1.71E-06 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 45 47.25 76.25 46.48 7.25E-03 20 1.26E-07 5.26E-07 9.12E-07 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 50 47.3 4.17 59.45 4.21E-03 20 2.26E-07 1.69E-08 6.28E-07 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 55 47.35 26.03 49.61 4.19E-03 20 2.59E-07 1.29E-07 5.54E-07 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 60 47.4 26.51 44.31 3.98E-03 20 2.70E-07 1.38E-07 4.82E-07 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 65 47.45 16.98 46.44 4.08E-03 20 2.85E-07 8.91E-08 5.13E-07 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 70 47.5 23.21 40.62 4.89E-03 20 3.62E-07 1.59E-07 5.52E-07 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 75 47.55 16.87 38.04 4.26E-03 20 3.41E-07 1.06E-07 4.55E-07 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 80 47.6 11.65 43.18 3.83E-03 20 2.90E-07 6.11E-08 4.54E-07 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 85 47.65 26.04 45.5 3.94E-03 20 2.63E-07 1.31E-07 4.87E-07 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 90 47.7 34.08 40.04 4.24E-03 20 2.85E-07 1.97E-07 4.73E-07 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 95 47.75 33.01 44.42 3.92E-03 20 2.49E-07 1.65E-07 4.75E-07 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 100 47.8 51.15 52.8 3.19E-03 20 1.28E-07 1.63E-07 4.40E-07 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 105 47.85 58.74 61.07 2.73E-03 20 7.27E-08 1.22E-07 4.14E-07 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 110 47.9 23.24 17.03 1.20E-02 20 1.12E-06 4.90E-07 6.08E-07 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 115 47.95 21.24 26.39 1.81E-02 20 1.60E-06 6.37E-07 1.40E-06 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 120 48 185.92 61.02 4.76E-03 20 -2.43E-07 -2.58E-08 7.22E-07 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 125 48.05 11.56 42.59 6.06E-03 20 4.64E-07 9.70E-08 7.11E-07 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 130 48.1 33.69 26.8 1.31E-02 20 1.03E-06 7.05E-07 1.03E-06 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 135 48.15 11.63 46.6 4.05E-03 20 2.89E-07 6.08E-08 5.10E-07 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 140 48.2 27.32 47.12 4.21E-03 20 2.70E-07 1.43E-07 5.35E-07 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 145 48.25 38.4 39.46 5.40E-03 20 3.47E-07 2.81E-07 5.95E-07 03/12/97 Yes Yes 2035 172 1061 C 6 H 3 150 48.3 45.02 57.67 1.99E-03 20 7.96E-08 8.15E-08 2.91E-07 03/12/97 Yes Yes 2035 172 1061 C 6 H 4 0 48.3 29.5 46.08 8.72E-03 20 5.58E-07 3.23E-07 1.09E-06 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 5 48.35 25.51 55.6 9.31E-03 20 5.04E-07 2.46E-07 1.33E-06 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 10 48.4 327.22 54.73 8.96E-03 20 4.62E-07 -3.04E-07 1.27E-06 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 15 48.45 341.82 43.01 2.17E-02 20 1.60E-06 -5.37E-07 2.57E-06 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 20 48.5 44.53 37.32 1.62E-02 20 9.75E-07 9.81E-07 1.70E-06 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 25 48.55 64.9 58.65 5.09E-03 20 1.19E-07 2.60E-07 7.53E-07 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 30 48.6 7.21 61.28 3.89E-03 20 1.97E-07 2.55E-08 5.92E-07 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 35 48.65 352.54 57.8 5.10E-03 20 2.86E-07 -3.82E-08 7.48E-07 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 40 48.7 35.7 39.46 9.84E-03 20 6.54E-07 4.81E-07 1.08E-06 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 45 48.75 350.19 47.08 1.69E-02 20 1.21E-06 -2.13E-07 2.15E-06 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 50 48.8 26.41 50.57 2.32E-02 20 1.40E-06 7.11E-07 3.11E-06 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 55 48.85 44.33 42.83 2.33E-02 20 1.30E-06 1.29E-06 2.75E-06 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 60 48.9 105.49 53.13 9.98E-03 20 -1.70E-07 6.26E-07 1.38E-06 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 65 48.95 321.09 4.92 8.31E-03 20 6.83E-07 -5.64E-07 1.23E-07 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 70 49 320 6.41 6.05E-02 20 4.88E-06 -4.19E-06 1.17E-06 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 75 49.05 354.62 33.68 2.18E-02 20 1.91E-06 -1.84E-07 2.09E-06 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 80 49.1 91.34 38.93 9.09E-03 20 -1.75E-08 7.67E-07 9.90E-07 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 85 49.15 60.41 32.73 5.73E-03 20 2.52E-07 4.54E-07 5.37E-07 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 90 49.2 263.06 42.16 3.08E-03 20 -2.92E-08 -2.46E-07 3.58E-07 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 95 49.25 274.19 56.2 5.25E-03 20 2.26E-08 -3.16E-07 7.57E-07 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 100 49.3 28.33 38.66 5.91E-03 20 4.31E-07 2.38E-07 6.40E-07 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 105 49.35 22.62 35.47 6.46E-03 20 5.15E-07 2.19E-07 6.50E-07 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 110 49.4 22.75 40.54 5.91E-03 20 4.40E-07 1.89E-07 6.67E-07 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 115 49.45 22.91 41.67 5.44E-03 20 3.97E-07 1.72E-07 6.27E-07 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 120 49.5 23.24 42.05 4.75E-03 20 3.44E-07 1.51E-07 5.52E-07 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 125 49.55 16.98 39.15 4.56E-03 20 3.58E-07 1.12E-07 4.99E-07 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 130 49.6 18.97 43.31 3.97E-03 20 2.90E-07 1.02E-07 4.73E-07 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 135 49.65 23.27 46.99 3.39E-03 20 2.25E-07 9.90E-08 4.29E-07 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 140 49.7 19.56 45.4 3.10E-03 20 2.17E-07 7.89E-08 3.82E-07 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 145 49.75 19.07 42.91 2.69E-03 20 1.98E-07 7.00E-08 3.18E-07 03/12/97 Yes Yes 2037 172 1061 C 6 H 4 150 49.8 40.11 61.51 1.06E-03 20 4.12E-08 3.55E-08 1.62E-07 03/12/97 Yes Yes 2037 172 1061 C 6 H 5 0 49.8 16.3 37.89 1.39E-03 20 1.11E-07 3.33E-08 1.48E-07 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 5 49.85 21.1 39.75 2.11E-03 20 1.61E-07 6.34E-08 2.34E-07 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 10 49.9 15.79 44.22 1.86E-03 20 1.36E-07 3.94E-08 2.25E-07 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 15 49.95 10.71 48.24 1.31E-03 20 9.06E-08 1.75E-08 1.69E-07 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 20 50 7.44 47.75 8.68E-04 20 6.14E-08 8.20E-09 1.11E-07 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 25 50.05 9.42 32.77 9.40E-04 20 8.27E-08 1.40E-08 8.82E-08 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 30 50.1 16.16 26.03 1.09E-03 20 1.00E-07 2.97E-08 8.32E-08 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 35 50.15 21.03 28.88 1.14E-03 20 9.85E-08 3.87E-08 9.51E-08 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 40 50.2 19.45 36.75 9.15E-04 20 7.33E-08 2.65E-08 9.49E-08 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 45 50.25 19.01 35.09 9.95E-04 20 8.17E-08 2.88E-08 9.92E-08 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 50 50.3 19.63 36.12 1.17E-03 20 9.48E-08 3.46E-08 1.20E-07 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 55 50.35 29.01 40.91 1.24E-03 20 8.68E-08 4.92E-08 1.41E-07 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 60 50.4 36.58 41.15 1.48E-03 20 9.49E-08 7.20E-08 1.69E-07 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 65 50.45 39.76 44.7 1.63E-03 20 9.47E-08 8.06E-08 1.99E-07 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 70 50.5 30.11 48.19 1.59E-03 20 9.74E-08 5.77E-08 2.06E-07 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 75 50.55 29.02 51.72 1.54E-03 20 8.83E-08 5.01E-08 2.09E-07 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 80 50.6 34.09 53.1 1.19E-03 20 6.29E-08 4.35E-08 1.65E-07 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 85 50.65 25.5 50.39 9.28E-04 20 5.66E-08 2.76E-08 1.24E-07 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 90 50.7 22.23 47.28 8.45E-04 20 5.63E-08 2.35E-08 1.08E-07 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 95 50.75 13.28 53.55 6.71E-04 20 4.11E-08 9.93E-09 9.35E-08 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 100 50.8 5.05 40.55 7.37E-04 20 5.91E-08 5.34E-09 8.30E-08 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 105 50.85 16.78 38.73 8.49E-04 20 6.73E-08 2.07E-08 9.21E-08 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 110 50.9 17.72 42.46 8.25E-04 20 6.15E-08 2.01E-08 9.65E-08 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 115 50.95 14.72 41.21 8.20E-04 20 6.33E-08 1.70E-08 9.37E-08 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 120 51 16.64 34.56 8.72E-04 20 7.30E-08 2.23E-08 8.58E-08 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 125 51.05 24.94 29.28 9.91E-04 20 8.32E-08 3.95E-08 8.41E-08 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 130 51.1 32.57 36.86 8.22E-04 20 5.88E-08 3.84E-08 8.55E-08 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 135 51.15 31.59 43.5 7.23E-04 20 4.74E-08 2.98E-08 8.63E-08 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 140 51.2 26.4 42.08 8.21E-04 20 5.79E-08 2.94E-08 9.54E-08 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 145 51.25 28.98 42.81 8.74E-04 20 5.95E-08 3.37E-08 1.03E-07 03/12/97 Yes Yes 2039 172 1061 C 6 H 5 150 51.3 37.84 58.32 3.92E-04 20 1.72E-08 1.37E-08 5.78E-08 03/12/97 Yes Yes 2039 172 1061 C 6 H 6 0 51.3 28.83 46.18 5.16E-04 20 3.32E-08 1.87E-08 6.46E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 5 51.35 37.88 48.72 8.00E-04 20 4.42E-08 3.52E-08 1.04E-07 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 10 51.4 30.36 48.85 7.58E-04 20 4.57E-08 2.73E-08 9.90E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 15 51.45 35.83 48.87 7.10E-04 20 4.02E-08 2.97E-08 9.28E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 20 51.5 38.68 52.93 6.15E-04 20 3.07E-08 2.51E-08 8.51E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 25 51.55 42.16 54.01 5.93E-04 20 2.74E-08 2.54E-08 8.32E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 30 51.6 42.7 51.65 5.95E-04 20 2.88E-08 2.72E-08 8.09E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 35 51.65 38.85 49.38 6.96E-04 20 3.74E-08 3.08E-08 9.15E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 40 51.7 29.76 52.05 6.45E-04 20 3.65E-08 2.14E-08 8.81E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 45 51.75 25.76 48.58 6.10E-04 20 3.86E-08 1.90E-08 7.93E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 50 51.8 34.08 40.74 5.78E-04 20 3.85E-08 2.66E-08 6.54E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 55 51.85 38.41 33.24 6.06E-04 20 4.21E-08 3.42E-08 5.76E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 60 51.9 43.44 37.48 5.34E-04 20 3.27E-08 3.16E-08 5.64E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 65 51.95 40.1 45.24 4.55E-04 20 2.60E-08 2.24E-08 5.60E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 70 52 44.69 38.48 6.01E-04 20 3.55E-08 3.59E-08 6.48E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 75 52.05 37.69 37.47 6.61E-04 20 4.41E-08 3.48E-08 6.98E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 80 52.1 37.29 34.74 8.42E-04 20 5.84E-08 4.55E-08 8.32E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 85 52.15 37.96 34.38 8.51E-04 20 5.87E-08 4.68E-08 8.33E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 90 52.2 35.82 41.03 7.09E-04 20 4.60E-08 3.39E-08 8.06E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 95 52.25 33.11 39.86 6.35E-04 20 4.33E-08 2.89E-08 7.05E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 100 52.3 31.28 35.1 6.95E-04 20 5.15E-08 3.20E-08 6.93E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 105 52.35 36.84 36.78 6.31E-04 20 4.29E-08 3.29E-08 6.55E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 110 52.4 35.46 39.41 5.70E-04 20 3.81E-08 2.77E-08 6.27E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 115 52.45 35.6 50.54 4.86E-04 20 2.66E-08 1.95E-08 6.50E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 120 52.5 41.58 53.59 4.48E-04 20 2.11E-08 1.92E-08 6.25E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 125 52.55 46.19 48.32 4.54E-04 20 2.22E-08 2.36E-08 5.88E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 130 52.6 45.71 37.82 5.49E-04 20 3.21E-08 3.37E-08 5.84E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 135 52.65 36.63 34.02 6.62E-04 20 4.67E-08 3.55E-08 6.42E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 140 52.7 33.33 36.31 7.67E-04 20 5.48E-08 3.69E-08 7.88E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 145 52.75 36.97 35.5 7.03E-04 20 4.85E-08 3.73E-08 7.08E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 6 150 52.8 52.27 48.39 2.97E-04 20 1.28E-08 1.69E-08 3.84E-08 03/12/97 Yes Yes 2041 172 1061 C 6 H 7 0 52.8 25.16 38.28 4.06E-04 20 3.06E-08 1.47E-08 4.36E-08 03/12/97 Yes Yes 2043 172 1061 C 6 H 7 5 52.85 38.68 34.32 7.00E-04 20 4.79E-08 3.92E-08 6.84E-08 03/12/97 Yes Yes 2043 172 1061 C 6 H 7 10 52.9 42.28 35.44 6.31E-04 20 4.04E-08 3.75E-08 6.35E-08 03/12/97 Yes Yes 2043 172 1061 C 6 H 7 15 52.95 40.13 32.46 5.86E-04 20 4.01E-08 3.46E-08 5.45E-08 03/12/97 Yes Yes 2043 172 1061 C 6 H 7 20 53 40.99 28.58 6.09E-04 20 4.28E-08 3.81E-08 5.05E-08 03/12/97 Yes Yes 2043 172 1061 C 6 H 7 25 53.05 41.99 30.57 6.00E-04 20 4.07E-08 3.75E-08 5.29E-08 03/12/97 Yes Yes 2043 172 1061 C 6 H 7 30 53.1 44 35.82 6.31E-04 20 3.90E-08 3.85E-08 6.40E-08 03/12/97 Yes Yes 2043 172 1061 C 6 H 7 35 53.15 35.09 43.09 6.29E-04 20 3.99E-08 2.86E-08 7.45E-08 03/12/97 Yes Yes 2043 172 1061 C 6 H 7 40 53.2 30.67 45.05 6.76E-04 20 4.36E-08 2.64E-08 8.29E-08 03/12/97 Yes Yes 2043 172 1061 C 6 H 7 45 53.25 33.17 46.94 6.62E-04 20 4.01E-08 2.68E-08 8.39E-08 03/12/97 Yes Yes 2043 172 1061 C 6 H 7 50 53.3 28.36 48.63 6.53E-04 20 4.03E-08 2.22E-08 8.49E-08 03/12/97 Yes Yes 2043 172 1061 C 6 H 7 55 53.35 25.17 50.75 6.78E-04 20 4.12E-08 1.98E-08 9.10E-08 03/12/97 Yes Yes 2043 172 1061 C 6 H 7 60 53.4 29.63 44.73 6.17E-04 20 4.04E-08 2.35E-08 7.53E-08 03/12/97 Yes Yes 2043 172 1061 C 6 H 7 65 53.45 19.39 33.04 6.67E-04 20 5.59E-08 2.01E-08 6.30E-08 03/12/97 Yes Yes 2043 172 1061 C 6 H 7 70 53.5 18.72 40.79 4.79E-04 20 3.64E-08 1.26E-08 5.43E-08 03/12/97 Yes Yes 2043 172 1061 C 7 H 1 0 53.3 106.23 73.66 2.14E-04 20 -1.79E-09 6.27E-09 3.56E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 5 53.35 106.89 48.98 3.75E-04 20 -7.59E-09 2.56E-08 4.91E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 10 53.4 120.34 42.81 4.13E-04 20 -1.62E-08 2.83E-08 4.86E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 15 53.45 125.79 33.55 4.52E-04 20 -2.34E-08 3.31E-08 4.33E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 20 53.5 124.96 37.8 3.54E-04 20 -1.70E-08 2.49E-08 3.77E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 25 53.55 96.65 55.52 2.59E-04 20 -1.80E-09 1.58E-08 3.70E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 30 53.6 63.68 50.64 2.52E-04 20 7.52E-09 1.55E-08 3.38E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 35 53.65 123.14 52.8 3.43E-04 20 -1.20E-08 1.88E-08 4.73E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 40 53.7 144.92 50.41 4.19E-04 20 -2.32E-08 1.67E-08 5.60E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 45 53.75 132.04 53.58 4.17E-04 20 -1.76E-08 1.99E-08 5.82E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 50 53.8 126.09 55.13 4.50E-04 20 -1.61E-08 2.25E-08 6.40E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 55 53.85 116.95 53.41 4.82E-04 20 -1.38E-08 2.78E-08 6.71E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 60 53.9 109.37 56.33 4.65E-04 20 -9.07E-09 2.64E-08 6.70E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 65 53.95 101.84 60.24 4.54E-04 20 -4.90E-09 2.39E-08 6.83E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 70 54 95.53 60.62 5.02E-04 20 -2.52E-09 2.66E-08 7.58E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 75 54.05 99.64 57.07 4.96E-04 20 -4.79E-09 2.88E-08 7.21E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 80 54.1 87.61 57.26 4.40E-04 20 1.05E-09 2.58E-08 6.41E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 85 54.15 80.37 52.39 4.64E-04 20 5.02E-09 3.03E-08 6.37E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 90 54.2 77.62 51.22 4.88E-04 20 6.95E-09 3.24E-08 6.59E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 95 54.25 72.38 54.42 5.12E-04 20 9.56E-09 3.08E-08 7.22E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 100 54.3 71.31 57.97 4.95E-04 20 8.92E-09 2.70E-08 7.27E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 105 54.35 78.36 62.06 4.42E-04 20 4.43E-09 2.20E-08 6.77E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 110 54.4 92.91 52.43 4.39E-04 20 -1.44E-09 2.90E-08 6.03E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 115 54.45 90.36 49.89 3.86E-04 20 -1.65E-10 2.70E-08 5.12E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 120 54.5 100.79 57.62 2.98E-04 20 -3.17E-09 1.70E-08 4.37E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 125 54.55 158.81 57.49 2.39E-04 20 -1.27E-08 5.04E-09 3.50E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 130 54.6 148.97 56.39 2.20E-04 20 -1.11E-08 6.80E-09 3.17E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 135 54.65 106.7 44.15 2.15E-04 20 -4.70E-09 1.60E-08 2.59E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 140 54.7 96.92 29.3 2.77E-04 20 -3.09E-09 2.60E-08 2.35E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 145 54.75 101.59 32.33 2.34E-04 20 -4.21E-09 2.10E-08 2.17E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 1 150 54.8 114.68 49.4 8.48E-05 20 -2.44E-09 5.44E-09 1.12E-08 03/12/97 Yes Yes 2045 172 1061 C 7 H 2 0 54.8 81.66 44.63 1.38E-04 20 1.51E-09 1.05E-08 1.68E-08 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 5 54.85 89.16 47.01 3.43E-04 20 3.63E-10 2.53E-08 4.35E-08 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 10 54.9 96.8 56.98 3.70E-04 20 -2.54E-09 2.17E-08 5.38E-08 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 15 54.95 93.03 52.5 3.79E-04 20 -1.29E-09 2.50E-08 5.22E-08 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 20 55 89.22 52.03 4.13E-04 20 3.68E-10 2.76E-08 5.64E-08 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 25 55.05 90.15 52.11 4.16E-04 20 -6.93E-11 2.77E-08 5.69E-08 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 30 55.1 85.43 58.72 3.75E-04 20 1.65E-09 2.10E-08 5.55E-08 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 35 55.15 76.61 62.37 3.56E-04 20 4.05E-09 1.74E-08 5.46E-08 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 40 55.2 72.53 58.46 3.55E-04 20 5.91E-09 1.92E-08 5.25E-08 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 45 55.25 70.11 44.63 3.91E-04 20 1.00E-08 2.84E-08 4.76E-08 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 50 55.3 80.15 41.05 3.40E-04 20 4.65E-09 2.74E-08 3.87E-08 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 55 55.35 80.34 43.31 2.77E-04 20 3.59E-09 2.16E-08 3.30E-08 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 60 55.4 82.4 49.44 3.03E-04 20 2.76E-09 2.12E-08 3.99E-08 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 65 55.45 102.18 55.75 3.08E-04 20 -3.87E-09 1.84E-08 4.41E-08 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 70 55.5 101.31 48.98 3.34E-04 20 -4.56E-09 2.33E-08 4.37E-08 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 75 55.55 116.49 45.07 3.17E-04 20 -1.06E-08 2.17E-08 3.89E-08 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 80 55.6 142.61 58.85 2.66E-04 20 -1.16E-08 9.07E-09 3.95E-08 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 85 55.65 108.98 80.39 2.52E-04 20 -1.45E-09 4.31E-09 4.30E-08 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 90 55.7 19.43 86.73 2.70E-04 20 1.54E-09 5.55E-10 4.67E-08 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 95 55.75 103.01 77.15 2.49E-04 20 -1.32E-09 5.85E-09 4.21E-08 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 100 55.8 102.77 67.32 2.16E-04 20 -1.95E-09 8.81E-09 3.46E-08 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 105 55.85 94.32 50.13 2.33E-04 20 -1.19E-09 1.62E-08 3.10E-08 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 110 55.9 105.19 30.54 3.95E-04 20 -9.45E-09 3.56E-08 3.48E-08 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 115 55.95 110.92 26.64 7.42E-04 20 -2.51E-08 6.72E-08 5.77E-08 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 120 56 280.74 28.9 2.51E-03 20 4.35E-08 -2.34E-07 2.11E-07 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 125 56.05 294.14 43.59 8.17E-03 20 2.57E-07 -5.86E-07 9.77E-07 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 130 56.1 103.65 38.28 5.33E-03 20 -1.05E-07 4.41E-07 5.73E-07 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 135 56.15 122.74 43.53 8.10E-04 20 -3.37E-08 5.36E-08 9.67E-08 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 140 56.2 280.14 16.02 3.91E-04 20 7.02E-09 -4.01E-08 1.87E-08 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 145 56.25 287.06 10.93 3.70E-04 20 1.13E-08 -3.77E-08 1.22E-08 03/12/97 Yes Yes 2047 172 1061 C 7 H 2 150 56.3 283.58 30.87 9.38E-05 20 2.01E-09 -8.49E-09 8.35E-09 03/12/97 Yes Yes 2047 172 1061 C 7 H 3 0 56.3 12.63 63.89 1.19E-04 20 5.43E-09 1.24E-09 1.86E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 5 56.35 58.82 69.32 1.44E-04 20 2.79E-09 4.71E-09 2.33E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 10 56.4 19.27 75.07 1.36E-04 20 3.52E-09 1.26E-09 2.28E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 15 56.45 25.5 75.16 1.65E-04 20 4.04E-09 1.97E-09 2.76E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 20 56.5 67.7 79.02 2.12E-04 20 1.62E-09 4.05E-09 3.61E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 25 56.55 116.53 78.74 2.36E-04 20 -2.18E-09 4.46E-09 4.00E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 30 56.6 130.32 80.78 2.29E-04 20 -2.51E-09 3.03E-09 3.91E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 35 56.65 121.61 75.73 2.21E-04 20 -3.02E-09 5.02E-09 3.71E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 40 56.7 109.94 64.51 2.24E-04 20 -3.49E-09 9.84E-09 3.51E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 45 56.75 118.24 55.95 2.50E-04 20 -7.03E-09 1.34E-08 3.59E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 50 56.8 112.3 60.08 2.59E-04 20 -5.20E-09 1.30E-08 3.89E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 55 56.85 107.79 64.53 2.41E-04 20 -3.36E-09 1.07E-08 3.77E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 60 56.9 93.55 56 2.60E-04 20 -9.55E-10 1.57E-08 3.73E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 65 56.95 106.77 46.47 3.00E-04 20 -6.32E-09 2.14E-08 3.77E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 70 57 116.38 40.6 3.54E-04 20 -1.27E-08 2.61E-08 4.00E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 75 57.05 114.94 38.16 3.78E-04 20 -1.33E-08 2.92E-08 4.05E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 80 57.1 114.84 40.06 3.44E-04 20 -1.17E-08 2.59E-08 3.83E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 85 57.15 116.51 47.15 2.99E-04 20 -9.63E-09 1.97E-08 3.80E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 90 57.2 121 51.66 3.04E-04 20 -1.03E-08 1.75E-08 4.13E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 95 57.25 127.11 52.81 3.47E-04 20 -1.34E-08 1.82E-08 4.80E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 100 57.3 128.01 49.82 4.15E-04 20 -1.75E-08 2.29E-08 5.50E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 105 57.35 131.68 47.36 4.20E-04 20 -2.00E-08 2.30E-08 5.35E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 110 57.4 132.69 49.23 3.30E-04 20 -1.55E-08 1.72E-08 4.33E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 115 57.45 134.65 60.13 2.35E-04 20 -8.73E-09 9.04E-09 3.54E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 120 57.5 146.04 63.86 2.41E-04 20 -9.32E-09 6.42E-09 3.74E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 125 57.55 154.54 61.87 2.83E-04 20 -1.28E-08 6.22E-09 4.32E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 130 57.6 150.43 58.08 3.10E-04 20 -1.51E-08 8.77E-09 4.56E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 135 57.65 144.84 53.83 3.08E-04 20 -1.58E-08 1.14E-08 4.31E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 140 57.7 133.46 49.78 2.98E-04 20 -1.40E-08 1.51E-08 3.94E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 145 57.75 140.37 41.18 3.00E-04 20 -1.84E-08 1.56E-08 3.42E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 3 150 57.8 145.66 38.42 1.50E-04 20 -1.03E-08 7.18E-09 1.61E-08 03/12/97 Yes Yes 2049 172 1061 C 7 H 4 0 57.8 127 55.77 1.38E-04 20 -4.95E-09 6.72E-09 1.98E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 5 57.85 131.8 41.79 3.00E-04 20 -1.58E-08 1.81E-08 3.47E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 10 57.9 125.84 45.49 3.09E-04 20 -1.35E-08 1.91E-08 3.82E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 15 57.95 114.74 50.75 2.37E-04 20 -6.66E-09 1.48E-08 3.18E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 20 58 129.13 81.01 1.55E-04 20 -1.62E-09 2.04E-09 2.66E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 25 58.05 204.53 68.78 1.53E-04 20 -5.36E-09 -2.50E-09 2.48E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 30 58.1 141.24 58.45 1.53E-04 20 -6.64E-09 5.45E-09 2.27E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 35 58.15 121.64 38.56 1.76E-04 20 -7.65E-09 1.27E-08 1.90E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 40 58.2 116.91 46.54 1.59E-04 20 -5.24E-09 1.06E-08 2.00E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 45 58.25 121.86 58.37 1.70E-04 20 -4.99E-09 8.21E-09 2.51E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 50 58.3 127.21 55.22 2.07E-04 20 -7.57E-09 1.02E-08 2.94E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 55 58.35 125.02 55.41 2.15E-04 20 -7.42E-09 1.08E-08 3.07E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 60 58.4 134.72 60.11 2.26E-04 20 -8.41E-09 8.68E-09 3.40E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 65 58.45 132.08 62.69 2.23E-04 20 -7.28E-09 8.24E-09 3.44E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 70 58.5 134.53 58.72 2.34E-04 20 -9.02E-09 9.38E-09 3.46E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 75 58.55 131.63 58.03 2.40E-04 20 -8.96E-09 1.03E-08 3.53E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 80 58.6 131.14 58.79 2.48E-04 20 -8.96E-09 1.05E-08 3.67E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 85 58.65 142.27 59.24 2.52E-04 20 -1.08E-08 8.55E-09 3.75E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 90 58.7 135.61 61.96 2.73E-04 20 -9.73E-09 9.74E-09 4.18E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 95 58.75 128.88 62.99 3.09E-04 20 -9.33E-09 1.18E-08 4.77E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 100 58.8 125.25 66.93 3.22E-04 20 -7.72E-09 1.12E-08 5.13E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 105 58.85 123 63.61 3.64E-04 20 -9.34E-09 1.47E-08 5.65E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 110 58.9 125.46 60.54 4.05E-04 20 -1.23E-08 1.76E-08 6.12E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 115 58.95 127.57 59.75 4.34E-04 20 -1.41E-08 1.88E-08 6.49E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 120 59 130.35 60.22 4.37E-04 20 -1.49E-08 1.79E-08 6.57E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 125 59.05 125.21 56.5 4.45E-04 20 -1.50E-08 2.18E-08 6.44E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 130 59.1 125.41 51.71 4.79E-04 20 -1.82E-08 2.62E-08 6.51E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 135 59.15 122 47.34 4.97E-04 20 -1.89E-08 3.10E-08 6.34E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 140 59.2 118.12 47.97 4.54E-04 20 -1.52E-08 2.91E-08 5.84E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 145 59.25 123.17 52.57 3.54E-04 20 -1.25E-08 1.95E-08 4.88E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 4 150 59.3 143.33 59.4 1.60E-04 20 -6.92E-09 5.27E-09 2.38E-08 03/12/97 Yes Yes 2051 172 1061 C 7 H 5 0 59.3 102.54 54.77 1.51E-04 20 -2.01E-09 9.22E-09 2.14E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 5 59.35 123.56 52.02 2.31E-04 20 -8.34E-09 1.28E-08 3.16E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 10 59.4 123.12 62.96 1.75E-04 20 -4.60E-09 7.21E-09 2.70E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 15 59.45 114.63 65.82 1.42E-04 20 -2.58E-09 5.75E-09 2.25E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 20 59.5 85.64 77.2 1.44E-04 20 2.57E-10 3.45E-09 2.43E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 25 59.55 44.34 75.85 2.36E-04 20 4.38E-09 4.37E-09 3.97E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 30 59.6 97.05 72.18 3.84E-04 20 -1.53E-09 1.27E-08 6.35E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 35 59.65 123.93 60.56 4.58E-04 20 -1.33E-08 2.03E-08 6.91E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 40 59.7 124.24 60.23 2.95E-04 20 -8.73E-09 1.31E-08 4.43E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 45 59.75 123.44 68.01 1.79E-04 20 -3.92E-09 6.07E-09 2.88E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 50 59.8 138.77 65.67 1.42E-04 20 -4.68E-09 4.19E-09 2.25E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 55 59.85 115.88 71.48 1.39E-04 20 -2.04E-09 4.31E-09 2.28E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 60 59.9 89.04 68.64 1.52E-04 20 9.85E-11 6.01E-09 2.46E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 65 59.95 100.51 66.97 1.47E-04 20 -1.11E-09 6.12E-09 2.34E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 70 60 132.15 58.86 1.34E-04 20 -4.94E-09 5.58E-09 1.99E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 75 60.05 141.3 65.33 1.22E-04 20 -4.23E-09 3.46E-09 1.93E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 80 60.1 157.2 67.4 1.34E-04 20 -5.03E-09 2.16E-09 2.14E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 85 60.15 162.17 62.15 1.53E-04 20 -7.22E-09 2.37E-09 2.35E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 90 60.2 158.76 55.66 1.64E-04 20 -9.14E-09 3.63E-09 2.35E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 95 60.25 156.15 62.87 1.64E-04 20 -7.26E-09 3.28E-09 2.53E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 100 60.3 132.28 63.04 1.73E-04 20 -5.60E-09 6.29E-09 2.67E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 105 60.35 115.71 58.68 1.86E-04 20 -4.46E-09 9.47E-09 2.76E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 110 60.4 108.01 48.08 2.04E-04 20 -4.46E-09 1.40E-08 2.63E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 115 60.45 101.63 48.11 2.07E-04 20 -2.95E-09 1.47E-08 2.67E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 120 60.5 119.53 49.62 2.41E-04 20 -8.16E-09 1.47E-08 3.18E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 125 60.55 123.07 54.18 2.62E-04 20 -8.89E-09 1.40E-08 3.69E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 130 60.6 98.75 61.9 2.33E-04 20 -1.77E-09 1.17E-08 3.56E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 135 60.65 78.07 54.83 2.48E-04 20 3.13E-09 1.52E-08 3.51E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 140 60.7 95.22 48.05 2.45E-04 20 -1.58E-09 1.77E-08 3.16E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 145 60.75 107.24 37.71 2.37E-04 20 -5.90E-09 1.94E-08 2.52E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 5 150 60.8 115.26 40.28 9.37E-05 20 -3.24E-09 7.01E-09 1.05E-08 03/12/97 Yes Yes 2053 172 1061 C 7 H 6 0 60.8 86.58 41.62 1.28E-04 20 6.05E-10 1.03E-08 1.47E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 5 60.85 109.68 43.52 1.99E-04 20 -5.15E-09 1.47E-08 2.37E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 10 60.9 125.37 54.99 1.86E-04 20 -6.54E-09 9.43E-09 2.64E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 15 60.95 143.11 69 1.89E-04 20 -5.74E-09 4.41E-09 3.06E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 20 61 152.53 76.51 2.05E-04 20 -4.50E-09 2.39E-09 3.45E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 25 61.05 116.07 77.5 2.08E-04 20 -2.10E-09 4.38E-09 3.52E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 30 61.1 107.85 67.73 2.41E-04 20 -2.97E-09 9.43E-09 3.87E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 35 61.15 108.22 58.66 2.62E-04 20 -4.52E-09 1.40E-08 3.88E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 40 61.2 95.94 50.41 2.94E-04 20 -2.05E-09 2.02E-08 3.92E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 45 61.25 95.33 51.02 3.05E-04 20 -1.89E-09 2.07E-08 4.11E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 50 61.3 96.03 54.12 3.28E-04 20 -2.15E-09 2.08E-08 4.61E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 55 61.35 103.65 57.99 3.60E-04 20 -4.77E-09 2.01E-08 5.29E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 60 61.4 105.48 55.27 4.21E-04 20 -6.79E-09 2.51E-08 6.00E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 65 61.45 114.39 53.23 4.35E-04 20 -1.14E-08 2.57E-08 6.04E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 70 61.5 126.66 54.11 3.95E-04 20 -1.47E-08 2.02E-08 5.55E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 75 61.55 126.11 50.35 4.30E-04 20 -1.71E-08 2.40E-08 5.74E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 80 61.6 118.88 50.55 4.26E-04 20 -1.39E-08 2.57E-08 5.71E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 85 61.65 117.96 53.33 4.06E-04 20 -1.21E-08 2.32E-08 5.65E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 90 61.7 108.49 51.22 4.31E-04 20 -9.09E-09 2.78E-08 5.83E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 95 61.75 103.33 50.73 4.64E-04 20 -7.18E-09 3.10E-08 6.22E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 100 61.8 109.38 46.83 5.29E-04 20 -1.27E-08 3.70E-08 6.68E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 105 61.85 114.44 49.11 5.31E-04 20 -1.52E-08 3.43E-08 6.96E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 110 61.9 119.48 52.33 4.87E-04 20 -1.55E-08 2.81E-08 6.69E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 115 61.95 121.9 53.72 4.72E-04 20 -1.57E-08 2.57E-08 6.60E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 120 62 131.35 53.29 4.67E-04 20 -1.96E-08 2.27E-08 6.49E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 125 62.05 129.26 49.69 5.05E-04 20 -2.19E-08 2.74E-08 6.68E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 130 62.1 122.36 45.88 5.51E-04 20 -2.18E-08 3.52E-08 6.86E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 135 62.15 120.91 47.89 5.20E-04 20 -1.90E-08 3.25E-08 6.69E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 140 62.2 124.05 45.6 5.00E-04 20 -2.08E-08 3.14E-08 6.19E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 145 62.25 131.96 39.37 4.95E-04 20 -2.72E-08 3.09E-08 5.45E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 6 150 62.3 138.95 40.44 2.20E-04 20 -1.34E-08 1.19E-08 2.47E-08 03/12/97 Yes Yes 2055 172 1061 C 7 H 7 0 62.3 128.11 56.53 2.15E-04 20 -7.76E-09 1.01E-08 3.11E-08 03/12/97 Yes Yes 2057 172 1061 C 7 H 7 5 62.35 146.66 47.55 4.89E-04 20 -2.92E-08 1.97E-08 6.25E-08 03/12/97 Yes Yes 2057 172 1061 C 7 H 7 10 62.4 168.41 54.71 5.46E-04 20 -3.28E-08 6.88E-09 7.73E-08 03/12/97 Yes Yes 2057 172 1061 C 7 H 7 15 62.45 165.17 52.54 6.79E-04 20 -4.24E-08 1.15E-08 9.35E-08 03/12/97 Yes Yes 2057 172 1061 C 7 H 7 20 62.5 149.09 49.79 6.93E-04 20 -4.07E-08 2.49E-08 9.18E-08 03/12/97 Yes Yes 2057 172 1061 C 7 H 7 25 62.55 148.13 46.39 5.49E-04 20 -3.41E-08 2.17E-08 6.90E-08 03/12/97 Yes Yes 2057 172 1061 C 7 H 7 30 62.6 140.1 52.03 4.17E-04 20 -2.09E-08 1.78E-08 5.69E-08 03/12/97 Yes Yes 2057 172 1061 C 7 H 7 35 62.65 131.27 55.24 4.07E-04 20 -1.62E-08 1.89E-08 5.80E-08 03/12/97 Yes Yes 2057 172 1061 C 7 H 7 40 62.7 127.76 50.9 4.63E-04 20 -1.90E-08 2.50E-08 6.23E-08 03/12/97 Yes Yes 2057 172 1061 C 7 H 7 45 62.75 127.5 48.17 5.27E-04 20 -2.27E-08 3.02E-08 6.81E-08 03/12/97 Yes Yes 2057 172 1061 C 7 H 7 50 62.8 118.82 58.38 4.67E-04 20 -1.25E-08 2.33E-08 6.90E-08 03/12/97 Yes Yes 2057 172 1061 C 7 H 7 55 62.85 132.55 60.14 5.06E-04 20 -1.81E-08 2.01E-08 7.60E-08 03/12/97 Yes Yes 2057 172 1061 C 7 H 7 60 62.9 144.02 55.05 4.25E-04 20 -2.09E-08 1.55E-08 6.04E-08 03/12/97 Yes Yes 2057 172 1061 C 7 H 7 65 62.95 118.05 55.28 4.08E-04 20 -1.16E-08 2.22E-08 5.82E-08 03/12/97 Yes Yes 2057 172 1061 C 7 H 7 70 63 97.99 49.9 4.46E-04 20 -4.23E-09 3.08E-08 5.91E-08 03/12/97 Yes Yes 2057 172 1061 C 8 H 1 0 62.8 344.86 46.28 1.36E-04 20 9.64E-09 -2.67E-09 1.71E-08 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 5 62.85 321.85 41.58 3.24E-04 20 2.02E-08 -1.63E-08 3.73E-08 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 10 62.9 310.29 51.4 3.61E-04 20 1.55E-08 -1.86E-08 4.89E-08 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 15 62.95 300.95 46.56 5.04E-04 20 1.89E-08 -3.22E-08 6.34E-08 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 20 63 304.62 42.17 7.25E-04 20 3.24E-08 -4.80E-08 8.44E-08 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 25 63.05 305.78 41.13 8.74E-04 20 4.08E-08 -5.79E-08 9.96E-08 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 30 63.1 299.58 42.9 9.33E-04 20 3.58E-08 -6.45E-08 1.10E-07 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 35 63.15 304.24 41.38 9.10E-04 20 4.08E-08 -6.12E-08 1.04E-07 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 40 63.2 318.52 24.7 1.95E-03 20 1.41E-07 -1.28E-07 1.42E-07 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 45 63.25 314.82 23.99 3.53E-03 20 2.41E-07 -2.48E-07 2.49E-07 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 50 63.3 316.86 29.69 4.14E-03 20 2.79E-07 -2.67E-07 3.56E-07 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 55 63.35 324.88 44.28 2.75E-03 20 1.71E-07 -1.23E-07 3.33E-07 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 60 63.4 311.86 61.4 1.17E-03 20 3.95E-08 -4.51E-08 1.78E-07 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 65 63.45 298.49 43.15 1.19E-03 20 4.38E-08 -8.26E-08 1.41E-07 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 70 63.5 316.27 44.51 1.05E-03 20 5.75E-08 -5.63E-08 1.28E-07 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 75 63.55 335.08 43.22 7.02E-04 20 4.92E-08 -2.34E-08 8.34E-08 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 80 63.6 330.86 39.05 6.41E-04 20 4.61E-08 -2.63E-08 7.00E-08 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 85 63.65 328.1 39.29 6.08E-04 20 4.23E-08 -2.70E-08 6.67E-08 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 90 63.7 328.06 39.07 5.33E-04 20 3.72E-08 -2.37E-08 5.82E-08 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 95 63.75 326.61 37.15 5.09E-04 20 3.59E-08 -2.42E-08 5.33E-08 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 100 63.8 319.64 34.62 5.29E-04 20 3.52E-08 -3.06E-08 5.21E-08 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 105 63.85 318.48 37.04 4.88E-04 20 3.10E-08 -2.80E-08 5.10E-08 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 110 63.9 321.05 38.26 5.36E-04 20 3.47E-08 -2.87E-08 5.75E-08 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 115 63.95 321.51 41.78 5.89E-04 20 3.65E-08 -2.96E-08 6.80E-08 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 120 64 319.84 45.58 6.03E-04 20 3.42E-08 -2.95E-08 7.47E-08 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 125 64.05 317.15 58.02 6.10E-04 20 2.51E-08 -2.38E-08 8.97E-08 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 130 64.1 328.21 75.9 6.79E-04 20 1.49E-08 -9.45E-09 1.14E-07 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 135 64.15 321.21 42.29 1.84E-03 20 1.12E-07 -9.24E-08 2.14E-07 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 140 64.2 303.62 31.04 4.20E-03 20 2.11E-07 -3.25E-07 3.76E-07 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 145 64.25 299.52 36.14 2.41E-03 20 1.02E-07 -1.84E-07 2.47E-07 03/12/97 Yes Yes 2059 172 1061 C 8 H 1 150 64.3 334.35 75.71 5.06E-04 20 1.19E-08 -5.87E-09 8.50E-08 03/12/97 Yes Yes 2059 172 1061 C 8 H 2 0 64.3 331.33 39.63 2.45E-04 20 1.76E-08 -9.82E-09 2.71E-08 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 5 64.35 313.36 22.19 1.41E-03 20 9.48E-08 -1.03E-07 9.21E-08 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 10 64.4 309.24 27.6 1.35E-03 20 8.01E-08 -1.00E-07 1.08E-07 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 15 64.45 314.26 45.27 5.71E-04 20 2.98E-08 -3.12E-08 7.03E-08 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 20 64.5 325.44 45.51 4.22E-04 20 2.58E-08 -1.82E-08 5.22E-08 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 25 64.55 324.51 38.85 4.05E-04 20 2.72E-08 -1.99E-08 4.40E-08 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 30 64.6 327.7 33.43 3.65E-04 20 2.73E-08 -1.76E-08 3.48E-08 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 35 64.65 349.36 47.21 3.18E-04 20 2.25E-08 -4.32E-09 4.04E-08 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 40 64.7 341.35 54.59 4.34E-04 20 2.53E-08 -8.72E-09 6.13E-08 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 45 64.75 300.18 26.27 7.92E-04 20 3.79E-08 -6.66E-08 6.08E-08 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 50 64.8 297.12 43.13 3.89E-04 20 1.37E-08 -2.74E-08 4.62E-08 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 55 64.85 321.23 35.23 3.26E-04 20 2.20E-08 -1.81E-08 3.26E-08 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 60 64.9 329.75 31.39 4.77E-04 20 3.73E-08 -2.23E-08 4.31E-08 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 65 64.95 347.85 59.18 3.17E-04 20 1.68E-08 -3.71E-09 4.72E-08 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 70 65 331.54 79.94 3.25E-04 20 5.30E-09 -2.94E-09 5.55E-08 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 75 65.05 326.69 34.19 9.01E-04 20 6.60E-08 -4.44E-08 8.78E-08 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 80 65.1 325.04 23.76 2.28E-03 20 1.81E-07 -1.30E-07 1.59E-07 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 85 65.15 316.33 32.53 1.59E-03 20 1.03E-07 -1.01E-07 1.48E-07 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 90 65.2 318.87 33.93 1.47E-03 20 9.74E-08 -8.70E-08 1.42E-07 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 95 65.25 320.06 32.91 1.54E-03 20 1.05E-07 -8.98E-08 1.45E-07 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 100 65.3 338.01 33.62 1.65E-03 20 1.35E-07 -5.58E-08 1.58E-07 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 105 65.35 335.64 40.52 1.45E-03 20 1.07E-07 -4.93E-08 1.63E-07 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 110 65.4 327.73 49.08 9.80E-04 20 5.76E-08 -3.72E-08 1.28E-07 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 115 65.45 324.81 42.11 8.53E-04 20 5.48E-08 -3.95E-08 9.91E-08 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 120 65.5 321.74 38.74 9.04E-04 20 5.87E-08 -4.73E-08 9.81E-08 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 125 65.55 314.01 51.29 6.02E-04 20 2.77E-08 -2.94E-08 8.14E-08 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 130 65.6 308.8 44.06 6.51E-04 20 3.11E-08 -3.95E-08 7.84E-08 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 135 65.65 305.36 29.04 9.04E-04 20 4.85E-08 -6.99E-08 7.61E-08 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 140 65.7 310.84 22.9 1.07E-03 20 6.82E-08 -8.07E-08 7.20E-08 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 145 65.75 322.87 30.03 6.64E-04 20 4.86E-08 -3.77E-08 5.76E-08 03/12/97 Yes Yes 2061 172 1061 C 8 H 2 150 65.8 337.97 55.76 1.95E-04 20 1.08E-08 -4.47E-09 2.80E-08 03/12/97 Yes Yes 2061 172 1061 C 8 H 3 0 65.8 329.09 26.26 3.45E-04 20 2.81E-08 -1.72E-08 2.65E-08 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 5 65.85 320.73 22.57 8.11E-04 20 6.15E-08 -5.14E-08 5.39E-08 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 10 65.9 320.81 26.5 6.52E-04 20 4.80E-08 -4.00E-08 5.04E-08 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 15 65.95 318.55 27.01 5.23E-04 20 3.70E-08 -3.34E-08 4.11E-08 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 20 66 318.21 36.22 4.01E-04 20 2.56E-08 -2.34E-08 4.10E-08 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 25 66.05 314.49 44.67 3.27E-04 20 1.73E-08 -1.80E-08 3.99E-08 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 30 66.1 311.05 54.36 3.22E-04 20 1.31E-08 -1.53E-08 4.53E-08 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 35 66.15 311.25 34.72 6.68E-04 20 3.84E-08 -4.48E-08 6.59E-08 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 40 66.2 301.9 24.85 1.41E-03 20 7.18E-08 -1.18E-07 1.03E-07 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 45 66.25 291.84 39.61 9.91E-04 20 3.01E-08 -7.69E-08 1.10E-07 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 50 66.3 293.23 23.11 1.89E-03 20 7.27E-08 -1.73E-07 1.29E-07 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 55 66.35 299.59 20.62 2.73E-03 20 1.34E-07 -2.41E-07 1.67E-07 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 60 66.4 305.96 34.26 1.34E-03 20 6.91E-08 -9.74E-08 1.31E-07 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 65 66.45 320.65 39.2 8.66E-04 20 5.50E-08 -4.61E-08 9.48E-08 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 70 66.5 325.13 32.93 8.93E-04 20 6.53E-08 -4.65E-08 8.42E-08 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 75 66.55 322.31 33.52 8.97E-04 20 6.28E-08 -4.96E-08 8.59E-08 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 80 66.6 318.58 39.84 6.19E-04 20 3.78E-08 -3.41E-08 6.88E-08 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 85 66.65 320.41 37.59 6.27E-04 20 4.06E-08 -3.43E-08 6.63E-08 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 90 66.7 319.81 38.89 7.17E-04 20 4.52E-08 -3.91E-08 7.81E-08 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 95 66.75 324.32 49.28 6.61E-04 20 3.71E-08 -2.73E-08 8.68E-08 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 100 66.8 313.32 46.61 8.55E-04 20 4.28E-08 -4.64E-08 1.08E-07 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 105 66.85 305.86 47.02 1.16E-03 20 4.92E-08 -6.97E-08 1.47E-07 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 110 66.9 296.49 47.54 1.13E-03 20 3.62E-08 -7.43E-08 1.45E-07 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 115 66.95 290.43 45.68 1.11E-03 20 2.87E-08 -7.88E-08 1.38E-07 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 120 67 313.78 51.18 1.22E-03 20 5.60E-08 -5.98E-08 1.65E-07 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 125 67.05 303.54 37.68 2.61E-03 20 1.21E-07 -1.87E-07 2.77E-07 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 130 67.1 288.45 35.18 2.21E-03 20 6.07E-08 -1.86E-07 2.21E-07 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 135 67.15 296.25 51.11 7.99E-04 20 2.35E-08 -4.88E-08 1.08E-07 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 140 67.2 298.99 33.6 8.04E-04 20 3.44E-08 -6.35E-08 7.71E-08 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 145 67.25 302.52 28.6 9.69E-04 20 4.85E-08 -7.78E-08 8.04E-08 03/12/97 Yes Yes 2063 172 1061 C 8 H 3 150 67.3 301.79 38.2 4.25E-04 20 1.86E-08 -3.08E-08 4.55E-08 03/12/97 Yes Yes 2063 172 1061 C 8 H 4 0 67.3 314.94 34.4 1.86E-04 20 1.15E-08 -1.18E-08 1.83E-08 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 5 67.35 305.63 23.94 5.96E-04 20 3.37E-08 -4.80E-08 4.20E-08 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 10 67.4 309.11 21.83 7.71E-04 20 4.79E-08 -6.03E-08 4.97E-08 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 15 67.45 308.99 18.96 8.75E-04 20 5.52E-08 -6.98E-08 4.93E-08 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 20 67.5 310.94 19.68 7.84E-04 20 5.13E-08 -6.05E-08 4.58E-08 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 25 67.55 310.58 25.85 6.13E-04 20 3.81E-08 -4.55E-08 4.64E-08 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 30 67.6 310.79 30.5 5.18E-04 20 3.10E-08 -3.67E-08 4.56E-08 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 35 67.65 309.55 26.72 5.26E-04 20 3.17E-08 -3.93E-08 4.10E-08 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 40 67.7 313.14 23.99 5.85E-04 20 3.88E-08 -4.23E-08 4.12E-08 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 45 67.75 314.92 22.26 7.48E-04 20 5.18E-08 -5.32E-08 4.91E-08 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 50 67.8 315.05 20.7 1.05E-03 20 7.37E-08 -7.52E-08 6.43E-08 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 55 67.85 314.84 24.2 1.10E-03 20 7.48E-08 -7.69E-08 7.79E-08 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 60 67.9 307.67 32.94 1.02E-03 20 5.54E-08 -7.34E-08 9.60E-08 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 65 67.95 303.53 47.07 8.13E-04 20 3.24E-08 -5.01E-08 1.03E-07 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 70 68 299.51 50.1 9.49E-04 20 3.18E-08 -5.75E-08 1.26E-07 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 75 68.05 294.67 52.55 1.07E-03 20 2.89E-08 -6.43E-08 1.48E-07 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 80 68.1 291.04 52 1.14E-03 20 2.68E-08 -7.13E-08 1.56E-07 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 85 68.15 285.03 58.04 9.03E-04 20 1.31E-08 -5.00E-08 1.33E-07 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 90 68.2 292.89 63.62 6.89E-04 20 1.26E-08 -3.06E-08 1.07E-07 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 95 68.25 305.41 53.64 8.87E-04 20 3.23E-08 -4.65E-08 1.24E-07 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 100 68.3 301.87 49.85 1.02E-03 20 3.70E-08 -6.08E-08 1.36E-07 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 105 68.35 303.96 42.73 1.01E-03 20 4.42E-08 -6.70E-08 1.19E-07 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 110 68.4 297.9 37.02 9.83E-04 20 3.89E-08 -7.52E-08 1.03E-07 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 115 68.45 296.58 40.49 7.50E-04 20 2.71E-08 -5.54E-08 8.45E-08 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 120 68.5 300.55 41.77 6.25E-04 20 2.51E-08 -4.35E-08 7.22E-08 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 125 68.55 298.64 34.49 7.17E-04 20 3.01E-08 -5.63E-08 7.04E-08 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 130 68.6 296.47 38.3 6.95E-04 20 2.58E-08 -5.30E-08 7.47E-08 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 135 68.65 303.48 40.14 7.51E-04 20 3.36E-08 -5.20E-08 8.40E-08 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 140 68.7 303.6 35.49 1.02E-03 20 4.88E-08 -7.52E-08 1.03E-07 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 145 68.75 298.24 30.22 1.12E-03 20 4.85E-08 -9.23E-08 9.76E-08 03/12/97 Yes Yes 2065 172 1061 C 8 H 4 150 68.8 289.63 38.28 5.71E-04 20 1.60E-08 -4.58E-08 6.13E-08 03/12/97 Yes Yes 2065 172 1061 C 8 H 5 0 68.8 294.56 36.16 4.60E-04 20 1.64E-08 -3.66E-08 4.71E-08 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 5 68.85 295.61 27.83 1.17E-03 20 4.74E-08 -1.01E-07 9.45E-08 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 10 68.9 297.6 30.69 1.15E-03 20 4.88E-08 -9.54E-08 1.02E-07 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 15 68.95 296.86 34.55 9.67E-04 20 3.82E-08 -7.71E-08 9.51E-08 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 20 69 297.45 35.71 9.19E-04 20 3.65E-08 -7.18E-08 9.30E-08 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 25 69.05 297.79 40.64 9.12E-04 20 3.42E-08 -6.64E-08 1.03E-07 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 30 69.1 293.27 43.05 8.81E-04 20 2.70E-08 -6.42E-08 1.04E-07 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 35 69.15 289.35 41.71 8.38E-04 20 2.20E-08 -6.40E-08 9.67E-08 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 40 69.2 289.38 38.81 9.68E-04 20 2.66E-08 -7.72E-08 1.05E-07 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 45 69.25 293.34 36.2 1.08E-03 20 3.65E-08 -8.65E-08 1.10E-07 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 50 69.3 298.82 33.97 1.23E-03 20 5.21E-08 -9.69E-08 1.19E-07 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 55 69.35 302.67 35.55 1.31E-03 20 6.12E-08 -9.76E-08 1.32E-07 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 60 69.4 304.1 38.53 1.35E-03 20 6.26E-08 -9.45E-08 1.45E-07 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 65 69.45 305.11 41.78 1.19E-03 20 5.43E-08 -7.89E-08 1.38E-07 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 70 69.5 305.14 42.39 1.13E-03 20 5.09E-08 -7.40E-08 1.32E-07 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 75 69.55 306.35 39.15 1.26E-03 20 6.15E-08 -8.55E-08 1.38E-07 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 80 69.6 301.83 39.78 1.34E-03 20 5.77E-08 -9.51E-08 1.49E-07 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 85 69.65 299.04 42.24 1.14E-03 20 4.36E-08 -8.02E-08 1.33E-07 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 90 69.7 302.26 45.23 1.07E-03 20 4.27E-08 -6.92E-08 1.32E-07 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 95 69.75 306.85 40.98 1.26E-03 20 6.06E-08 -8.26E-08 1.43E-07 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 100 69.8 303.86 42.31 1.47E-03 20 6.41E-08 -9.77E-08 1.71E-07 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 105 69.85 308.24 43.51 1.51E-03 20 7.19E-08 -9.33E-08 1.80E-07 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 110 69.9 305.32 43.5 1.70E-03 20 7.55E-08 -1.09E-07 2.03E-07 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 115 69.95 301.28 42.82 1.59E-03 20 6.43E-08 -1.08E-07 1.87E-07 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 120 70 305.58 37.91 1.93E-03 20 9.39E-08 -1.34E-07 2.05E-07 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 125 70.05 309.29 42.05 2.00E-03 20 9.97E-08 -1.25E-07 2.32E-07 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 130 70.1 315.55 46.72 1.96E-03 20 1.02E-07 -1.02E-07 2.47E-07 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 135 70.15 308.07 40.85 2.10E-03 20 1.04E-07 -1.36E-07 2.38E-07 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 140 70.2 304.53 37.9 1.87E-03 20 8.90E-08 -1.32E-07 2.00E-07 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 145 70.25 306.76 36.84 1.41E-03 20 7.17E-08 -9.82E-08 1.47E-07 03/12/97 Yes Yes 2067 172 1061 C 8 H 5 150 70.3 296.88 56.22 5.08E-04 20 1.36E-08 -2.73E-08 7.33E-08 03/12/97 Yes Yes 2067 172 1061 C 8 H 6 0 70.3 310.07 36.74 5.08E-04 20 2.78E-08 -3.38E-08 5.27E-08 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 5 70.35 303.87 32.49 1.14E-03 20 5.69E-08 -8.67E-08 1.06E-07 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 10 70.4 305.43 34.18 1.34E-03 20 6.84E-08 -9.83E-08 1.31E-07 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 15 70.45 306.39 38.9 1.18E-03 20 5.78E-08 -8.01E-08 1.28E-07 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 20 70.5 313.64 39.53 1.03E-03 20 5.82E-08 -6.24E-08 1.14E-07 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 25 70.55 316.45 38.45 9.61E-04 20 5.78E-08 -5.62E-08 1.04E-07 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 30 70.6 312.03 38.01 9.05E-04 20 5.06E-08 -5.74E-08 9.66E-08 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 35 70.65 316.09 40.74 7.29E-04 20 4.22E-08 -4.15E-08 8.25E-08 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 40 70.7 319.69 43.5 6.09E-04 20 3.58E-08 -3.10E-08 7.27E-08 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 45 70.75 312.32 36.24 7.29E-04 20 4.20E-08 -4.72E-08 7.47E-08 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 50 70.8 308.05 38.39 7.37E-04 20 3.78E-08 -4.94E-08 7.94E-08 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 55 70.85 308.68 44.65 5.56E-04 20 2.62E-08 -3.35E-08 6.78E-08 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 60 70.9 307.6 43.3 4.69E-04 20 2.21E-08 -2.93E-08 5.57E-08 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 65 70.95 306.1 44.25 4.23E-04 20 1.89E-08 -2.66E-08 5.12E-08 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 70 71 306.69 47.68 3.50E-04 20 1.49E-08 -2.05E-08 4.48E-08 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 75 71.05 310.37 48.34 3.61E-04 20 1.65E-08 -1.99E-08 4.68E-08 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 80 71.1 308.61 43.54 4.66E-04 20 2.24E-08 -2.86E-08 5.57E-08 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 85 71.15 301.03 35.69 6.50E-04 20 2.89E-08 -4.90E-08 6.57E-08 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 90 71.2 298.54 32.78 7.53E-04 20 3.21E-08 -6.03E-08 7.07E-08 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 95 71.25 296.7 36.31 7.52E-04 20 2.89E-08 -5.87E-08 7.72E-08 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 100 71.3 296.57 39.98 6.35E-04 20 2.31E-08 -4.72E-08 7.07E-08 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 105 71.35 304.4 34.93 6.45E-04 20 3.17E-08 -4.73E-08 6.40E-08 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 110 71.4 309.93 33.05 7.81E-04 20 4.46E-08 -5.45E-08 7.39E-08 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 115 71.45 312.68 34.96 8.92E-04 20 5.26E-08 -5.83E-08 8.86E-08 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 120 71.5 306.6 35.11 9.04E-04 20 4.68E-08 -6.44E-08 9.01E-08 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 125 71.55 304.23 36.58 8.68E-04 20 4.16E-08 -6.25E-08 8.96E-08 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 130 71.6 306.28 42.13 7.72E-04 20 3.59E-08 -5.00E-08 8.98E-08 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 135 71.65 305.29 39.44 8.08E-04 20 3.82E-08 -5.52E-08 8.90E-08 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 140 71.7 301.63 32.89 1.06E-03 20 4.93E-08 -8.19E-08 9.95E-08 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 145 71.75 301.44 32.5 9.74E-04 20 4.55E-08 -7.60E-08 9.08E-08 03/12/97 Yes Yes 2069 172 1061 C 8 H 6 150 71.8 301.4 47.82 4.44E-04 20 1.65E-08 -2.76E-08 5.70E-08 03/12/97 Yes Yes 2069 172 1061 C 8 H 7 0 71.8 318.67 48.02 3.35E-04 20 1.78E-08 -1.60E-08 4.31E-08 03/12/97 Yes Yes 2072 172 1061 C 8 H 7 5 71.85 308.83 35.09 1.03E-03 20 5.59E-08 -7.10E-08 1.02E-07 03/12/97 Yes Yes 2072 172 1061 C 8 H 7 10 71.9 309.69 35.84 1.18E-03 20 6.49E-08 -8.00E-08 1.20E-07 03/12/97 Yes Yes 2072 172 1061 C 8 H 7 15 71.95 314.94 39.38 1.09E-03 20 6.29E-08 -6.45E-08 1.20E-07 03/12/97 Yes Yes 2072 172 1061 C 8 H 7 20 72 314.62 37.02 1.28E-03 20 7.60E-08 -7.87E-08 1.33E-07 03/12/97 Yes Yes 2072 172 1061 C 8 H 7 25 72.05 316.05 37.24 1.48E-03 20 8.98E-08 -8.86E-08 1.55E-07 03/12/97 Yes Yes 2072 172 1061 C 8 H 7 30 72.1 313.61 39.17 1.40E-03 20 7.92E-08 -8.50E-08 1.53E-07 03/12/97 Yes Yes 2072 172 1061 C 8 H 7 35 72.15 311.46 38.55 1.30E-03 20 7.11E-08 -8.23E-08 1.40E-07 03/12/97 Yes Yes 2072 172 1061 C 8 H 7 40 72.2 312.79 37.25 1.30E-03 20 7.47E-08 -8.25E-08 1.37E-07 03/12/97 Yes Yes 2072 172 1061 C 8 H 7 45 72.25 307.92 36.66 1.46E-03 20 7.64E-08 -1.00E-07 1.51E-07 03/12/97 Yes Yes 2072 172 1061 C 8 H 7 50 72.3 303.15 31.99 1.74E-03 20 8.57E-08 -1.34E-07 1.60E-07 03/12/97 Yes Yes 2072 172 1061 C 8 H 7 55 72.35 299.51 37.2 1.45E-03 20 6.05E-08 -1.09E-07 1.52E-07 03/12/97 Yes Yes 2072 172 1061 C 8 H 7 60 72.4 308.83 46.78 1.36E-03 20 6.18E-08 -7.85E-08 1.71E-07 03/12/97 Yes Yes 2072 172 1061 C 8 H 7 65 72.45 309.98 42.66 2.36E-03 20 1.18E-07 -1.44E-07 2.78E-07 03/12/97 Yes Yes 2072 172 1061 C 8 H 7 70 72.5 305.57 39.05 3.34E-03 20 1.60E-07 -2.29E-07 3.65E-07 03/12/97 Yes Yes 2072 172 1061 C 8 H 7 75 72.55 308.33 35.39 3.74E-03 20 2.01E-07 -2.60E-07 3.76E-07 03/12/97 Yes Yes 2072 172 1061 C 8 H 7 80 72.6 305.04 31.18 4.40E-03 20 2.29E-07 -3.34E-07 3.95E-07 03/12/97 Yes Yes 2072 172 1061 C 8 H 7 85 72.65 295.38 32 3.40E-03 20 1.31E-07 -2.82E-07 3.12E-07 03/12/97 Yes Yes 2072 172 1061 C 9 H 1 0 72.3 21.15 34.74 9.65E-04 20 7.84E-08 3.10E-08 9.53E-08 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 5 72.35 24.32 32.48 3.14E-03 20 2.56E-07 1.18E-07 2.92E-07 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 10 72.4 22.06 39.62 3.45E-03 20 2.62E-07 1.08E-07 3.82E-07 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 15 72.45 24.75 41.78 2.98E-03 20 2.14E-07 1.01E-07 3.44E-07 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 20 72.5 22.21 52.5 1.64E-03 20 9.82E-08 4.10E-08 2.26E-07 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 25 72.55 9.97 26.76 1.41E-03 20 1.31E-07 2.36E-08 1.10E-07 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 30 72.6 13.15 36.21 1.35E-03 20 1.13E-07 2.70E-08 1.39E-07 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 35 72.65 15.66 42.86 1.07E-03 20 8.01E-08 2.30E-08 1.26E-07 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 40 72.7 20.95 38.84 1.22E-03 20 9.41E-08 3.68E-08 1.33E-07 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 45 72.75 28.52 41.65 1.09E-03 20 7.58E-08 4.21E-08 1.25E-07 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 50 72.8 26.55 41.75 1.03E-03 20 7.26E-08 3.71E-08 1.18E-07 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 55 72.85 24.79 42.17 9.88E-04 20 7.05E-08 3.33E-08 1.15E-07 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 60 72.9 23.98 37.94 9.01E-04 20 6.88E-08 3.13E-08 9.60E-08 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 65 72.95 21.62 34.24 9.53E-04 20 7.77E-08 3.15E-08 9.30E-08 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 70 73 19.42 37.93 7.60E-04 20 6.00E-08 2.16E-08 8.10E-08 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 75 73.05 21.07 34.83 7.55E-04 20 6.13E-08 2.42E-08 7.47E-08 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 80 73.1 24.21 39.23 6.18E-04 20 4.63E-08 2.13E-08 6.78E-08 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 85 73.15 19.91 32.88 8.02E-04 20 6.72E-08 2.49E-08 7.55E-08 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 90 73.2 25.9 31.23 1.01E-03 20 8.22E-08 4.08E-08 9.05E-08 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 95 73.25 26.77 33.27 1.05E-03 20 8.29E-08 4.28E-08 9.96E-08 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 100 73.3 22.95 40.44 8.74E-04 20 6.49E-08 2.81E-08 9.82E-08 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 105 73.35 24.88 36.61 8.28E-04 20 6.39E-08 3.03E-08 8.56E-08 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 110 73.4 33.58 37.27 7.67E-04 20 5.40E-08 3.66E-08 8.06E-08 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 115 73.45 36.72 34.63 7.50E-04 20 5.24E-08 4.00E-08 7.38E-08 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 120 73.5 23.89 36.1 7.32E-04 20 5.74E-08 2.60E-08 7.48E-08 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 125 73.55 325.32 32.48 1.29E-03 20 9.50E-08 -6.72E-08 1.20E-07 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 130 73.6 228.64 83.83 6.41E-04 20 -4.83E-09 -5.61E-09 1.11E-07 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 135 73.65 49.96 51.46 3.58E-04 20 1.52E-08 1.85E-08 4.86E-08 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 140 73.7 44.31 32.5 5.85E-04 20 3.74E-08 3.74E-08 5.45E-08 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 145 73.75 38.56 38.86 5.84E-04 20 3.77E-08 3.07E-08 6.35E-08 03/12/97 Yes Yes 2075 172 1061 C 9 H 1 150 73.8 41.66 49.56 2.54E-04 20 1.31E-08 1.19E-08 3.35E-08 03/12/97 Yes Yes 2075 172 1061 C 9 H 2 0 73.8 31.79 29.99 2.74E-04 20 2.14E-08 1.35E-08 2.37E-08 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 5 73.85 37.53 30.47 5.70E-04 20 4.13E-08 3.25E-08 5.01E-08 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 10 73.9 28.95 38.65 5.08E-04 20 3.68E-08 2.08E-08 5.50E-08 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 15 73.95 27.49 51.51 3.64E-04 20 2.13E-08 1.13E-08 4.94E-08 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 20 74 36.08 57.37 2.35E-04 20 1.09E-08 8.10E-09 3.43E-08 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 25 74.05 50.61 51.42 2.38E-04 20 9.98E-09 1.24E-08 3.22E-08 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 30 74.1 107.27 43.22 1.70E-04 20 -3.91E-09 1.29E-08 2.02E-08 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 35 74.15 214.7 42.26 3.09E-05 20 -2.00E-09 -1.41E-09 3.61E-09 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 40 74.2 37.97 41.87 5.90E-05 20 3.68E-09 2.93E-09 6.83E-09 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 45 74.25 42.45 52.35 1.21E-04 20 5.77E-09 5.40E-09 1.66E-08 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 50 74.3 29.78 46.43 1.96E-04 20 1.24E-08 7.26E-09 2.46E-08 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 55 74.35 34.48 44.46 3.29E-04 20 2.05E-08 1.44E-08 3.99E-08 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 60 74.4 28.07 46.71 4.25E-04 20 2.73E-08 1.49E-08 5.37E-08 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 65 74.45 33.58 38.97 6.32E-04 20 4.34E-08 2.95E-08 6.89E-08 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 70 74.5 32.97 34.12 8.79E-04 20 6.47E-08 4.29E-08 8.55E-08 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 75 74.55 34.65 36.19 8.66E-04 20 6.10E-08 4.31E-08 8.87E-08 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 80 74.6 34.49 44.71 6.17E-04 20 3.83E-08 2.69E-08 7.52E-08 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 85 74.65 33.25 40.35 5.72E-04 20 3.87E-08 2.59E-08 6.42E-08 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 90 74.7 32.17 35.35 5.22E-04 20 3.83E-08 2.46E-08 5.24E-08 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 95 74.75 30.71 44.76 3.44E-04 20 2.23E-08 1.35E-08 4.20E-08 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 100 74.8 24.31 41.7 2.93E-04 20 2.12E-08 9.78E-09 3.38E-08 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 105 74.85 24.26 39.34 3.05E-04 20 2.28E-08 1.05E-08 3.35E-08 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 110 74.9 23.8 38.86 3.12E-04 20 2.36E-08 1.06E-08 3.39E-08 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 115 74.95 24.93 49.33 2.09E-04 20 1.31E-08 6.22E-09 2.75E-08 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 120 75 20.67 66.26 1.13E-04 20 4.50E-09 1.73E-09 1.79E-08 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 125 75.05 24.45 62.95 9.22E-05 20 4.05E-09 1.88E-09 1.42E-08 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 130 75.1 44.33 43.89 1.07E-04 20 5.86E-09 5.85E-09 1.29E-08 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 135 75.15 36.94 62.38 8.11E-05 20 3.19E-09 2.45E-09 1.25E-08 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 140 75.2 28.44 50.44 1.14E-04 20 6.78E-09 3.76E-09 1.53E-08 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 145 75.25 30.09 42.09 2.15E-04 20 1.46E-08 8.66E-09 2.49E-08 03/12/97 Yes Yes 2077 172 1061 C 9 H 2 150 75.3 197.31 40.84 3.08E-04 20 -2.36E-08 -7.52E-09 3.49E-08 03/12/97 Yes Yes 2077 172 1061 C 9 H 3 0 75.3 283.78 41.32 5.84E-05 20 1.11E-09 -4.62E-09 6.69E-09 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 5 75.35 47.39 44.73 1.47E-04 20 7.50E-09 8.33E-09 1.79E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 10 75.4 45.91 40.27 3.62E-04 20 2.04E-08 2.15E-08 4.06E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 15 75.45 299.03 82.31 2.44E-04 20 1.68E-09 -3.09E-09 4.19E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 20 75.5 4.22 67.14 1.90E-04 20 7.79E-09 5.88E-10 3.03E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 25 75.55 30.05 56.76 1.88E-04 20 9.45E-09 5.59E-09 2.72E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 30 75.6 28.29 50.41 1.79E-04 20 1.06E-08 5.85E-09 2.39E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 35 75.65 25.49 44.82 1.83E-04 20 1.24E-08 6.06E-09 2.24E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 40 75.7 36.46 41.62 1.86E-04 20 1.18E-08 8.94E-09 2.14E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 45 75.75 42.41 55.93 1.54E-04 20 6.76E-09 6.31E-09 2.21E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 50 75.8 41.15 64.64 1.35E-04 20 4.61E-09 4.12E-09 2.11E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 55 75.85 43.85 46.79 1.30E-04 20 6.79E-09 6.67E-09 1.64E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 60 75.9 43.59 45.09 1.13E-04 20 6.15E-09 5.99E-09 1.39E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 65 75.95 12.56 30.98 1.23E-04 20 1.09E-08 2.49E-09 1.10E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 70 76 23.24 41.86 1.76E-04 20 1.28E-08 5.60E-09 2.03E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 75 76.05 24.85 50.99 1.70E-04 20 1.03E-08 4.87E-09 2.29E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 80 76.1 8.98 51.7 1.76E-04 20 1.14E-08 1.85E-09 2.40E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 85 76.15 8.46 48.05 1.77E-04 20 1.24E-08 1.88E-09 2.28E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 90 76.2 20.66 37.87 1.84E-04 20 1.44E-08 5.55E-09 1.95E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 95 76.25 31.24 32.72 2.29E-04 20 1.75E-08 1.08E-08 2.15E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 100 76.3 35.46 35.92 2.63E-04 20 1.84E-08 1.34E-08 2.68E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 105 76.35 30.11 43.83 2.45E-04 20 1.62E-08 9.62E-09 2.94E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 110 76.4 29.79 46.94 2.32E-04 20 1.46E-08 8.55E-09 2.94E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 115 76.45 28.27 46.8 2.21E-04 20 1.41E-08 7.78E-09 2.80E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 120 76.5 21.18 46.08 2.32E-04 20 1.59E-08 6.30E-09 2.89E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 125 76.55 28.22 48.06 2.34E-04 20 1.46E-08 8.01E-09 3.01E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 130 76.6 33.56 48.44 2.15E-04 20 1.26E-08 8.57E-09 2.80E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 135 76.65 44.58 37.15 2.68E-04 20 1.61E-08 1.63E-08 2.80E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 140 76.7 44.91 31.03 3.34E-04 20 2.15E-08 2.19E-08 2.99E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 145 76.75 38.12 28.59 3.80E-04 20 2.79E-08 2.24E-08 3.15E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 3 150 76.8 36.1 36.04 2.18E-04 20 1.51E-08 1.12E-08 2.22E-08 03/12/97 Yes Yes 2079 172 1061 C 9 H 4 0 76.8 55.41 36.96 1.29E-04 20 6.21E-09 9.20E-09 1.34E-08 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 5 76.85 47.6 28.6 3.73E-04 20 2.34E-08 2.62E-08 3.09E-08 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 10 76.9 32.16 27.37 3.76E-04 20 3.00E-08 1.93E-08 3.00E-08 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 15 76.95 21.25 32.21 3.20E-04 20 2.68E-08 1.06E-08 2.96E-08 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 20 77 27.35 39.24 3.11E-04 20 2.27E-08 1.20E-08 3.41E-08 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 25 77.05 38.26 38.28 3.65E-04 20 2.39E-08 1.93E-08 3.92E-08 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 30 77.1 36.01 43.4 3.59E-04 20 2.24E-08 1.66E-08 4.28E-08 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 35 77.15 36.46 42.04 3.44E-04 20 2.18E-08 1.65E-08 4.00E-08 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 40 77.2 33.19 40.48 3.54E-04 20 2.39E-08 1.60E-08 3.98E-08 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 45 77.25 32 43.48 4.33E-04 20 2.82E-08 1.80E-08 5.16E-08 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 50 77.3 24.47 54.23 3.98E-04 20 2.25E-08 1.05E-08 5.60E-08 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 55 77.35 14.54 60.79 3.44E-04 20 1.72E-08 4.57E-09 5.21E-08 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 60 77.4 9.08 55.39 3.63E-04 20 2.16E-08 3.53E-09 5.18E-08 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 65 77.45 1.58 57.75 3.61E-04 20 2.04E-08 5.77E-10 5.30E-08 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 70 77.5 340.25 49.85 4.84E-04 20 3.11E-08 -1.14E-08 6.41E-08 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 75 77.55 4.39 61.48 4.92E-04 20 2.48E-08 1.95E-09 7.50E-08 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 80 77.6 29.78 62.08 3.38E-04 20 1.46E-08 8.53E-09 5.18E-08 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 85 77.65 15.45 43.91 3.20E-04 20 2.36E-08 6.67E-09 3.85E-08 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 90 77.7 13.32 30.89 3.56E-04 20 3.15E-08 7.63E-09 3.17E-08 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 95 77.75 18.39 32.27 3.33E-04 20 2.83E-08 9.63E-09 3.08E-08 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 100 77.8 38 71.11 1.35E-04 20 3.66E-09 2.92E-09 2.22E-08 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 105 77.85 23.02 39.45 1.64E-04 20 1.24E-08 5.37E-09 1.81E-08 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 110 77.9 35.29 27.08 3.91E-04 20 3.01E-08 2.18E-08 3.09E-08 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 115 77.95 39.16 33.07 3.72E-04 20 2.56E-08 2.13E-08 3.52E-08 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 120 78 21.25 33.47 3.74E-04 20 3.08E-08 1.23E-08 3.57E-08 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 125 78.05 17 35.54 4.77E-04 20 3.93E-08 1.23E-08 4.80E-08 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 130 78.1 17.63 46.88 4.64E-04 20 3.20E-08 1.04E-08 5.87E-08 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 135 78.15 21.91 54 4.86E-04 20 2.81E-08 1.16E-08 6.81E-08 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 140 78.2 23.29 41.88 8.89E-04 20 6.45E-08 2.84E-08 1.03E-07 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 145 78.25 25.18 51.05 9.48E-04 20 5.72E-08 2.75E-08 1.28E-07 03/12/97 Yes Yes 2081 172 1061 C 9 H 4 150 78.3 62.48 78.32 3.62E-04 20 3.59E-09 7.05E-09 6.14E-08 03/12/97 Yes Yes 2081 172 1061 C 9 H 5 0 78.3 14.58 53.95 2.13E-04 20 1.29E-08 3.43E-09 2.99E-08 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 5 78.35 28.03 46.27 5.52E-04 20 3.57E-08 1.94E-08 6.91E-08 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 10 78.4 30.6 49.14 6.67E-04 20 3.98E-08 2.41E-08 8.74E-08 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 15 78.45 29.86 47.36 7.22E-04 20 4.50E-08 2.64E-08 9.21E-08 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 20 78.5 22.89 45.6 7.98E-04 20 5.46E-08 2.36E-08 9.89E-08 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 25 78.55 24.93 47.49 8.28E-04 20 5.38E-08 2.56E-08 1.06E-07 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 30 78.6 26.79 47.17 8.39E-04 20 5.40E-08 2.79E-08 1.07E-07 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 35 78.65 23.98 48.98 8.32E-04 20 5.29E-08 2.41E-08 1.09E-07 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 40 78.7 15.44 59.36 7.25E-04 20 3.78E-08 1.07E-08 1.08E-07 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 45 78.75 357.76 68.04 5.01E-04 20 1.99E-08 -7.93E-10 8.06E-08 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 50 78.8 356.7 65.07 3.62E-04 20 1.62E-08 -9.54E-10 5.69E-08 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 55 78.85 22.2 44.66 5.11E-04 20 3.57E-08 1.49E-08 6.23E-08 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 60 78.9 30.77 53.36 5.03E-04 20 2.73E-08 1.66E-08 6.99E-08 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 65 78.95 23.72 62.9 3.50E-04 20 1.55E-08 6.95E-09 5.40E-08 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 70 79 21.92 54.17 3.02E-04 20 1.74E-08 7.16E-09 4.25E-08 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 75 79.05 20.8 52.03 2.00E-04 20 1.22E-08 4.75E-09 2.74E-08 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 80 79.1 20.54 41.57 1.77E-04 20 1.32E-08 5.04E-09 2.04E-08 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 85 79.15 25.8 39.85 2.08E-04 20 1.53E-08 7.55E-09 2.31E-08 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 90 79.2 37.3 34.73 3.46E-04 20 2.40E-08 1.87E-08 3.41E-08 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 95 79.25 39.88 37.65 3.79E-04 20 2.44E-08 2.09E-08 4.02E-08 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 100 79.3 37.85 40.74 4.10E-04 20 2.60E-08 2.07E-08 4.64E-08 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 105 79.35 30.75 45.91 3.63E-04 20 2.30E-08 1.40E-08 4.52E-08 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 110 79.4 27.52 44.3 3.08E-04 20 2.07E-08 1.10E-08 3.72E-08 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 115 79.45 38.48 39.11 2.97E-04 20 1.91E-08 1.55E-08 3.25E-08 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 120 79.5 39.94 33.72 3.14E-04 20 2.12E-08 1.82E-08 3.02E-08 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 125 79.55 39.6 30.77 3.27E-04 20 2.29E-08 1.94E-08 2.90E-08 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 130 79.6 33.49 31.2 3.12E-04 20 2.36E-08 1.60E-08 2.80E-08 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 135 79.65 25.34 32.94 3.34E-04 20 2.68E-08 1.30E-08 3.15E-08 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 140 79.7 26.03 33.97 3.57E-04 20 2.82E-08 1.41E-08 3.46E-08 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 145 79.75 32.85 28.9 3.91E-04 20 3.05E-08 2.01E-08 3.28E-08 03/12/97 Yes Yes 2083 172 1061 C 9 H 5 150 79.8 37.96 34.14 2.21E-04 20 1.53E-08 1.22E-08 2.15E-08 03/12/97 Yes Yes 2083 172 1061 C 9 H 6 0 79.8 42.13 21.94 1.30E-04 20 9.47E-09 8.76E-09 8.41E-09 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 5 79.85 36.99 20.62 2.64E-04 20 2.09E-08 1.61E-08 1.61E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 10 79.9 33.26 29.6 1.91E-04 20 1.48E-08 9.90E-09 1.64E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 15 79.95 28.78 41.3 1.77E-04 20 1.24E-08 6.95E-09 2.03E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 20 80 33.85 44.87 2.14E-04 20 1.33E-08 9.16E-09 2.62E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 25 80.05 36.92 41.9 2.65E-04 20 1.67E-08 1.28E-08 3.07E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 30 80.1 37.58 39.39 3.36E-04 20 2.18E-08 1.72E-08 3.69E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 35 80.15 31.38 45.43 3.03E-04 20 1.92E-08 1.20E-08 3.74E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 40 80.2 14.74 47.96 2.87E-04 20 1.97E-08 5.31E-09 3.70E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 45 80.25 23.44 54.43 2.77E-04 20 1.57E-08 6.96E-09 3.91E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 50 80.3 25.42 55.29 2.70E-04 20 1.47E-08 7.15E-09 3.85E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 55 80.35 32.6 51.33 2.31E-04 20 1.29E-08 8.43E-09 3.12E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 60 80.4 38.43 48.02 1.98E-04 20 1.10E-08 8.93E-09 2.55E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 65 80.45 42.47 48.01 1.83E-04 20 9.57E-09 8.96E-09 2.36E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 70 80.5 44.61 46.69 1.96E-04 20 1.02E-08 1.03E-08 2.48E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 75 80.55 40.58 46.32 2.15E-04 20 1.20E-08 1.05E-08 2.70E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 80 80.6 37.5 48.02 2.37E-04 20 1.33E-08 1.05E-08 3.05E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 85 80.65 33.11 49.49 2.42E-04 20 1.40E-08 9.32E-09 3.19E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 90 80.7 25.2 55.95 2.14E-04 20 1.15E-08 5.53E-09 3.07E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 95 80.75 17.7 61.06 2.05E-04 20 1.00E-08 3.27E-09 3.11E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 100 80.8 30.59 56.91 1.83E-04 20 9.14E-09 5.52E-09 2.66E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 105 80.85 39.81 49.67 1.89E-04 20 9.98E-09 8.50E-09 2.50E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 110 80.9 29.06 45.21 2.18E-04 20 1.43E-08 8.10E-09 2.69E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 115 80.95 27.12 48.4 2.22E-04 20 1.39E-08 7.30E-09 2.88E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 120 81 36.65 57.31 1.68E-04 20 7.74E-09 5.89E-09 2.46E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 125 81.05 41.06 54.14 1.58E-04 20 7.42E-09 6.61E-09 2.23E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 130 81.1 35.56 50.73 1.81E-04 20 9.90E-09 7.23E-09 2.43E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 135 81.15 32.46 46.24 2.10E-04 20 1.30E-08 8.45E-09 2.63E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 140 81.2 33.51 38.38 2.72E-04 20 1.88E-08 1.27E-08 2.92E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 145 81.25 32.34 39.54 2.70E-04 20 1.86E-08 1.21E-08 2.98E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 6 150 81.3 54.02 49.99 1.48E-04 20 5.92E-09 8.34E-09 1.96E-08 03/12/97 Yes Yes 2085 172 1061 C 9 H 7 0 81.3 355.68 60.12 1.58E-04 20 8.32E-09 -6.43E-10 2.37E-08 03/12/97 Yes Yes 2087 172 1061 C 9 H 7 5 81.35 39.06 44.34 2.39E-04 20 1.41E-08 1.17E-08 2.90E-08 03/12/97 Yes Yes 2087 172 1061 C 9 H 7 10 81.4 19.03 38.58 2.48E-04 20 1.95E-08 6.86E-09 2.68E-08 03/12/97 Yes Yes 2087 172 1061 C 9 H 7 15 81.45 12.24 39.03 2.12E-04 20 1.70E-08 3.78E-09 2.31E-08 03/12/97 Yes Yes 2087 172 1061 C 9 H 7 20 81.5 15.65 34.46 2.06E-04 20 1.74E-08 4.98E-09 2.02E-08 03/12/97 Yes Yes 2087 172 1061 C 9 H 7 25 81.55 13.42 40.94 1.96E-04 20 1.53E-08 3.73E-09 2.23E-08 03/12/97 Yes Yes 2087 172 1061 C 9 H 7 30 81.6 23.53 46.36 2.29E-04 20 1.54E-08 6.84E-09 2.87E-08 03/12/97 Yes Yes 2087 172 1061 C 9 H 7 35 81.65 31.1 32.12 3.25E-04 20 2.50E-08 1.54E-08 3.00E-08 03/12/97 Yes Yes 2087 172 1061 C 9 H 7 40 81.7 35.18 30.8 3.61E-04 20 2.69E-08 1.94E-08 3.20E-08 03/12/97 Yes Yes 2087 172 1061 C 9 H 7 45 81.75 41.02 38.79 2.61E-04 20 1.63E-08 1.45E-08 2.84E-08 03/12/97 Yes Yes 2087 172 1061 C 9 H 7 50 81.8 44.76 47.43 2.06E-04 20 1.05E-08 1.06E-08 2.63E-08 03/12/97 Yes Yes 2087 172 1061 C 9 H 7 55 81.85 54.94 50.17 2.31E-04 20 9.00E-09 1.31E-08 3.07E-08 03/12/97 Yes Yes 2087 172 1061 C 9 H 7 60 81.9 32.08 64.44 2.12E-04 20 8.21E-09 5.26E-09 3.31E-08 03/12/97 Yes Yes 2087 172 1061 C 9 H 7 65 81.95 42.91 53.45 2.19E-04 20 1.01E-08 9.62E-09 3.05E-08 03/12/97 Yes Yes 2087 172 1061 C 9 H 7 70 82 23.46 57.41 2.58E-04 20 1.35E-08 6.00E-09 3.77E-08 03/12/97 Yes Yes 2087 172 1061 C 9 H 7 75 82.05 42.5 65.11 2.05E-04 20 6.75E-09 6.32E-09 3.22E-08 03/12/97 Yes Yes 2087 172 1061 C 9 H 7 80 82.1 37.75 47.83 1.66E-04 20 9.35E-09 7.41E-09 2.13E-08 03/12/97 Yes Yes 2087 172 1061 C 9 H 7 85 82.15 21.49 32.15 1.83E-04 20 1.53E-08 6.15E-09 1.69E-08 03/12/97 Yes Yes 2087 172 1061 C 10 H 1 0 81.8 354.59 46.36 8.83E-05 20 6.43E-09 -6.24E-10 1.11E-08 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 5 81.85 313.5 55.23 1.98E-04 20 8.26E-09 -8.90E-09 2.82E-08 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 10 81.9 293.88 49.89 3.59E-04 20 9.94E-09 -2.30E-08 4.76E-08 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 15 81.95 291.84 44.7 4.51E-04 20 1.26E-08 -3.22E-08 5.50E-08 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 20 82 291.67 39.42 4.89E-04 20 1.48E-08 -3.80E-08 5.38E-08 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 25 82.05 279.97 43.89 4.27E-04 20 5.65E-09 -3.29E-08 5.13E-08 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 30 82.1 283.68 58.52 3.70E-04 20 4.85E-09 -2.04E-08 5.47E-08 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 35 82.15 296.73 54.69 4.88E-04 20 1.35E-08 -2.73E-08 6.90E-08 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 40 82.2 290.18 47.29 6.54E-04 20 1.62E-08 -4.52E-08 8.34E-08 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 45 82.25 284.9 47.01 6.56E-04 20 1.22E-08 -4.69E-08 8.32E-08 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 50 82.3 279.66 44.35 5.50E-04 20 7.00E-09 -4.20E-08 6.66E-08 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 55 82.35 282.19 40.91 4.85E-04 20 8.21E-09 -3.89E-08 5.51E-08 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 60 82.4 285.19 46.71 3.64E-04 20 6.94E-09 -2.61E-08 4.59E-08 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 65 82.45 285.45 41.08 3.60E-04 20 7.68E-09 -2.84E-08 4.11E-08 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 70 82.5 291.58 37.56 4.87E-04 20 1.51E-08 -3.90E-08 5.15E-08 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 75 82.55 295.49 37.58 5.08E-04 20 1.84E-08 -3.94E-08 5.37E-08 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 80 82.6 276.29 34.83 4.93E-04 20 4.71E-09 -4.37E-08 4.89E-08 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 85 82.65 282.09 25.49 6.07E-04 20 1.22E-08 -5.81E-08 4.53E-08 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 90 82.7 286.09 25.69 7.30E-04 20 1.93E-08 -6.86E-08 5.49E-08 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 95 82.75 285.01 30.93 7.73E-04 20 1.82E-08 -6.95E-08 6.89E-08 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 100 82.8 287.04 41.77 6.87E-04 20 1.59E-08 -5.32E-08 7.94E-08 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 105 82.85 288.49 43.64 7.79E-04 20 1.90E-08 -5.80E-08 9.32E-08 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 110 82.9 278.3 42.73 8.89E-04 20 9.99E-09 -7.01E-08 1.05E-07 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 115 82.95 274.88 49.04 8.45E-04 20 4.99E-09 -5.98E-08 1.11E-07 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 120 83 281 47.74 9.49E-04 20 1.29E-08 -6.80E-08 1.22E-07 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 125 83.05 285 34.21 1.69E-03 20 3.84E-08 -1.47E-07 1.65E-07 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 130 83.1 286.8 27.6 2.42E-03 20 6.57E-08 -2.23E-07 1.94E-07 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 135 83.15 294.96 27.89 2.64E-03 20 1.05E-07 -2.30E-07 2.14E-07 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 140 83.2 303.04 23.93 3.34E-03 20 1.76E-07 -2.77E-07 2.35E-07 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 145 83.25 302.69 24.7 3.33E-03 20 1.73E-07 -2.76E-07 2.41E-07 03/12/97 Yes Yes 2089 172 1061 C 10 H 1 150 83.3 295.37 41.1 1.06E-03 20 3.63E-08 -7.83E-08 1.21E-07 03/12/97 Yes Yes 2089 172 1061 C 10 H 2 0 83.3 319.65 33.44 1.34E-03 20 9.05E-08 -7.86E-08 1.28E-07 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 5 83.35 306.96 26.77 3.51E-03 20 2.00E-07 -2.71E-07 2.74E-07 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 10 83.4 302.3 28.77 4.55E-03 20 2.26E-07 -3.65E-07 3.79E-07 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 15 83.45 299 33.96 4.91E-03 20 2.10E-07 -3.87E-07 4.76E-07 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 20 83.5 297.39 36.83 4.93E-03 20 1.93E-07 -3.80E-07 5.13E-07 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 25 83.55 296.66 38.7 5.01E-03 20 1.86E-07 -3.79E-07 5.43E-07 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 30 83.6 294.62 40.78 5.55E-03 20 1.86E-07 -4.15E-07 6.29E-07 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 35 83.65 288.44 40.21 6.13E-03 20 1.57E-07 -4.82E-07 6.86E-07 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 40 83.7 283.18 35.28 6.98E-03 20 1.38E-07 -6.02E-07 6.99E-07 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 45 83.75 281.95 33.79 7.03E-03 20 1.28E-07 -6.20E-07 6.78E-07 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 50 83.8 282.87 37.86 6.54E-03 20 1.22E-07 -5.46E-07 6.96E-07 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 55 83.85 293.35 44.32 4.79E-03 20 1.44E-07 -3.41E-07 5.80E-07 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 60 83.9 301.93 36.11 7.63E-03 20 3.46E-07 -5.67E-07 7.79E-07 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 65 83.95 296.2 36.07 1.11E-02 20 4.19E-07 -8.71E-07 1.13E-06 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 70 84 293.76 38.1 1.20E-02 20 4.02E-07 -9.35E-07 1.28E-06 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 75 84.05 291.34 41.17 9.40E-03 20 2.73E-07 -7.15E-07 1.07E-06 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 80 84.1 293.56 45.19 6.48E-03 20 1.94E-07 -4.54E-07 7.97E-07 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 85 84.15 289.92 33.75 7.55E-03 20 2.27E-07 -6.40E-07 7.27E-07 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 90 84.2 287.17 26.56 9.55E-03 20 2.68E-07 -8.85E-07 7.41E-07 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 95 84.25 289.1 22.48 9.96E-03 20 3.19E-07 -9.44E-07 6.61E-07 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 100 84.3 290.54 18.1 1.31E-02 20 4.63E-07 -1.26E-06 7.05E-07 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 105 84.35 289.36 19.4 1.64E-02 20 5.43E-07 -1.58E-06 9.44E-07 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 110 84.4 289.65 31.58 1.22E-02 20 3.71E-07 -1.06E-06 1.11E-06 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 115 84.45 298.6 44.47 1.18E-02 20 4.28E-07 -8.02E-07 1.43E-06 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 120 84.5 293.37 46.3 1.51E-02 20 4.38E-07 -1.04E-06 1.89E-06 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 125 84.55 278.47 55.39 1.34E-02 20 1.19E-07 -8.14E-07 1.91E-06 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 130 84.6 285.5 54.26 1.04E-02 20 1.73E-07 -6.36E-07 1.47E-06 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 135 84.65 298.07 46.2 9.05E-03 20 3.13E-07 -5.99E-07 1.13E-06 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 140 84.7 293.19 37.22 7.36E-03 20 2.45E-07 -5.84E-07 7.72E-07 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 145 84.75 284.75 21.76 9.93E-03 20 2.49E-07 -9.67E-07 6.38E-07 03/12/97 Yes Yes 2091 172 1061 C 10 H 2 150 84.8 277.32 26 5.71E-03 20 6.93E-08 -5.52E-07 4.34E-07 03/12/97 Yes Yes 2091 172 1061 C 10 H 3 0 84.8 306.63 49.95 2.55E-03 20 1.04E-07 -1.43E-07 3.39E-07 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 5 84.85 290.61 31.03 1.11E-02 20 3.56E-07 -9.68E-07 9.95E-07 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 10 84.9 291.54 31.06 1.63E-02 20 5.44E-07 -1.41E-06 1.46E-06 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 15 84.95 297.94 30.54 2.09E-02 20 8.94E-07 -1.72E-06 1.84E-06 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 20 85 304.77 33.36 2.03E-02 20 1.03E-06 -1.51E-06 1.94E-06 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 25 85.05 298.87 40.33 1.67E-02 20 6.52E-07 -1.21E-06 1.87E-06 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 30 85.1 278.28 41.11 1.32E-02 20 1.52E-07 -1.07E-06 1.50E-06 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 35 85.15 262.92 43.45 6.75E-03 20 -6.41E-08 -5.28E-07 8.05E-07 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 40 85.2 266.46 61.48 2.18E-03 20 -6.81E-09 -1.12E-07 3.31E-07 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 45 85.25 296.03 46.42 1.53E-03 20 4.89E-08 -1.02E-07 1.92E-07 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 50 85.3 296.02 42.32 1.60E-03 20 5.51E-08 -1.15E-07 1.87E-07 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 55 85.35 286.8 34.71 1.94E-03 20 4.89E-08 -1.66E-07 1.91E-07 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 60 85.4 277.31 28.03 2.15E-03 20 2.56E-08 -2.04E-07 1.75E-07 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 65 85.45 284.6 24.61 1.75E-03 20 4.25E-08 -1.67E-07 1.26E-07 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 70 85.5 291.45 19.14 2.48E-03 20 9.08E-08 -2.36E-07 1.41E-07 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 75 85.55 291.74 30.7 1.69E-03 20 5.69E-08 -1.46E-07 1.49E-07 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 80 85.6 286.1 43.36 9.79E-04 20 2.09E-08 -7.42E-08 1.17E-07 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 85 85.65 284.39 42.35 6.22E-04 20 1.21E-08 -4.83E-08 7.26E-08 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 90 85.7 299.41 41.57 4.78E-04 20 1.86E-08 -3.38E-08 5.50E-08 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 95 85.75 298.74 41.77 4.59E-04 20 1.75E-08 -3.25E-08 5.30E-08 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 100 85.8 295.85 38.31 5.31E-04 20 1.93E-08 -4.07E-08 5.71E-08 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 105 85.85 287.2 34.66 6.97E-04 20 1.80E-08 -5.94E-08 6.87E-08 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 110 85.9 280.76 45.02 7.10E-04 20 9.93E-09 -5.34E-08 8.70E-08 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 115 85.95 298.5 32.65 1.96E-03 20 8.33E-08 -1.57E-07 1.83E-07 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 120 86 297 41.84 2.87E-03 20 1.03E-07 -2.07E-07 3.32E-07 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 125 86.05 311.01 35.41 5.09E-03 20 2.89E-07 -3.39E-07 5.11E-07 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 130 86.1 303.17 23.42 1.33E-02 20 7.10E-07 -1.11E-06 9.19E-07 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 135 86.15 298.68 23.44 1.29E-02 20 6.01E-07 -1.12E-06 8.88E-07 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 140 86.2 294.52 30.68 6.07E-03 20 2.30E-07 -5.15E-07 5.37E-07 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 145 86.25 138.42 64.82 1.09E-03 20 -3.67E-08 3.33E-08 1.71E-07 03/12/97 Yes Yes 2093 172 1061 C 10 H 3 150 86.3 123.05 29.86 5.91E-04 20 -2.97E-08 4.66E-08 5.10E-08 03/12/97 Yes Yes 2093 172 1061 C 10 H 4 0 86.3 306.16 39.49 2.68E-04 20 1.30E-08 -1.81E-08 2.96E-08 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 5 86.35 291.56 33.89 7.31E-04 20 2.36E-08 -6.12E-08 7.06E-08 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 10 86.4 285.86 39.69 6.86E-04 20 1.53E-08 -5.51E-08 7.60E-08 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 15 86.45 292.48 48.87 5.55E-04 20 1.48E-08 -3.66E-08 7.25E-08 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 20 86.5 294.93 48.16 6.69E-04 20 1.99E-08 -4.39E-08 8.64E-08 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 25 86.55 285.45 45.6 7.60E-04 20 1.50E-08 -5.56E-08 9.41E-08 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 30 86.6 277.58 39.99 8.19E-04 20 8.78E-09 -6.74E-08 9.12E-08 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 35 86.65 278.89 34.08 9.71E-04 20 1.32E-08 -8.62E-08 9.43E-08 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 40 86.7 279.05 32.71 9.80E-04 20 1.38E-08 -8.83E-08 9.18E-08 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 45 86.75 283.5 33.75 8.40E-04 20 1.73E-08 -7.37E-08 8.09E-08 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 50 86.8 288.73 29.18 8.43E-04 20 2.51E-08 -7.56E-08 7.13E-08 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 55 86.85 292.73 31.44 7.82E-04 20 2.73E-08 -6.67E-08 7.07E-08 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 60 86.9 290.46 31.88 7.17E-04 20 2.26E-08 -6.19E-08 6.56E-08 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 65 86.95 289.91 30.92 7.20E-04 20 2.23E-08 -6.30E-08 6.41E-08 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 70 87 299.31 30.92 7.05E-04 20 3.14E-08 -5.72E-08 6.28E-08 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 75 87.05 300.89 35.25 6.50E-04 20 2.89E-08 -4.94E-08 6.51E-08 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 80 87.1 292.97 41.67 5.18E-04 20 1.60E-08 -3.86E-08 5.97E-08 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 85 87.15 290.63 40.94 5.24E-04 20 1.48E-08 -4.02E-08 5.95E-08 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 90 87.2 285.73 47.84 4.99E-04 20 9.64E-09 -3.50E-08 6.42E-08 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 95 87.25 290.56 47.13 5.36E-04 20 1.36E-08 -3.70E-08 6.81E-08 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 100 87.3 290.53 40.77 7.57E-04 20 2.13E-08 -5.83E-08 8.57E-08 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 105 87.35 296.22 38.95 9.23E-04 20 3.36E-08 -6.99E-08 1.01E-07 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 110 87.4 293.92 41.93 9.11E-04 20 2.91E-08 -6.72E-08 1.06E-07 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 115 87.45 292.57 41.67 8.04E-04 20 2.45E-08 -6.02E-08 9.27E-08 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 120 87.5 295.21 42.13 7.80E-04 20 2.61E-08 -5.68E-08 9.07E-08 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 125 87.55 290.3 41.11 8.09E-04 20 2.24E-08 -6.20E-08 9.22E-08 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 130 87.6 295.77 41.77 7.82E-04 20 2.69E-08 -5.70E-08 9.03E-08 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 135 87.65 295.69 39.68 8.28E-04 20 2.93E-08 -6.23E-08 9.17E-08 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 140 87.7 286.68 39.25 8.13E-04 20 1.92E-08 -6.54E-08 8.92E-08 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 145 87.75 282.22 34.46 7.46E-04 20 1.38E-08 -6.52E-08 7.32E-08 03/12/97 Yes Yes 2095 172 1061 C 10 H 4 150 87.8 274.84 37.25 3.96E-04 20 2.82E-09 -3.41E-08 4.15E-08 03/12/97 Yes Yes 2095 172 1061 C 10 H 5 0 87.8 289.14 36.69 2.29E-04 20 6.40E-09 -1.88E-08 2.38E-08 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 5 87.85 280.89 27.23 6.58E-04 20 1.17E-08 -6.23E-08 5.22E-08 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 10 87.9 280.38 34.03 6.59E-04 20 1.04E-08 -5.83E-08 6.40E-08 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 15 87.95 286.08 43.33 5.60E-04 20 1.20E-08 -4.25E-08 6.66E-08 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 20 88 293.68 39.5 6.09E-04 20 2.00E-08 -4.67E-08 6.72E-08 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 25 88.05 290.93 36.39 7.51E-04 20 2.29E-08 -6.13E-08 7.73E-08 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 30 88.1 286.4 42.27 6.88E-04 20 1.53E-08 -5.30E-08 8.03E-08 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 35 88.15 281.02 45.14 5.69E-04 20 8.13E-09 -4.27E-08 6.99E-08 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 40 88.2 281.86 41.22 6.20E-04 20 1.02E-08 -4.95E-08 7.09E-08 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 45 88.25 286.37 43.82 6.70E-04 20 1.45E-08 -5.03E-08 8.04E-08 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 50 88.3 291.54 42.97 7.53E-04 20 2.14E-08 -5.56E-08 8.89E-08 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 55 88.35 290.53 39.47 7.86E-04 20 2.26E-08 -6.16E-08 8.66E-08 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 60 88.4 288.49 40.65 6.78E-04 20 1.73E-08 -5.29E-08 7.66E-08 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 65 88.45 291.56 41.89 5.06E-04 20 1.47E-08 -3.80E-08 5.86E-08 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 70 88.5 298.92 40.47 5.67E-04 20 2.21E-08 -4.09E-08 6.37E-08 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 75 88.55 300.49 46.51 5.93E-04 20 2.19E-08 -3.81E-08 7.45E-08 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 80 88.6 293.3 42.21 7.42E-04 20 2.30E-08 -5.47E-08 8.64E-08 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 85 88.65 287.12 37.63 9.65E-04 20 2.39E-08 -7.92E-08 1.02E-07 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 90 88.7 291.72 36.03 1.08E-03 20 3.42E-08 -8.79E-08 1.10E-07 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 95 88.75 291.75 32.85 1.42E-03 20 4.70E-08 -1.20E-07 1.34E-07 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 100 88.8 283.85 33.11 1.68E-03 20 3.57E-08 -1.48E-07 1.59E-07 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 105 88.85 280.03 36.9 1.49E-03 20 2.20E-08 -1.27E-07 1.55E-07 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 110 88.9 286.02 44.06 1.17E-03 20 2.46E-08 -8.78E-08 1.41E-07 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 115 88.95 283.46 42.11 1.33E-03 20 2.44E-08 -1.04E-07 1.55E-07 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 120 89 282.16 39.09 1.43E-03 20 2.47E-08 -1.17E-07 1.56E-07 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 125 89.05 286.06 40.39 1.30E-03 20 2.90E-08 -1.03E-07 1.46E-07 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 130 89.1 291.87 42.6 1.25E-03 20 3.63E-08 -9.25E-08 1.46E-07 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 135 89.15 297.86 42.81 1.41E-03 20 5.13E-08 -9.92E-08 1.66E-07 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 140 89.2 302.92 43.36 1.80E-03 20 7.56E-08 -1.19E-07 2.15E-07 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 145 89.25 294.26 35.78 2.70E-03 20 9.55E-08 -2.17E-07 2.74E-07 03/12/97 Yes Yes 2097 172 1061 C 10 H 5 150 89.3 283.75 35.52 1.67E-03 20 3.43E-08 -1.43E-07 1.69E-07 03/12/97 Yes Yes 2097 172 1061 C 10 H 6 0 89.3 311.01 39.01 9.12E-04 20 4.93E-08 -5.80E-08 9.96E-08 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 5 89.35 294.66 37.88 2.14E-03 20 7.46E-08 -1.66E-07 2.27E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 10 89.4 288.67 45.2 2.31E-03 20 5.52E-08 -1.67E-07 2.84E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 15 89.45 289.18 46.65 2.38E-03 20 5.69E-08 -1.67E-07 3.00E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 20 89.5 290.52 47.06 2.64E-03 20 6.69E-08 -1.83E-07 3.35E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 25 89.55 291.38 43.8 2.88E-03 20 8.04E-08 -2.10E-07 3.46E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 30 89.6 288.07 36.1 3.61E-03 20 9.60E-08 -3.01E-07 3.69E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 35 89.65 284.8 34.92 3.02E-03 20 6.71E-08 -2.60E-07 3.00E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 40 89.7 289.16 26.09 3.28E-03 20 1.02E-07 -3.01E-07 2.50E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 45 89.75 291.12 30.29 2.49E-03 20 8.21E-08 -2.17E-07 2.18E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 50 89.8 298.83 41.2 1.42E-03 20 5.46E-08 -1.01E-07 1.62E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 55 89.85 300.2 25.18 2.21E-03 20 1.07E-07 -1.88E-07 1.63E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 60 89.9 297.51 22.1 3.22E-03 20 1.46E-07 -2.87E-07 2.10E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 65 89.95 298.2 20.66 3.74E-03 20 1.76E-07 -3.35E-07 2.29E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 70 90 302.68 28.45 3.01E-03 20 1.52E-07 -2.42E-07 2.49E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 75 90.05 298.92 30.35 2.99E-03 20 1.32E-07 -2.45E-07 2.62E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 80 90.1 297.35 32.07 3.32E-03 20 1.37E-07 -2.71E-07 3.05E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 85 90.15 308.1 35.64 4.09E-03 20 2.18E-07 -2.84E-07 4.13E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 90 90.2 298.63 36.78 4.19E-03 20 1.71E-07 -3.20E-07 4.35E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 95 90.25 293.62 43.68 2.78E-03 20 8.55E-08 -2.00E-07 3.33E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 100 90.3 300.49 53.77 1.47E-03 20 4.67E-08 -8.11E-08 2.05E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 105 90.35 298.92 40.02 1.40E-03 20 5.52E-08 -1.02E-07 1.57E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 110 90.4 295.13 38.72 1.38E-03 20 4.87E-08 -1.06E-07 1.50E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 115 90.45 300.76 49.52 1.12E-03 20 3.95E-08 -6.79E-08 1.48E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 120 90.5 307.49 38.31 1.68E-03 20 8.50E-08 -1.13E-07 1.80E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 125 90.55 305.02 24.56 3.62E-03 20 2.00E-07 -2.92E-07 2.61E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 130 90.6 300.97 24.12 4.39E-03 20 2.18E-07 -3.72E-07 3.11E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 135 90.65 297.59 35.85 2.33E-03 20 9.28E-08 -1.82E-07 2.37E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 140 90.7 296.06 30.31 3.02E-03 20 1.22E-07 -2.54E-07 2.64E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 145 90.75 289.08 20.94 6.97E-03 20 2.26E-07 -6.67E-07 4.32E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 6 150 90.8 285.09 25.33 5.20E-03 20 1.30E-07 -4.92E-07 3.86E-07 03/12/97 Yes Yes 2099 172 1061 C 10 H 7 0 90.8 291.33 28.25 7.03E-03 20 2.39E-07 -6.26E-07 5.77E-07 03/12/97 Yes Yes 2101 172 1061 C 10 H 7 5 90.85 288.93 19.27 1.13E-02 20 3.67E-07 -1.10E-06 6.47E-07 03/12/97 Yes Yes 2101 172 1061 C 10 H 7 10 90.9 286.86 21.81 7.30E-03 20 2.09E-07 -7.04E-07 4.70E-07 03/12/97 Yes Yes 2101 172 1061 C 10 H 7 15 90.95 287.4 32.68 2.52E-03 20 6.73E-08 -2.20E-07 2.36E-07 03/12/97 Yes Yes 2101 172 1061 C 10 H 7 20 91 286.59 39.37 1.30E-03 20 3.04E-08 -1.04E-07 1.43E-07 03/12/97 Yes Yes 2101 172 1061 C 10 H 7 25 91.05 292.43 34.16 1.30E-03 20 4.34E-08 -1.07E-07 1.26E-07 03/12/97 Yes Yes 2101 172 1061 C 10 H 7 30 91.1 301.2 35.43 1.51E-03 20 6.74E-08 -1.14E-07 1.51E-07 03/12/97 Yes Yes 2101 172 1061 C 10 H 7 35 91.15 298.55 35.77 1.61E-03 20 6.62E-08 -1.24E-07 1.63E-07 03/12/97 Yes Yes 2101 172 1061 C 10 H 7 40 91.2 299.15 33.94 1.57E-03 20 6.74E-08 -1.24E-07 1.52E-07 03/12/97 Yes Yes 2101 172 1061 C 10 H 7 45 91.25 296.76 33.51 1.40E-03 20 5.57E-08 -1.13E-07 1.34E-07 03/12/97 Yes Yes 2101 172 1061 C 10 H 7 50 91.3 291.75 37.35 1.10E-03 20 3.43E-08 -8.78E-08 1.15E-07 03/12/97 Yes Yes 2101 172 1061 C 10 H 7 55 91.35 295.55 39.22 1.04E-03 20 3.70E-08 -7.91E-08 1.14E-07 03/12/97 Yes Yes 2101 172 1061 C 10 H 7 60 91.4 292.8 45.02 1.09E-03 20 3.16E-08 -7.68E-08 1.33E-07 03/12/97 Yes Yes 2101 172 1061 C 10 H 7 65 91.45 292.7 41.36 9.87E-04 20 3.03E-08 -7.41E-08 1.13E-07 03/12/97 Yes Yes 2101 172 1061 C 10 H 7 70 91.5 295.09 38.19 9.06E-04 20 3.20E-08 -6.99E-08 9.71E-08 03/12/97 Yes Yes 2101 172 1061 C 10 H 7 75 91.55 290.4 67.87 4.70E-04 20 6.55E-09 -1.80E-08 7.55E-08 03/12/97 Yes Yes 2101 172 1061 C 11 H 1 0 91.3 3.84 14.36 8.14E-05 20 8.34E-09 5.72E-10 3.50E-09 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 5 91.35 301.25 -1.15 3.66E-04 20 2.01E-08 -3.39E-08 -1.27E-09 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 10 91.4 288.38 -13.12 4.02E-04 20 1.31E-08 -4.03E-08 -1.58E-08 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 15 91.45 107.67 10.28 1.94E-04 20 -6.15E-09 1.97E-08 6.01E-09 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 20 91.5 112.27 35.47 1.94E-04 20 -6.34E-09 1.58E-08 1.95E-08 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 25 91.55 248.54 83.37 2.28E-04 20 -1.02E-09 -2.66E-09 3.93E-08 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 30 91.6 39.7 68.83 5.18E-04 20 1.53E-08 1.30E-08 8.37E-08 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 35 91.65 294.99 54.4 9.68E-04 20 2.52E-08 -5.54E-08 1.36E-07 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 40 91.7 343.36 51.12 2.13E-03 20 1.36E-07 -4.15E-08 2.87E-07 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 45 91.75 348.8 38.4 4.97E-03 20 4.05E-07 -8.20E-08 5.35E-07 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 50 91.8 64.5 44.87 3.10E-03 20 1.00E-07 2.15E-07 3.79E-07 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 55 91.85 29.98 54.98 9.01E-04 20 4.75E-08 2.80E-08 1.28E-07 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 60 91.9 345.37 40.31 6.54E-04 20 5.12E-08 -1.37E-08 7.34E-08 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 65 91.95 6.85 30.1 8.70E-04 20 7.93E-08 9.73E-09 7.57E-08 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 70 92 13.2 29.05 1.01E-03 20 9.13E-08 2.19E-08 8.52E-08 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 75 92.05 11.64 34.82 8.81E-04 20 7.51E-08 1.58E-08 8.72E-08 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 80 92.1 355.17 31.43 7.38E-04 20 6.65E-08 -5.75E-09 6.67E-08 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 85 92.15 1.55 29.06 7.29E-04 20 6.75E-08 1.87E-09 6.14E-08 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 90 92.2 0.9 30.03 6.60E-04 20 6.06E-08 9.70E-10 5.72E-08 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 95 92.25 353.63 29.81 8.11E-04 20 7.41E-08 -8.46E-09 6.99E-08 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 100 92.3 4.28 33.72 7.94E-04 20 6.98E-08 5.34E-09 7.64E-08 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 105 92.35 0.31 25.45 9.91E-04 20 9.49E-08 5.17E-10 7.38E-08 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 110 92.4 356.56 22.9 1.05E-03 20 1.03E-07 -6.31E-09 7.10E-08 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 115 92.45 354.61 25.55 9.55E-04 20 9.09E-08 -8.77E-09 7.14E-08 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 120 92.5 350.53 30.54 8.38E-04 20 7.55E-08 -1.29E-08 7.39E-08 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 125 92.55 348.66 33.56 7.96E-04 20 6.89E-08 -1.41E-08 7.63E-08 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 130 92.6 342.3 35.16 8.60E-04 20 7.10E-08 -2.32E-08 8.59E-08 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 135 92.65 278.88 46.1 7.13E-04 20 8.10E-09 -5.30E-08 8.91E-08 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 140 92.7 190.26 84.68 9.13E-04 20 -8.83E-09 -1.63E-09 1.58E-07 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 145 92.75 20.35 31.54 4.52E-03 20 3.83E-07 1.45E-07 4.10E-07 03/12/97 Yes Yes 2103 172 1061 C 11 H 1 150 92.8 6.01 71 4.25E-03 20 1.46E-07 1.57E-08 6.96E-07 03/12/97 Yes Yes 2103 172 1061 C 11 H 2 0 92.8 6.72 32.38 3.30E-04 20 2.93E-08 3.54E-09 3.06E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 5 92.85 5.41 27.14 7.57E-04 20 7.11E-08 6.89E-09 5.99E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 10 92.9 1.58 27.23 7.97E-04 20 7.51E-08 2.12E-09 6.32E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 15 92.95 357.18 30.22 7.65E-04 20 7.00E-08 -3.53E-09 6.67E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 20 93 357.41 29.27 7.81E-04 20 7.22E-08 -3.33E-09 6.62E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 25 93.05 357.35 26.82 9.49E-04 20 8.97E-08 -4.24E-09 7.42E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 30 93.1 359.77 29.38 9.58E-04 20 8.85E-08 -3.57E-10 8.14E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 35 93.15 358.55 33.27 8.76E-04 20 7.76E-08 -2.02E-09 8.33E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 40 93.2 351.73 35.65 8.46E-04 20 7.21E-08 -1.07E-08 8.55E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 45 93.25 356.8 40.05 8.06E-04 20 6.54E-08 -3.73E-09 8.99E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 50 93.3 2.53 38.09 8.25E-04 20 6.88E-08 3.11E-09 8.82E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 55 93.35 356.75 40 7.96E-04 20 6.46E-08 -3.75E-09 8.87E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 60 93.4 356.49 39.66 7.50E-04 20 6.11E-08 -3.84E-09 8.30E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 65 93.45 357.76 36.64 7.20E-04 20 6.12E-08 -2.45E-09 7.45E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 70 93.5 356.03 26 7.24E-04 20 6.89E-08 -4.89E-09 5.50E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 75 93.55 355.12 28.79 5.87E-04 20 5.44E-08 -4.75E-09 4.90E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 80 93.6 359.17 26 6.05E-04 20 5.77E-08 -8.50E-10 4.60E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 85 93.65 346.49 22.7 6.75E-04 20 6.42E-08 -1.58E-08 4.52E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 90 93.7 345.83 18.72 4.98E-04 20 4.85E-08 -1.25E-08 2.77E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 95 93.75 19.34 21.95 4.66E-04 20 4.32E-08 1.55E-08 3.02E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 100 93.8 356.59 27.86 4.87E-04 20 4.56E-08 -2.78E-09 3.95E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 105 93.85 354.07 28.09 5.28E-04 20 4.91E-08 -5.22E-09 4.31E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 110 93.9 349.9 33.25 4.86E-04 20 4.24E-08 -7.73E-09 4.62E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 115 93.95 350.17 36.32 4.78E-04 20 4.03E-08 -7.13E-09 4.91E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 120 94 345.08 34.42 5.01E-04 20 4.24E-08 -1.15E-08 4.91E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 125 94.05 335.65 33.1 5.71E-04 20 4.62E-08 -2.14E-08 5.40E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 130 94.1 339.45 37.01 5.19E-04 20 4.12E-08 -1.58E-08 5.42E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 135 94.15 343.48 36.46 5.48E-04 20 4.49E-08 -1.36E-08 5.65E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 140 94.2 350.24 38.02 6.10E-04 20 5.02E-08 -8.84E-09 6.52E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 145 94.25 353.48 36.89 6.68E-04 20 5.63E-08 -6.58E-09 6.96E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 2 150 94.3 329.01 44.38 3.29E-04 20 2.14E-08 -1.31E-08 3.99E-08 03/12/97 Yes Yes 2105 172 1061 C 11 H 3 0 94.3 351.79 36.99 3.14E-04 20 2.63E-08 -3.89E-09 3.28E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 5 94.35 350.85 34.27 7.57E-04 20 6.55E-08 -1.08E-08 7.39E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 10 94.4 355.35 36.09 8.37E-04 20 7.15E-08 -5.95E-09 8.55E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 15 94.45 15.42 43.73 6.22E-04 20 4.60E-08 1.30E-08 7.45E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 20 94.5 54.83 56.58 3.57E-04 20 1.20E-08 1.74E-08 5.17E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 25 94.55 341.92 57.37 1.95E-04 20 1.06E-08 -3.55E-09 2.85E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 30 94.6 308.13 56.77 1.61E-04 20 5.76E-09 -7.51E-09 2.33E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 35 94.65 225.85 45.66 3.01E-04 20 -1.55E-08 -1.64E-08 3.73E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 40 94.7 85.16 47.2 2.46E-04 20 1.50E-09 1.81E-08 3.14E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 45 94.75 8.21 47.61 1.80E-04 20 1.27E-08 1.88E-09 2.30E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 50 94.8 350.02 35.49 3.04E-04 20 2.59E-08 -4.66E-09 3.06E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 55 94.85 0.64 29.13 4.99E-04 20 4.62E-08 5.27E-10 4.21E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 60 94.9 355.22 31.93 5.12E-04 20 4.59E-08 -3.93E-09 4.69E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 65 94.95 348.87 38.5 4.06E-04 20 3.30E-08 -6.64E-09 4.38E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 70 95 349.24 42.66 3.51E-04 20 2.69E-08 -5.23E-09 4.13E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 75 95.05 355.69 46.05 3.51E-04 20 2.58E-08 -1.99E-09 4.39E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 80 95.1 11.61 43.15 3.51E-04 20 2.66E-08 5.59E-09 4.16E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 85 95.15 0.55 36.27 4.10E-04 20 3.50E-08 3.44E-10 4.20E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 90 95.2 348.77 42.43 3.89E-04 20 2.98E-08 -6.06E-09 4.55E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 95 95.25 347.75 42.7 3.49E-04 20 2.66E-08 -5.90E-09 4.10E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 100 95.3 347.05 35.14 3.82E-04 20 3.23E-08 -7.59E-09 3.81E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 105 95.35 347.3 34.88 3.93E-04 20 3.33E-08 -7.68E-09 3.89E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 110 95.4 333.75 52.49 2.26E-04 20 1.31E-08 -6.61E-09 3.11E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 115 95.45 327.97 49.4 1.48E-04 20 8.65E-09 -5.53E-09 1.94E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 120 95.5 338.23 31.62 3.95E-04 20 3.31E-08 -1.35E-08 3.59E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 125 95.55 338.85 34.74 4.16E-04 20 3.38E-08 -1.34E-08 4.11E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 130 95.6 336.27 30.95 4.30E-04 20 3.58E-08 -1.61E-08 3.84E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 135 95.65 338.77 29.9 4.21E-04 20 3.61E-08 -1.43E-08 3.64E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 140 95.7 343.48 24.86 4.34E-04 20 4.00E-08 -1.21E-08 3.16E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 145 95.75 346.25 21.04 4.82E-04 20 4.63E-08 -1.16E-08 3.00E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 3 150 95.8 349.63 30.57 2.74E-04 20 2.46E-08 -4.60E-09 2.41E-08 03/12/97 Yes Yes 2107 172 1061 C 11 H 4 0 95.8 345.32 25.41 1.94E-04 20 1.79E-08 -4.80E-09 1.44E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 5 95.85 343.86 21.69 5.56E-04 20 5.27E-08 -1.56E-08 3.56E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 10 95.9 344.25 28.84 5.30E-04 20 4.74E-08 -1.37E-08 4.43E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 15 95.95 342.98 41.99 3.61E-04 20 2.72E-08 -8.51E-09 4.19E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 20 96 345.1 45.14 3.42E-04 20 2.47E-08 -6.72E-09 4.20E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 25 96.05 337.84 44.59 3.96E-04 20 2.77E-08 -1.15E-08 4.82E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 30 96.1 326.74 35.68 5.76E-04 20 4.15E-08 -2.78E-08 5.82E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 35 96.15 337.82 34.14 6.63E-04 20 5.39E-08 -2.25E-08 6.45E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 40 96.2 346.59 39.04 4.20E-04 20 3.37E-08 -8.20E-09 4.59E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 45 96.25 354.86 53.46 1.85E-04 20 1.16E-08 -1.07E-09 2.57E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 50 96.3 346.92 67.25 1.17E-04 20 4.66E-09 -1.11E-09 1.87E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 55 96.35 345.96 59.76 1.09E-04 20 5.62E-09 -1.44E-09 1.63E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 60 96.4 348.83 41.4 1.41E-04 20 1.10E-08 -2.22E-09 1.62E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 65 96.45 350.24 37.45 1.65E-04 20 1.37E-08 -2.41E-09 1.74E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 70 96.5 350.81 48.81 1.22E-04 20 8.42E-09 -1.39E-09 1.59E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 75 96.55 344.99 62.44 8.85E-05 20 4.20E-09 -1.15E-09 1.36E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 80 96.6 328.94 67.05 9.25E-05 20 3.28E-09 -2.02E-09 1.48E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 85 96.65 350.5 47.98 1.53E-04 20 1.07E-08 -1.83E-09 1.97E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 90 96.7 351.3 47.77 2.08E-04 20 1.47E-08 -2.29E-09 2.67E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 95 96.75 341.67 52.61 2.21E-04 20 1.35E-08 -4.59E-09 3.05E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 100 96.8 341.29 47.5 2.55E-04 20 1.73E-08 -5.99E-09 3.25E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 105 96.85 335.92 49.51 2.53E-04 20 1.59E-08 -7.27E-09 3.34E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 110 96.9 333.39 48.36 2.47E-04 20 1.56E-08 -7.98E-09 3.20E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 115 96.95 335.22 43.61 2.49E-04 20 1.74E-08 -8.20E-09 2.98E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 120 97 335.55 40.4 2.47E-04 20 1.82E-08 -8.46E-09 2.78E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 125 97.05 335.47 38.28 2.51E-04 20 1.90E-08 -8.88E-09 2.70E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 130 97.1 341.24 37.37 2.40E-04 20 1.91E-08 -6.64E-09 2.52E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 135 97.15 342.53 36.17 2.47E-04 20 2.02E-08 -6.49E-09 2.53E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 140 97.2 339.9 38.32 2.37E-04 20 1.85E-08 -6.92E-09 2.54E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 145 97.25 344.79 38.53 2.06E-04 20 1.65E-08 -4.59E-09 2.23E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 4 150 97.3 350.72 57.42 9.20E-05 20 5.19E-09 -8.66E-10 1.34E-08 03/12/97 Yes Yes 2109 172 1061 C 11 H 5 0 97.3 6.28 33.88 7.63E-05 20 6.68E-09 7.51E-10 7.38E-09 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 5 97.35 359.12 38.97 1.35E-04 20 1.11E-08 -1.75E-10 1.47E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 10 97.4 1.61 46.38 1.55E-04 20 1.14E-08 3.26E-10 1.95E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 15 97.45 0.7 43.78 2.24E-04 20 1.72E-08 2.14E-10 2.69E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 20 97.5 359.32 43.67 2.36E-04 20 1.81E-08 -2.20E-10 2.82E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 25 97.55 350.63 42.9 2.01E-04 20 1.54E-08 -2.60E-09 2.37E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 30 97.6 343.09 44.62 1.78E-04 20 1.28E-08 -3.99E-09 2.17E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 35 97.65 337.68 42.54 1.85E-04 20 1.34E-08 -5.63E-09 2.17E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 40 97.7 339.73 41.59 1.98E-04 20 1.47E-08 -5.57E-09 2.28E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 45 97.75 342.79 42.16 2.05E-04 20 1.54E-08 -4.88E-09 2.39E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 50 97.8 339.68 38.79 2.11E-04 20 1.64E-08 -6.20E-09 2.29E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 55 97.85 339.49 40.49 2.11E-04 20 1.59E-08 -6.09E-09 2.37E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 60 97.9 343.68 43.9 2.14E-04 20 1.57E-08 -4.69E-09 2.57E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 65 97.95 336.56 43.14 2.14E-04 20 1.52E-08 -6.75E-09 2.54E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 70 98 335.88 40.12 2.13E-04 20 1.58E-08 -7.24E-09 2.38E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 75 98.05 341.95 37.54 2.09E-04 20 1.67E-08 -5.56E-09 2.20E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 80 98.1 339.18 30.13 2.49E-04 20 2.14E-08 -8.31E-09 2.17E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 85 98.15 345.29 25.82 2.56E-04 20 2.36E-08 -6.34E-09 1.93E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 90 98.2 355.3 23.52 2.37E-04 20 2.29E-08 -1.93E-09 1.64E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 95 98.25 357.35 20.63 2.27E-04 20 2.25E-08 -1.06E-09 1.38E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 100 98.3 358.3 21.98 2.55E-04 20 2.51E-08 -7.63E-10 1.66E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 105 98.35 355.15 22.35 3.09E-04 20 3.02E-08 -2.62E-09 2.04E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 110 98.4 359.05 27.28 3.27E-04 20 3.08E-08 -5.25E-10 2.60E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 115 98.45 3.55 29.87 3.50E-04 20 3.21E-08 2.04E-09 3.02E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 120 98.5 356.84 31.84 3.56E-04 20 3.20E-08 -1.81E-09 3.25E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 125 98.55 353.37 30.36 3.21E-04 20 2.92E-08 -3.47E-09 2.81E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 130 98.6 352.96 27.07 2.81E-04 20 2.64E-08 -3.33E-09 2.22E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 135 98.65 352.08 29.16 2.61E-04 20 2.40E-08 -3.41E-09 2.21E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 140 98.7 354.24 34.06 2.39E-04 20 2.09E-08 -2.16E-09 2.32E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 145 98.75 353.65 35.95 2.03E-04 20 1.74E-08 -1.97E-09 2.07E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 5 150 98.8 342.02 44.82 1.07E-04 20 7.62E-09 -2.53E-09 1.30E-08 03/12/97 Yes Yes 2111 172 1061 C 11 H 6 0 98.8 339.04 49.4 1.26E-04 20 8.10E-09 -3.17E-09 1.65E-08 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 5 98.85 348.46 32.8 6.65E-04 20 5.81E-08 -1.21E-08 6.24E-08 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 10 98.9 352.48 31.32 1.24E-03 20 1.12E-07 -1.51E-08 1.12E-07 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 15 98.95 355.67 40.35 9.22E-04 20 7.43E-08 -5.75E-09 1.03E-07 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 20 99 358.68 54.58 4.70E-04 20 2.89E-08 -6.79E-10 6.64E-08 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 25 99.05 2.22 55.5 3.32E-04 20 1.99E-08 7.88E-10 4.74E-08 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 30 99.1 4.93 52.15 3.75E-04 20 2.43E-08 2.14E-09 5.13E-08 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 35 99.15 350.36 41.74 4.28E-04 20 3.34E-08 -5.80E-09 4.94E-08 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 40 99.2 354.57 39.05 4.54E-04 20 3.73E-08 -3.62E-09 4.96E-08 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 45 99.25 352.75 42.81 3.84E-04 20 2.96E-08 -3.86E-09 4.52E-08 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 50 99.3 356.55 46.58 2.74E-04 20 1.99E-08 -1.23E-09 3.45E-08 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 55 99.35 350.14 43.87 2.06E-04 20 1.55E-08 -2.76E-09 2.48E-08 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 60 99.4 346.78 41.1 1.57E-04 20 1.22E-08 -2.94E-09 1.79E-08 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 65 99.45 343.14 30.53 1.52E-04 20 1.33E-08 -4.12E-09 1.34E-08 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 70 99.5 20.62 34.05 1.59E-04 20 1.30E-08 5.02E-09 1.54E-08 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 75 99.55 353.95 33.81 1.62E-04 20 1.42E-08 -1.54E-09 1.56E-08 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 80 99.6 343.14 28.99 2.28E-04 20 2.02E-08 -6.27E-09 1.91E-08 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 85 99.65 353.94 40.23 2.35E-04 20 1.90E-08 -2.06E-09 2.63E-08 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 90 99.7 350.42 43.66 2.85E-04 20 2.15E-08 -3.72E-09 3.41E-08 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 95 99.75 355.04 42.79 3.71E-04 20 2.87E-08 -2.55E-09 4.36E-08 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 100 99.8 0.44 38.48 6.33E-04 20 5.26E-08 4.15E-10 6.83E-08 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 105 99.85 355.2 39.34 7.78E-04 20 6.36E-08 -5.46E-09 8.55E-08 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 110 99.9 359.82 36.46 8.68E-04 20 7.40E-08 -2.33E-10 8.94E-08 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 115 99.95 1.25 39.69 5.73E-04 20 4.67E-08 1.04E-09 6.34E-08 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 120 100 345.01 39.29 3.58E-04 20 2.84E-08 -7.78E-09 3.93E-08 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 125 100.05 344.29 29.42 3.74E-04 20 3.32E-08 -9.55E-09 3.18E-08 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 130 100.1 346.23 27.55 3.31E-04 20 3.02E-08 -7.58E-09 2.65E-08 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 135 100.15 348.01 28.45 2.49E-04 20 2.27E-08 -4.94E-09 2.06E-08 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 140 100.2 352.29 22.65 2.84E-04 20 2.76E-08 -3.82E-09 1.90E-08 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 145 100.25 0.02 18.93 3.72E-04 20 3.73E-08 1.12E-11 2.09E-08 03/12/97 Yes Yes 2113 172 1061 C 11 H 6 150 100.3 3.99 25.37 2.26E-04 20 2.16E-08 1.54E-09 1.68E-08 03/12/97 Yes Yes 2113 172 1061 C 11 H 7 0 100.3 359.9 38.51 7.53E-05 20 6.25E-09 -1.08E-11 8.13E-09 03/12/97 Yes Yes 2115 172 1061 C 11 H 7 5 100.35 358.07 39.44 1.95E-04 20 1.60E-08 -5.49E-10 2.15E-08 03/12/97 Yes Yes 2115 172 1061 C 11 H 7 10 100.4 351.38 35.07 3.85E-04 20 3.30E-08 -5.12E-09 3.83E-08 03/12/97 Yes Yes 2115 172 1061 C 11 H 7 15 100.45 345.85 28.76 9.97E-04 20 8.99E-08 -2.32E-08 8.32E-08 03/12/97 Yes Yes 2115 172 1061 C 11 H 7 20 100.5 347.45 26.37 1.96E-03 20 1.82E-07 -4.14E-08 1.51E-07 03/12/97 Yes Yes 2115 172 1061 C 11 H 7 25 100.55 350.84 27.62 2.40E-03 20 2.23E-07 -3.67E-08 1.93E-07 03/12/97 Yes Yes 2115 172 1061 C 11 H 7 30 100.6 351.9 37.36 1.30E-03 20 1.09E-07 -1.58E-08 1.37E-07 03/12/97 Yes Yes 2115 172 1061 C 11 H 7 35 100.65 348.91 56.84 5.83E-04 20 3.32E-08 -6.65E-09 8.46E-08 03/12/97 Yes Yes 2115 172 1061 C 11 H 7 40 100.7 345.5 34.87 1.01E-03 20 8.52E-08 -2.25E-08 1.00E-07 03/12/97 Yes Yes 2115 172 1061 C 11 H 7 45 100.75 345.61 27.91 2.23E-03 20 2.03E-07 -5.32E-08 1.81E-07 03/12/97 Yes Yes 2115 172 1061 C 11 H 7 50 100.8 345.44 31.02 3.35E-03 20 2.95E-07 -7.84E-08 3.00E-07 03/12/97 Yes Yes 2115 172 1061 C 11 H 7 55 100.85 351.02 39.39 3.22E-03 20 2.60E-07 -4.21E-08 3.54E-07 03/12/97 Yes Yes 2115 172 1061 C 11 H 7 60 100.9 354.62 34.9 3.20E-03 20 2.77E-07 -2.67E-08 3.17E-07 03/12/97 Yes Yes 2115 172 1061 C 11 H 7 65 100.95 349.86 32.29 2.92E-03 20 2.58E-07 -4.72E-08 2.71E-07 03/12/97 Yes Yes 2115 172 1061 C 12 H 1 0 100.8 242.5 -22.68 3.97E-03 20 -1.79E-07 -3.52E-07 -2.65E-07 03/12/97 Yes Yes 2117 172 1061 C 12 H 1 5 100.85 307.32 0.78 5.40E-03 20 3.47E-07 -4.66E-07 1.28E-08 03/12/97 Yes Yes 2117 172 1061 C 12 H 1 10 100.9 344.16 22.75 1.11E-02 20 1.04E-06 -3.02E-07 7.41E-07 03/12/97 Yes Yes 2117 172 1061 C 12 H 1 15 100.95 341.93 28.13 1.40E-02 20 1.25E-06 -4.16E-07 1.15E-06 03/12/97 Yes Yes 2117 172 1061 C 12 H 1 20 101 330.61 30.83 1.51E-02 20 1.20E-06 -6.92E-07 1.34E-06 03/12/97 Yes Yes 2117 172 1061 C 12 H 1 25 101.05 321.78 43.38 1.20E-02 20 7.28E-07 -5.86E-07 1.43E-06 03/12/97 Yes Yes 2117 172 1061 C 12 H 1 30 101.1 338.99 43.05 1.01E-02 20 7.29E-07 -2.86E-07 1.19E-06 03/12/97 Yes Yes 2117 172 1061 C 12 H 1 35 101.15 349.14 38.31 1.14E-02 20 9.29E-07 -1.82E-07 1.22E-06 03/12/97 Yes Yes 2117 172 1061 C 12 H 1 40 101.2 317.29 39.48 9.79E-03 20 5.89E-07 -5.56E-07 1.08E-06 03/12/97 Yes Yes 2117 172 1061 C 12 H 1 45 101.25 359.9 50.26 4.57E-03 20 3.10E-07 -5.61E-10 6.09E-07 03/12/97 Yes Yes 2117 172 1061 C 12 H 1 50 101.3 330.14 48.65 4.96E-03 20 3.01E-07 -1.77E-07 6.46E-07 03/12/97 Yes Yes 2117 172 1061 C 12 H 1 55 101.35 309.21 30.29 3.67E-03 20 2.12E-07 -2.66E-07 3.21E-07 03/12/97 Yes Yes 2117 172 1061 C 12 H 1 60 101.4 326.56 34.46 2.31E-03 20 1.69E-07 -1.14E-07 2.27E-07 03/12/97 Yes Yes 2117 172 1061 C 12 H 1 65 101.45 17.43 60.35 8.71E-04 20 4.36E-08 1.40E-08 1.31E-07 03/12/97 Yes Yes 2117 172 1061 C 12 H 1 70 101.5 20.19 21.87 1.28E-03 20 1.18E-07 4.44E-08 8.25E-08 03/12/97 Yes Yes 2117 172 1061 C 12 H 1 75 101.55 340.24 34.03 3.69E-03 20 3.05E-07 -1.12E-07 3.58E-07 03/12/97 Yes Yes 2117 172 1061 C 12 H 1 80 101.6 340.75 28.25 1.04E-02 20 9.19E-07 -3.28E-07 8.55E-07 03/12/97 Yes Yes 2117 172 1061 C 12 H 1 85 101.65 334.78 26.32 1.42E-02 20 1.22E-06 -5.89E-07 1.09E-06 03/12/97 Yes Yes 2117 172 1061 C 12 H 1 90 101.7 333.82 25.83 1.46E-02 20 1.25E-06 -6.28E-07 1.10E-06 03/12/97 Yes Yes 2117 172 1061 C 12 H 1 95 101.75 340.03 27.66 1.24E-02 20 1.09E-06 -4.06E-07 9.95E-07 03/12/97 Yes Yes 2117 172 1061 C 12 H 1 100 101.8 343.85 28.94 1.03E-02 20 9.14E-07 -2.71E-07 8.60E-07 03/12/97 Yes Yes 2117 172 1061 C 12 H 1 105 101.85 343.82 25.72 1.06E-02 20 9.72E-07 -2.88E-07 7.97E-07 03/12/97 Yes Yes 2117 172 1061 C 12 H 1 110 101.9 348.83 26.32 1.27E-02 20 1.19E-06 -2.40E-07 9.79E-07 03/12/97 Yes Yes 2117 172 1061 C 12 H 1 115 101.95 353.13 23.34 2.06E-02 20 1.99E-06 -2.46E-07 1.42E-06 03/12/97 Yes Yes 2117 172 1061 C 12 H 1 120 102 336.46 34.06 1.35E-02 20 1.09E-06 -4.86E-07 1.32E-06 03/12/97 Yes Yes 2117 172 1061 C 12 H 1 125 102.05 338.3 33.69 1.01E-02 20 8.25E-07 -3.36E-07 9.67E-07 03/12/97 Yes Yes 2117 172 1061 C 12 H 1 130 102.1 344.48 28.74 1.32E-02 20 1.18E-06 -3.35E-07 1.10E-06 03/12/97 Yes Yes 2117 172 1061 C 12 H 1 135 102.15 343.59 32.22 1.26E-02 20 1.09E-06 -3.27E-07 1.17E-06 03/12/97 Yes Yes 2117 172 1061 C 12 H 1 140 102.2 356.44 60.66 7.58E-03 20 3.93E-07 -2.51E-08 1.15E-06 03/12/97 Yes Yes 2117 172 1061 C 12 H 1 145 102.25 332.97 34.81 1.30E-02 20 1.01E-06 -5.26E-07 1.29E-06 03/12/97 Yes Yes 2117 172 1061 C 12 H 2 0 102.3 339.44 25.28 2.60E-03 20 2.34E-07 -8.97E-08 1.93E-07 03/12/97 Yes Yes 2119 172 1061 C 12 H 2 5 102.35 334.81 24.16 6.95E-03 20 6.09E-07 -2.93E-07 4.93E-07 03/12/97 Yes Yes 2119 172 1061 C 12 H 2 10 102.4 335.27 25.55 6.30E-03 20 5.48E-07 -2.58E-07 4.71E-07 03/12/97 Yes Yes 2119 172 1061 C 12 H 2 15 102.45 339.56 32.5 4.59E-03 20 3.85E-07 -1.47E-07 4.28E-07 03/12/97 Yes Yes 2119 172 1061 C 12 H 2 20 102.5 335.41 33.25 5.09E-03 20 4.10E-07 -1.92E-07 4.83E-07 03/12/97 Yes Yes 2119 172 1061 C 12 H 2 25 102.55 334.24 37.71 6.10E-03 20 4.61E-07 -2.28E-07 6.47E-07 03/12/97 Yes Yes 2119 172 1061 C 12 H 2 30 102.6 341.63 37.12 5.96E-03 20 4.78E-07 -1.62E-07 6.24E-07 03/12/97 Yes Yes 2119 172 1061 C 12 H 2 35 102.65 339.45 27.82 1.33E-02 20 1.17E-06 -4.48E-07 1.08E-06 03/12/97 Yes Yes 2119 172 1061 C 12 H 2 40 102.7 338.01 28.17 2.53E-02 20 2.20E-06 -9.07E-07 2.07E-06 03/12/97 Yes Yes 2119 172 1061 C 12 H 2 45 102.75 338.42 37.77 1.48E-02 20 1.15E-06 -4.67E-07 1.57E-06 03/12/97 Yes Yes 2119 172 1061 C 12 H 2 50 102.8 337.66 38.81 8.52E-03 20 6.51E-07 -2.74E-07 9.26E-07 03/12/97 Yes Yes 2119 172 1061 C 12 H 2 55 102.85 336.14 32.05 8.72E-03 20 7.17E-07 -3.24E-07 8.02E-07 03/12/97 Yes Yes 2119 172 1061 C 12 H 2 60 102.9 339.03 31.2 8.36E-03 20 7.08E-07 -2.77E-07 7.51E-07 03/12/97 Yes Yes 2119 172 1061 C 12 H 2 65 102.95 338.84 29.56 9.11E-03 20 7.84E-07 -3.10E-07 7.80E-07 03/12/97 Yes Yes 2119 172 1061 C 12 H 2 70 103 338.48 29.24 9.62E-03 20 8.28E-07 -3.34E-07 8.15E-07 03/12/97 Yes Yes 2119 172 1061 C 12 H 2 75 103.05 337.18 29.06 9.83E-03 20 8.40E-07 -3.61E-07 8.27E-07 03/12/97 Yes Yes 2119 172 1061 C 12 H 2 80 103.1 335.9 29.32 9.79E-03 20 8.26E-07 -3.78E-07 8.31E-07 03/12/97 Yes Yes 2119 172 1061 C 12 H 2 85 103.15 339.25 30.9 9.47E-03 20 8.06E-07 -3.12E-07 8.43E-07 03/12/97 Yes Yes 2119 172 1061 C 12 H 2 90 103.2 340.71 30.25 9.82E-03 20 8.49E-07 -3.04E-07 8.58E-07 03/12/97 Yes Yes 2119 172 1061 C 12 H 2 95 103.25 333.67 34.65 7.60E-03 20 5.94E-07 -3.01E-07 7.49E-07 03/12/97 Yes Yes 2119 172 1061 C 12 H 2 100 103.3 331.56 41.73 4.61E-03 20 3.21E-07 -1.78E-07 5.32E-07 03/12/97 Yes Yes 2119 172 1061 C 12 H 2 105 103.35 337.62 40.51 4.10E-03 20 3.06E-07 -1.29E-07 4.62E-07 03/12/97 Yes Yes 2119 172 1061 C 12 H 2 110 103.4 337.65 34.02 5.29E-03 20 4.30E-07 -1.81E-07 5.13E-07 03/12/97 Yes Yes 2119 172 1061 C 12 H 2 115 103.45 332.92 24.07 9.33E-03 20 8.04E-07 -4.21E-07 6.60E-07 03/12/97 Yes Yes 2119 172 1061 C 12 H 2 120 103.5 330.25 17.73 1.06E-02 20 9.28E-07 -5.42E-07 5.58E-07 03/12/97 Yes Yes 2119 172 1061 C 12 H 2 125 103.55 335.1 16.35 1.01E-02 20 9.36E-07 -4.44E-07 4.95E-07 03/12/97 Yes Yes 2119 172 1061 C 12 H 2 130 103.6 339.18 9.84 1.21E-02 20 1.18E-06 -4.59E-07 3.58E-07 03/12/97 Yes Yes 2119 172 1061 C 12 H 2 135 103.65 343.89 12.32 1.33E-02 20 1.32E-06 -3.90E-07 4.91E-07 03/12/97 Yes Yes 2119 172 1061 C 12 H 2 140 103.7 349.76 12.45 1.40E-02 20 1.43E-06 -2.64E-07 5.23E-07 03/12/97 Yes Yes 2119 172 1061 C 12 H 2 145 103.75 348.56 14.46 1.25E-02 20 1.26E-06 -2.61E-07 5.42E-07 03/12/97 Yes Yes 2119 172 1061 C 12 H 3 0 103.8 350.99 26.35 5.56E-03 20 5.22E-07 -8.46E-08 4.28E-07 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 5 103.85 345.98 24.21 1.49E-02 20 1.40E-06 -3.58E-07 1.06E-06 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 10 103.9 344.28 30.32 1.36E-02 20 1.20E-06 -3.46E-07 1.19E-06 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 15 103.95 345.02 31.17 1.31E-02 20 1.15E-06 -3.14E-07 1.17E-06 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 20 104 343.75 34.38 1.17E-02 20 9.82E-07 -2.93E-07 1.14E-06 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 25 104.05 336.52 34.2 7.11E-03 20 5.72E-07 -2.54E-07 6.93E-07 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 30 104.1 333.11 23.94 7.50E-03 20 6.49E-07 -3.36E-07 5.28E-07 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 35 104.15 337.69 17.95 1.10E-02 20 1.03E-06 -4.32E-07 5.89E-07 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 40 104.2 336.63 22.84 1.09E-02 20 9.80E-07 -4.33E-07 7.35E-07 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 45 104.25 338.82 21.94 9.54E-03 20 8.75E-07 -3.47E-07 6.18E-07 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 50 104.3 342.56 18.21 8.97E-03 20 8.63E-07 -2.77E-07 4.86E-07 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 55 104.35 351.08 13.49 1.07E-02 20 1.09E-06 -1.75E-07 4.32E-07 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 60 104.4 357.01 16.9 8.32E-03 20 8.43E-07 -4.50E-08 4.19E-07 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 65 104.45 11.76 20.09 8.64E-03 20 8.42E-07 1.79E-07 5.14E-07 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 70 104.5 18.21 22.26 1.12E-02 20 1.04E-06 3.50E-07 7.32E-07 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 75 104.55 353.86 35.4 7.11E-03 20 6.12E-07 -6.72E-08 7.14E-07 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 80 104.6 313.05 29.78 5.34E-03 20 3.36E-07 -3.68E-07 4.60E-07 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 85 104.65 323.93 17.11 6.79E-03 20 5.56E-07 -4.14E-07 3.46E-07 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 90 104.7 332.77 22.4 6.08E-03 20 5.30E-07 -2.79E-07 4.02E-07 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 95 104.75 345.43 25.14 5.57E-03 20 5.18E-07 -1.38E-07 4.10E-07 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 100 104.8 352.33 17.89 6.73E-03 20 6.74E-07 -9.28E-08 3.59E-07 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 105 104.85 356.21 10.96 6.03E-03 20 6.26E-07 -4.25E-08 1.99E-07 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 110 104.9 356.33 6.55 4.61E-03 20 4.85E-07 -3.18E-08 9.13E-08 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 115 104.95 357.19 6.98 3.65E-03 20 3.84E-07 -1.93E-08 7.68E-08 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 120 105 348.84 11.11 2.18E-03 20 2.22E-07 -4.49E-08 7.27E-08 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 125 105.05 343.09 14.95 1.16E-03 20 1.14E-07 -3.54E-08 5.19E-08 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 130 105.1 341.54 30.98 8.10E-04 20 6.99E-08 -2.39E-08 7.23E-08 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 135 105.15 338.16 41.6 5.88E-04 20 4.33E-08 -1.77E-08 6.77E-08 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 140 105.2 349.98 30.57 7.83E-04 20 7.04E-08 -1.27E-08 6.90E-08 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 145 105.25 346.73 15.32 1.95E-03 20 1.94E-07 -4.67E-08 8.92E-08 03/12/97 Yes Yes 2121 172 1061 C 12 H 3 150 105.3 344.2 19.81 1.69E-03 20 1.62E-07 -4.70E-08 9.93E-08 03/12/97 Yes Yes 2121 172 1061 C 12 H 4 0 105.3 350.16 26.59 5.54E-04 20 5.18E-08 -9.18E-09 4.30E-08 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 5 105.35 340.68 22.78 2.01E-03 20 1.86E-07 -6.65E-08 1.35E-07 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 10 105.4 336.75 30.04 2.31E-03 20 1.95E-07 -8.58E-08 2.01E-07 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 15 105.45 339.57 39.62 1.66E-03 20 1.27E-07 -4.85E-08 1.84E-07 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 20 105.5 338.81 38.23 1.55E-03 20 1.20E-07 -4.76E-08 1.66E-07 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 25 105.55 338.93 36.78 1.51E-03 20 1.20E-07 -4.72E-08 1.57E-07 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 30 105.6 336.97 33.52 1.55E-03 20 1.26E-07 -5.47E-08 1.48E-07 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 35 105.65 335.36 26.99 2.11E-03 20 1.81E-07 -8.49E-08 1.66E-07 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 40 105.7 340.02 30.1 1.89E-03 20 1.63E-07 -6.06E-08 1.64E-07 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 45 105.75 353.02 19.7 2.27E-03 20 2.25E-07 -2.82E-08 1.33E-07 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 50 105.8 350.24 21.81 2.38E-03 20 2.31E-07 -4.07E-08 1.54E-07 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 55 105.85 351.96 29.26 1.39E-03 20 1.28E-07 -1.84E-08 1.18E-07 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 60 105.9 350.76 30.16 1.30E-03 20 1.18E-07 -1.97E-08 1.14E-07 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 65 105.95 341.86 40.02 8.97E-04 20 6.93E-08 -2.32E-08 1.00E-07 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 70 106 338.39 22.14 1.51E-03 20 1.38E-07 -5.59E-08 9.88E-08 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 75 106.05 341.77 20.2 2.45E-03 20 2.31E-07 -7.79E-08 1.46E-07 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 80 106.1 349.97 30.17 1.57E-03 20 1.42E-07 -2.57E-08 1.37E-07 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 85 106.15 344.01 22.95 1.95E-03 20 1.83E-07 -5.36E-08 1.32E-07 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 90 106.2 343.29 18.65 2.86E-03 20 2.75E-07 -8.45E-08 1.59E-07 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 95 106.25 344.35 18.05 3.63E-03 20 3.53E-07 -1.01E-07 1.95E-07 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 100 106.3 337.7 24.08 3.95E-03 20 3.53E-07 -1.48E-07 2.79E-07 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 105 106.35 335.14 36.01 2.83E-03 20 2.21E-07 -1.05E-07 2.89E-07 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 110 106.4 337.72 40.43 2.07E-03 20 1.54E-07 -6.47E-08 2.33E-07 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 115 106.45 347.16 59.06 1.02E-03 20 5.41E-08 -1.26E-08 1.51E-07 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 120 106.5 335.98 52.24 9.64E-04 20 5.72E-08 -2.61E-08 1.32E-07 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 125 106.55 336.98 39.28 1.56E-03 20 1.18E-07 -5.11E-08 1.71E-07 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 130 106.6 334.39 40.62 2.06E-03 20 1.50E-07 -7.33E-08 2.33E-07 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 135 106.65 328.06 49.28 1.86E-03 20 1.09E-07 -6.94E-08 2.44E-07 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 140 106.7 322.25 50.97 1.58E-03 20 8.32E-08 -6.59E-08 2.12E-07 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 145 106.75 319.54 39.11 2.13E-03 20 1.33E-07 -1.16E-07 2.32E-07 03/12/97 Yes Yes 2123 172 1061 C 12 H 4 150 106.8 318.33 45.34 1.62E-03 20 9.01E-08 -8.20E-08 1.99E-07 03/12/97 Yes Yes 2123 172 1061 C 12 H 5 0 106.8 325.79 38.39 6.58E-04 20 4.53E-08 -3.15E-08 7.09E-08 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 5 106.85 321.7 34.62 1.59E-03 20 1.09E-07 -8.80E-08 1.57E-07 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 10 106.9 325.74 36.87 1.63E-03 20 1.15E-07 -7.98E-08 1.70E-07 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 15 106.95 336.27 36.26 1.55E-03 20 1.21E-07 -5.46E-08 1.59E-07 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 20 107 342.91 36.24 1.73E-03 20 1.41E-07 -4.45E-08 1.77E-07 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 25 107.05 338.05 35.28 1.99E-03 20 1.60E-07 -6.60E-08 2.00E-07 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 30 107.1 336.06 38.46 1.81E-03 20 1.37E-07 -6.23E-08 1.95E-07 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 35 107.15 331.95 38.92 1.64E-03 20 1.19E-07 -6.50E-08 1.78E-07 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 40 107.2 331.94 35.07 1.85E-03 20 1.41E-07 -7.71E-08 1.84E-07 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 45 107.25 335.14 32.24 2.22E-03 20 1.81E-07 -8.55E-08 2.05E-07 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 50 107.3 339.49 34.35 2.43E-03 20 2.00E-07 -7.64E-08 2.38E-07 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 55 107.35 339.48 32.18 2.62E-03 20 2.20E-07 -8.42E-08 2.42E-07 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 60 107.4 338.06 23.09 3.50E-03 20 3.17E-07 -1.31E-07 2.38E-07 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 65 107.45 340.02 19.75 4.09E-03 20 3.83E-07 -1.42E-07 2.39E-07 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 70 107.5 338.93 21.78 3.06E-03 20 2.81E-07 -1.11E-07 1.97E-07 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 75 107.55 345.66 29.4 2.01E-03 20 1.80E-07 -4.70E-08 1.71E-07 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 80 107.6 348.26 33.32 1.76E-03 20 1.53E-07 -3.25E-08 1.68E-07 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 85 107.65 349.06 39.54 1.29E-03 20 1.03E-07 -2.04E-08 1.42E-07 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 90 107.7 352.52 48.39 9.05E-04 20 6.32E-08 -8.48E-09 1.17E-07 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 95 107.75 347.23 44.13 9.14E-04 20 6.79E-08 -1.57E-08 1.10E-07 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 100 107.8 347.36 32.99 1.61E-03 20 1.40E-07 -3.21E-08 1.52E-07 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 105 107.85 347.07 38.02 1.59E-03 20 1.29E-07 -3.03E-08 1.70E-07 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 110 107.9 346.71 44.19 1.14E-03 20 8.42E-08 -2.03E-08 1.37E-07 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 115 107.95 348.82 42.31 9.27E-04 20 7.14E-08 -1.44E-08 1.08E-07 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 120 108 348.72 34.01 1.09E-03 20 9.37E-08 -1.91E-08 1.05E-07 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 125 108.05 344.24 33.31 1.27E-03 20 1.08E-07 -3.12E-08 1.21E-07 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 130 108.1 341.43 32.6 1.19E-03 20 1.01E-07 -3.47E-08 1.11E-07 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 135 108.15 345.39 30.57 1.08E-03 20 9.55E-08 -2.55E-08 9.53E-08 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 140 108.2 350.44 32.55 7.94E-04 20 7.00E-08 -1.21E-08 7.41E-08 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 145 108.25 348.84 26.63 8.04E-04 20 7.48E-08 -1.51E-08 6.25E-08 03/12/97 Yes Yes 2125 172 1061 C 12 H 5 150 108.3 349.54 30.04 4.27E-04 20 3.86E-08 -7.28E-09 3.71E-08 03/12/97 Yes Yes 2125 172 1061 C 12 H 6 0 108.3 343.17 21.53 4.40E-04 20 4.16E-08 -1.29E-08 2.80E-08 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 5 108.35 342.35 22.1 9.64E-04 20 9.02E-08 -2.94E-08 6.28E-08 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 10 108.4 342.93 26.29 7.70E-04 20 7.00E-08 -2.20E-08 5.92E-08 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 15 108.45 339.61 30.04 6.76E-04 20 5.82E-08 -2.21E-08 5.86E-08 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 20 108.5 340.14 29.62 6.00E-04 20 5.20E-08 -1.92E-08 5.14E-08 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 25 108.55 346.99 35.59 3.45E-04 20 2.90E-08 -6.84E-09 3.48E-08 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 30 108.6 350.5 44.64 1.64E-04 20 1.22E-08 -2.09E-09 2.00E-08 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 35 108.65 355.87 41.17 1.27E-04 20 1.01E-08 -7.48E-10 1.45E-08 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 40 108.7 1.85 40.46 1.20E-04 20 9.71E-09 3.20E-10 1.35E-08 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 45 108.75 353.52 38.28 1.39E-04 20 1.15E-08 -1.33E-09 1.49E-08 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 50 108.8 355.02 39.14 1.87E-04 20 1.53E-08 -1.36E-09 2.04E-08 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 55 108.85 345.12 32.64 2.59E-04 20 2.23E-08 -6.07E-09 2.42E-08 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 60 108.9 347.78 30.19 4.47E-04 20 4.01E-08 -8.88E-09 3.90E-08 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 65 108.95 351.04 31.22 7.22E-04 20 6.47E-08 -1.04E-08 6.49E-08 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 70 109 351.75 31 1.04E-03 20 9.34E-08 -1.38E-08 9.27E-08 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 75 109.05 344.17 35.58 7.88E-04 20 6.54E-08 -1.90E-08 7.95E-08 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 80 109.1 350.31 38.54 4.31E-04 20 3.53E-08 -6.16E-09 4.66E-08 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 85 109.15 354.87 32.65 3.50E-04 20 3.11E-08 -2.85E-09 3.27E-08 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 90 109.2 352.73 35.41 2.26E-04 20 1.94E-08 -2.53E-09 2.27E-08 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 95 109.25 349.68 43.6 1.15E-04 20 8.66E-09 -1.61E-09 1.37E-08 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 100 109.3 358.57 40.67 7.90E-05 20 6.36E-09 -1.62E-10 8.93E-09 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 105 109.35 7.7 48.21 6.63E-05 20 4.65E-09 6.42E-10 8.57E-09 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 110 109.4 152.86 42.65 1.06E-04 20 -7.37E-09 3.86E-09 1.25E-08 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 115 109.45 126.17 43.74 2.47E-04 20 -1.12E-08 1.56E-08 2.96E-08 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 120 109.5 29.9 42.64 9.16E-04 20 6.19E-08 3.64E-08 1.08E-07 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 125 109.55 337.5 38.93 2.12E-03 20 1.62E-07 -6.85E-08 2.31E-07 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 130 109.6 333.56 33.93 2.05E-03 20 1.62E-07 -8.23E-08 1.99E-07 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 135 109.65 307.28 7.1 8.80E-03 20 5.61E-07 -7.53E-07 1.89E-07 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 140 109.7 328.67 25.86 3.65E-03 20 2.97E-07 -1.85E-07 2.76E-07 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 145 109.75 53.64 57.64 9.69E-04 20 3.26E-08 4.53E-08 1.42E-07 03/12/97 Yes Yes 2127 172 1061 C 12 H 6 150 109.8 350.86 67.69 5.32E-04 20 2.12E-08 -3.48E-09 8.54E-08 03/12/97 Yes Yes 2127 172 1061 C 12 H 7 0 109.8 330.81 13.27 3.00E-04 20 2.71E-08 -1.55E-08 1.20E-08 03/12/97 Yes Yes 2129 172 1061 C 12 H 7 5 109.85 338.28 26.17 6.01E-04 20 5.31E-08 -2.16E-08 4.59E-08 03/12/97 Yes Yes 2129 172 1061 C 12 H 7 10 109.9 341.73 37.04 4.89E-04 20 3.93E-08 -1.33E-08 5.10E-08 03/12/97 Yes Yes 2129 172 1061 C 12 H 7 15 109.95 331.75 33.08 5.55E-04 20 4.34E-08 -2.39E-08 5.25E-08 03/12/97 Yes Yes 2129 172 1061 C 12 H 7 20 110 354.81 42.52 5.69E-04 20 4.43E-08 -4.11E-09 6.67E-08 03/12/97 Yes Yes 2129 172 1061 C 12 H 7 25 110.05 18.49 25.78 5.06E-04 20 4.59E-08 1.57E-08 3.82E-08 03/12/97 Yes Yes 2129 172 1061 C 12 H 7 30 110.1 337.2 29.99 5.20E-04 20 4.40E-08 -1.89E-08 4.50E-08 03/12/97 Yes Yes 2129 172 1061 C 12 H 7 35 110.15 346.4 36.59 5.01E-04 20 4.15E-08 -1.03E-08 5.18E-08 03/12/97 Yes Yes 2129 172 1061 C 12 H 7 40 110.2 337.96 38.42 5.34E-04 20 4.11E-08 -1.70E-08 5.75E-08 03/12/97 Yes Yes 2129 172 1061 C 12 H 7 45 110.25 343.28 36.75 4.81E-04 20 3.91E-08 -1.20E-08 4.99E-08 03/12/97 Yes Yes 2129 172 1061 C 12 H 7 50 110.3 354.9 32.51 5.25E-04 20 4.68E-08 -4.27E-09 4.89E-08 03/12/97 Yes Yes 2129 172 1061 C 12 H 7 55 110.35 355.57 34.71 6.00E-04 20 5.21E-08 -4.13E-09 5.92E-08 03/12/97 Yes Yes 2129 172 1061 C 12 H 7 60 110.4 352.07 38.83 6.79E-04 20 5.55E-08 -7.91E-09 7.38E-08 03/12/97 Yes Yes 2129 172 1061 C 12 H 7 65 110.45 352.61 38.11 8.61E-04 20 7.12E-08 -9.45E-09 9.21E-08 03/12/97 Yes Yes 2129 172 1061 C 12 H 7 70 110.5 346.44 40.08 8.27E-04 20 6.53E-08 -1.61E-08 9.23E-08 03/12/97 Yes Yes 2129 172 1061 C 12 H 7 75 110.55 349.19 36.65 8.63E-04 20 7.22E-08 -1.41E-08 8.93E-08 03/12/97 Yes Yes 2129 172 1061 C 12 H 7 80 110.6 353.45 35.16 8.89E-04 20 7.66E-08 -8.99E-09 8.88E-08 03/12/97 Yes Yes 2129 172 1061 C 13 H 1 0 110.3 345.34 38.03 2.59E-04 20 2.09E-08 -5.60E-09 2.77E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 1 5 110.35 334.06 37.75 5.62E-04 20 4.24E-08 -2.11E-08 5.96E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 1 10 110.4 321.44 44.88 5.73E-04 20 3.37E-08 -2.75E-08 7.02E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 1 15 110.45 319.75 44.74 5.59E-04 20 3.22E-08 -2.78E-08 6.82E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 1 20 110.5 307.76 34.63 4.79E-04 20 2.56E-08 -3.38E-08 4.72E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 1 25 110.55 328.1 23.83 5.71E-04 20 4.70E-08 -2.99E-08 4.00E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 1 30 110.6 321.19 34.88 5.20E-04 20 3.52E-08 -2.90E-08 5.15E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 1 35 110.65 321.93 36.57 4.35E-04 20 2.91E-08 -2.33E-08 4.49E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 1 40 110.7 325.72 30.4 4.18E-04 20 3.16E-08 -2.21E-08 3.67E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 1 45 110.75 321.77 29.02 4.54E-04 20 3.31E-08 -2.67E-08 3.82E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 1 50 110.8 325.78 27.39 5.67E-04 20 4.41E-08 -3.07E-08 4.52E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 1 55 110.85 330.97 32.6 5.85E-04 20 4.57E-08 -2.59E-08 5.46E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 1 60 110.9 325.92 33.47 5.39E-04 20 3.95E-08 -2.73E-08 5.16E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 1 65 110.95 316.72 31.36 6.36E-04 20 4.19E-08 -4.04E-08 5.74E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 1 70 111 328.41 38.52 6.07E-04 20 4.29E-08 -2.70E-08 6.55E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 1 75 111.05 328.08 36.72 5.75E-04 20 4.15E-08 -2.65E-08 5.96E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 1 80 111.1 325.04 31.15 6.20E-04 20 4.61E-08 -3.30E-08 5.56E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 1 85 111.15 325.62 35.09 5.60E-04 20 4.01E-08 -2.81E-08 5.58E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 1 90 111.2 329.51 37.92 4.51E-04 20 3.25E-08 -1.96E-08 4.80E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 1 95 111.25 334.43 34.79 4.80E-04 20 3.77E-08 -1.84E-08 4.74E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 1 100 111.3 341.73 36.38 5.31E-04 20 4.31E-08 -1.45E-08 5.46E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 1 105 111.35 342.48 40.8 5.24E-04 20 4.01E-08 -1.29E-08 5.93E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 1 110 111.4 338.93 41.18 5.12E-04 20 3.81E-08 -1.50E-08 5.84E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 1 115 111.45 340.53 40.41 5.20E-04 20 3.96E-08 -1.43E-08 5.84E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 1 120 111.5 342.47 41.18 4.93E-04 20 3.75E-08 -1.21E-08 5.63E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 1 125 111.55 341.34 38.03 5.70E-04 20 4.51E-08 -1.56E-08 6.09E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 1 130 111.6 350.7 40.8 5.74E-04 20 4.55E-08 -7.61E-09 6.50E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 1 135 111.65 352.33 42.74 5.43E-04 20 4.19E-08 -5.77E-09 6.39E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 1 140 111.7 345.97 40.56 5.64E-04 20 4.41E-08 -1.13E-08 6.35E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 1 145 111.75 345.78 37.05 6.28E-04 20 5.15E-08 -1.34E-08 6.56E-08 03/12/97 Yes Yes 2131 172 1061 C 13 H 2 0 111.8 3.07 31.25 3.41E-04 20 3.08E-08 1.69E-09 3.06E-08 03/12/97 Yes Yes 2133 172 1061 C 13 H 2 5 111.85 355.95 33.38 7.62E-04 20 6.73E-08 -4.88E-09 7.27E-08 03/12/97 Yes Yes 2133 172 1061 C 13 H 2 10 111.9 345.89 38.57 6.98E-04 20 5.62E-08 -1.44E-08 7.55E-08 03/12/97 Yes Yes 2133 172 1061 C 13 H 2 15 111.95 335.95 31.86 7.09E-04 20 5.83E-08 -2.66E-08 6.49E-08 03/12/97 Yes Yes 2133 172 1061 C 13 H 2 20 112 332.32 26.85 7.37E-04 20 6.17E-08 -3.31E-08 5.77E-08 03/12/97 Yes Yes 2133 172 1061 C 13 H 2 25 112.05 333.96 30.06 6.60E-04 20 5.45E-08 -2.72E-08 5.74E-08 03/12/97 Yes Yes 2133 172 1061 C 13 H 2 30 112.1 334.42 33.68 5.69E-04 20 4.53E-08 -2.22E-08 5.47E-08 03/12/97 Yes Yes 2133 172 1061 C 13 H 2 35 112.15 336.53 34.41 5.53E-04 20 4.44E-08 -1.97E-08 5.42E-08 03/12/97 Yes Yes 2133 172 1061 C 13 H 2 40 112.2 332.81 34.76 4.75E-04 20 3.68E-08 -1.93E-08 4.70E-08 03/12/97 Yes Yes 2133 172 1061 C 13 H 2 45 112.25 329.81 34.59 4.51E-04 20 3.40E-08 -2.02E-08 4.44E-08 03/12/97 Yes Yes 2133 172 1061 C 13 H 2 50 112.3 347.89 33.9 4.64E-04 20 3.99E-08 -8.76E-09 4.48E-08 03/12/97 Yes Yes 2133 172 1061 C 13 H 2 55 112.35 356.51 35.41 4.80E-04 20 4.14E-08 -2.58E-09 4.82E-08 03/12/97 Yes Yes 2133 172 1061 C 13 H 2 60 112.4 347.24 40.93 4.62E-04 20 3.61E-08 -8.37E-09 5.25E-08 03/12/97 Yes Yes 2133 172 1061 C 13 H 2 65 112.45 340.81 43.45 4.26E-04 20 3.09E-08 -1.10E-08 5.07E-08 03/12/97 Yes Yes 2133 172 1061 C 13 H 2 70 112.5 349.87 42.04 4.48E-04 20 3.47E-08 -6.34E-09 5.20E-08 03/12/97 Yes Yes 2133 172 1061 C 13 H 2 75 112.55 347.5 43.34 4.23E-04 20 3.19E-08 -7.22E-09 5.03E-08 03/12/97 Yes Yes 2133 172 1061 C 13 H 2 80 112.6 333.56 39.55 4.00E-04 20 2.93E-08 -1.49E-08 4.42E-08 03/12/97 Yes Yes 2133 172 1061 C 13 H 2 85 112.65 340.14 23.89 4.81E-04 20 4.39E-08 -1.62E-08 3.38E-08 03/12/97 Yes Yes 2133 172 1061 C 13 H 2 90 112.7 351.38 21.96 5.61E-04 20 5.46E-08 -8.46E-09 3.64E-08 03/12/97 Yes Yes 2133 172 1061 C 13 H 2 95 112.75 357.62 37.26 4.21E-04 20 3.55E-08 -1.51E-09 4.42E-08 03/12/97 Yes Yes 2133 172 1061 C 13 H 2 100 112.8 2.58 46.79 3.89E-04 20 2.82E-08 1.30E-09 4.91E-08 03/12/97 Yes Yes 2133 172 1061 C 13 H 2 105 112.85 357.06 43.79 4.00E-04 20 3.06E-08 -1.61E-09 4.80E-08 03/12/97 Yes Yes 2133 172 1061 C 13 H 2 110 112.9 0.48 42.38 4.14E-04 20 3.24E-08 2.78E-10 4.84E-08 03/12/97 Yes Yes 2133 172 1061 C 13 H 2 115 112.95 0.55 49.74 3.50E-04 20 2.40E-08 2.36E-10 4.63E-08 03/12/97 Yes Yes 2133 172 1061 C 13 H 2 120 113 351.3 48.72 3.13E-04 20 2.16E-08 -3.39E-09 4.08E-08 03/12/97 Yes Yes 2133 172 1061 C 13 H 2 125 113.05 350.21 46.03 2.88E-04 20 2.09E-08 -3.69E-09 3.59E-08 03/12/97 Yes Yes 2133 172 1061 C 13 H 2 130 113.1 347.6 36.03 2.87E-04 20 2.40E-08 -5.40E-09 2.93E-08 03/12/97 Yes Yes 2133 172 1061 C 13 H 2 135 113.15 303.05 32.52 3.52E-04 20 1.71E-08 -2.70E-08 3.28E-08 03/12/97 Yes Yes 2133 172 1061 C 13 H 2 140 113.2 342.22 44.64 2.51E-04 20 1.81E-08 -5.92E-09 3.06E-08 03/12/97 Yes Yes 2133 172 1061 C 13 H 3 0 113.23 0.64 37.68 1.20E-04 20 1.01E-08 1.16E-10 1.27E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 5 113.28 17.45 50.52 2.13E-04 20 1.37E-08 4.40E-09 2.85E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 10 113.33 349.37 47.85 2.31E-04 20 1.62E-08 -3.10E-09 2.97E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 15 113.38 343.48 35.03 3.69E-04 20 3.07E-08 -9.32E-09 3.67E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 20 113.43 348.6 33.79 5.23E-04 20 4.52E-08 -9.31E-09 5.04E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 25 113.48 0.64 49.16 4.47E-04 20 3.10E-08 3.53E-10 5.86E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 30 113.53 350.53 50.44 5.05E-04 20 3.36E-08 -5.74E-09 6.75E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 35 113.58 343.13 48.18 5.13E-04 20 3.47E-08 -1.08E-08 6.63E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 40 113.63 351.18 41.86 5.41E-04 20 4.22E-08 -6.70E-09 6.26E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 45 113.68 351.32 35.58 6.28E-04 20 5.36E-08 -8.36E-09 6.34E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 50 113.73 349.58 37.92 6.06E-04 20 4.99E-08 -9.38E-09 6.45E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 55 113.78 345.24 39.96 5.50E-04 20 4.32E-08 -1.16E-08 6.12E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 60 113.83 342.3 41.3 5.10E-04 20 3.87E-08 -1.26E-08 5.84E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 65 113.88 344.38 43.95 4.59E-04 20 3.38E-08 -9.65E-09 5.52E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 70 113.93 349.75 44.43 4.55E-04 20 3.39E-08 -6.27E-09 5.52E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 75 113.98 341.1 49.4 4.53E-04 20 2.96E-08 -1.04E-08 5.96E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 80 114.03 337.46 45.36 4.36E-04 20 3.00E-08 -1.28E-08 5.38E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 85 114.08 339.67 36.96 4.58E-04 20 3.64E-08 -1.38E-08 4.78E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 90 114.13 334.99 36.06 5.02E-04 20 3.90E-08 -1.86E-08 5.12E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 95 114.18 332.31 34.32 5.26E-04 20 4.08E-08 -2.19E-08 5.14E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 100 114.23 332.34 31.95 5.37E-04 20 4.28E-08 -2.30E-08 4.93E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 105 114.28 331.94 30.39 5.34E-04 20 4.31E-08 -2.35E-08 4.68E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 110 114.33 331.75 30.47 5.29E-04 20 4.26E-08 -2.34E-08 4.65E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 115 114.38 333.4 34.66 4.20E-04 20 3.27E-08 -1.68E-08 4.14E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 120 114.43 324.97 39.99 3.01E-04 20 2.01E-08 -1.44E-08 3.36E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 125 114.48 308.03 56.74 2.13E-04 20 7.63E-09 -9.97E-09 3.08E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 130 114.53 316.77 44.83 3.46E-04 20 1.89E-08 -1.82E-08 4.23E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 135 114.58 338.97 28.18 1.12E-03 20 9.80E-08 -3.85E-08 9.19E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 140 114.63 339.53 35.34 1.42E-03 20 1.15E-07 -4.41E-08 1.43E-07 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 145 114.68 332.75 45.8 7.87E-04 20 5.17E-08 -2.72E-08 9.78E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 3 150 114.73 344.48 60.07 3.29E-04 20 1.68E-08 -4.76E-09 4.94E-08 03/12/97 Yes Yes 2135 172 1061 C 13 H 4 0 114.73 356.89 45.34 2.41E-04 20 1.79E-08 -9.94E-10 2.97E-08 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 5 114.78 341.26 40.34 5.87E-04 20 4.50E-08 -1.56E-08 6.59E-08 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 10 114.83 343.99 42.9 6.13E-04 20 4.58E-08 -1.34E-08 7.24E-08 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 15 114.88 349.51 44.05 5.81E-04 20 4.36E-08 -8.25E-09 7.01E-08 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 20 114.93 346.43 45.09 5.22E-04 20 3.80E-08 -9.38E-09 6.41E-08 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 25 114.98 347.96 45.34 4.74E-04 20 3.46E-08 -7.54E-09 5.84E-08 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 30 115.03 342.44 46.43 4.14E-04 20 2.89E-08 -9.35E-09 5.21E-08 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 35 115.08 336.49 46.83 3.39E-04 20 2.25E-08 -1.00E-08 4.28E-08 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 40 115.13 336.82 43.85 2.80E-04 20 1.97E-08 -8.63E-09 3.37E-08 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 45 115.18 337.62 38.48 2.96E-04 20 2.27E-08 -9.57E-09 3.19E-08 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 50 115.23 333.16 46.11 2.87E-04 20 1.89E-08 -9.75E-09 3.59E-08 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 55 115.28 334.34 40.98 3.37E-04 20 2.43E-08 -1.20E-08 3.83E-08 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 60 115.33 333.45 42.26 3.72E-04 20 2.61E-08 -1.33E-08 4.33E-08 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 65 115.38 331.9 50.07 3.09E-04 20 1.86E-08 -1.01E-08 4.11E-08 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 70 115.43 335.87 54.31 2.54E-04 20 1.43E-08 -6.56E-09 3.57E-08 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 75 115.48 332.4 45.47 2.72E-04 20 1.79E-08 -9.58E-09 3.36E-08 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 80 115.53 328.68 42.31 3.15E-04 20 2.11E-08 -1.31E-08 3.67E-08 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 85 115.58 333.8 43.76 3.19E-04 20 2.19E-08 -1.10E-08 3.82E-08 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 90 115.63 331.57 39.44 4.54E-04 20 3.27E-08 -1.81E-08 5.00E-08 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 95 115.68 332.67 44.56 6.16E-04 20 4.13E-08 -2.18E-08 7.49E-08 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 100 115.73 328.29 65.24 3.44E-04 20 1.30E-08 -8.22E-09 5.42E-08 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 105 115.78 319.24 69.78 1.87E-04 20 5.20E-09 -4.58E-09 3.05E-08 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 110 115.83 334.91 52.68 2.00E-04 20 1.16E-08 -5.58E-09 2.76E-08 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 115 115.88 5.36 56.66 1.93E-04 20 1.12E-08 1.07E-09 2.79E-08 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 120 115.93 356.8 59.72 1.79E-04 20 9.54E-09 -5.46E-10 2.68E-08 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 125 115.98 352.76 53.47 2.12E-04 20 1.33E-08 -1.73E-09 2.96E-08 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 130 116.03 343.85 60.5 2.25E-04 20 1.13E-08 -3.34E-09 3.40E-08 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 135 116.08 349.06 64.56 2.79E-04 20 1.25E-08 -2.47E-09 4.37E-08 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 140 116.13 340.07 55.46 4.83E-04 20 2.73E-08 -1.01E-08 6.89E-08 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 145 116.18 329.38 29.81 1.44E-03 20 1.14E-07 -6.89E-08 1.24E-07 03/12/97 Yes Yes 2137 172 1061 C 13 H 4 150 116.23 326.28 34.41 1.41E-03 20 1.02E-07 -6.99E-08 1.38E-07 03/12/97 Yes Yes 2137 172 1061 C 13 H 5 0 116.23 330.37 61.27 2.35E-03 20 1.04E-07 -6.07E-08 3.58E-07 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 5 116.28 328.33 25.06 1.78E-02 20 1.46E-06 -9.18E-07 1.31E-06 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 10 116.33 333.26 29 2.70E-02 20 2.24E-06 -1.15E-06 2.27E-06 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 15 116.38 330.74 46.28 1.26E-02 20 8.09E-07 -4.63E-07 1.58E-06 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 20 116.43 169.63 65.93 2.92E-03 20 -1.24E-07 2.32E-08 4.62E-07 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 25 116.48 147.12 59.32 1.13E-03 20 -5.12E-08 3.38E-08 1.68E-07 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 30 116.53 333.16 42.76 1.27E-03 20 8.80E-08 -4.55E-08 1.49E-07 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 35 116.58 329.22 31.43 1.52E-03 20 1.18E-07 -7.19E-08 1.37E-07 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 40 116.63 326.28 41 7.63E-04 20 5.08E-08 -3.47E-08 8.68E-08 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 45 116.68 332.84 51.01 4.00E-04 20 2.38E-08 -1.25E-08 5.40E-08 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 50 116.73 336.4 42.67 4.21E-04 20 3.01E-08 -1.34E-08 4.94E-08 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 55 116.78 337.82 37.89 4.68E-04 20 3.62E-08 -1.51E-08 4.98E-08 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 60 116.83 343.02 38.73 5.42E-04 20 4.29E-08 -1.34E-08 5.88E-08 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 65 116.88 347.2 37.79 6.72E-04 20 5.50E-08 -1.28E-08 7.14E-08 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 70 116.93 343.03 35.94 7.84E-04 20 6.44E-08 -2.01E-08 7.97E-08 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 75 116.98 337.07 37.31 7.68E-04 20 5.97E-08 -2.58E-08 8.07E-08 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 80 117.03 337.79 37.78 6.80E-04 20 5.28E-08 -2.20E-08 7.22E-08 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 85 117.08 341.16 37.13 6.15E-04 20 4.92E-08 -1.72E-08 6.43E-08 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 90 117.13 340.47 34.21 5.23E-04 20 4.33E-08 -1.57E-08 5.10E-08 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 95 117.18 347.2 39.09 3.88E-04 20 3.11E-08 -7.23E-09 4.24E-08 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 100 117.23 350.95 36.83 2.75E-04 20 2.30E-08 -3.75E-09 2.86E-08 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 105 117.28 358.63 33.56 2.53E-04 20 2.24E-08 -5.46E-10 2.43E-08 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 110 117.33 6.09 41.29 1.93E-04 20 1.53E-08 1.67E-09 2.21E-08 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 115 117.38 350.21 32.82 2.64E-04 20 2.32E-08 -4.09E-09 2.48E-08 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 120 117.43 326.84 30.39 4.16E-04 20 3.18E-08 -2.13E-08 3.65E-08 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 125 117.48 314.79 30.58 2.34E-04 20 1.51E-08 -1.55E-08 2.07E-08 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 130 117.53 20.52 36.68 2.52E-04 20 2.01E-08 7.68E-09 2.61E-08 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 135 117.58 349.24 52.93 2.21E-04 20 1.39E-08 -2.70E-09 3.06E-08 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 140 117.63 4.4 47.04 3.33E-04 20 2.40E-08 1.89E-09 4.23E-08 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 145 117.68 343.49 33.71 6.49E-04 20 5.49E-08 -1.66E-08 6.24E-08 03/12/97 Yes Yes 2139 172 1061 C 13 H 5 150 117.73 339.99 41.38 4.53E-04 20 3.39E-08 -1.26E-08 5.19E-08 03/12/97 Yes Yes 2139 172 1061 C 13 H 6 0 117.73 337.98 20.36 3.41E-04 20 3.15E-08 -1.30E-08 2.06E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 5 117.78 336.3 33.28 3.98E-04 20 3.23E-08 -1.45E-08 3.78E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 10 117.83 322.64 35.99 3.08E-04 20 2.10E-08 -1.64E-08 3.14E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 15 117.88 312.79 23.71 3.42E-04 20 2.26E-08 -2.50E-08 2.39E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 20 117.93 316.31 24.33 3.21E-04 20 2.24E-08 -2.19E-08 2.29E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 25 117.98 325.97 24.83 3.07E-04 20 2.45E-08 -1.69E-08 2.23E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 30 118.03 333.58 24.88 2.79E-04 20 2.40E-08 -1.22E-08 2.03E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 35 118.08 333.07 20.63 2.91E-04 20 2.57E-08 -1.34E-08 1.78E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 40 118.13 330.59 19.77 2.84E-04 20 2.47E-08 -1.43E-08 1.67E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 45 118.18 333.6 26.13 2.30E-04 20 1.96E-08 -9.96E-09 1.76E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 50 118.23 348.29 40.27 1.61E-04 20 1.27E-08 -2.70E-09 1.80E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 55 118.28 340.83 37.98 1.80E-04 20 1.42E-08 -5.05E-09 1.92E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 60 118.33 332.7 42.75 1.78E-04 20 1.23E-08 -6.49E-09 2.09E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 65 118.38 335.8 40.65 1.44E-04 20 1.06E-08 -4.85E-09 1.62E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 70 118.43 1.26 43.18 1.66E-04 20 1.29E-08 2.90E-10 1.97E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 75 118.48 338.01 49.31 1.95E-04 20 1.25E-08 -5.17E-09 2.57E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 80 118.53 326.72 48 2.13E-04 20 1.27E-08 -8.50E-09 2.75E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 85 118.58 325.96 53.5 1.90E-04 20 9.92E-09 -6.85E-09 2.64E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 90 118.63 319.49 50.18 2.36E-04 20 1.22E-08 -1.06E-08 3.14E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 95 118.68 329.04 56.25 2.71E-04 20 1.37E-08 -8.41E-09 3.91E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 100 118.73 316.77 58.96 2.72E-04 20 1.09E-08 -1.04E-08 4.05E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 105 118.78 295.45 55.46 2.74E-04 20 7.09E-09 -1.52E-08 3.92E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 110 118.83 311.34 62.19 2.39E-04 20 7.81E-09 -9.08E-09 3.66E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 115 118.88 323.77 64.74 2.44E-04 20 8.91E-09 -6.67E-09 3.82E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 120 118.93 320.16 56.99 3.09E-04 20 1.37E-08 -1.17E-08 4.49E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 125 118.98 316.58 51.82 3.75E-04 20 1.78E-08 -1.73E-08 5.10E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 130 119.03 314.51 50.87 3.53E-04 20 1.66E-08 -1.72E-08 4.75E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 135 119.08 321.49 49.38 2.49E-04 20 1.34E-08 -1.09E-08 3.27E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 140 119.13 334.47 37.75 2.54E-04 20 1.92E-08 -9.39E-09 2.70E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 145 119.18 343.64 39.93 2.80E-04 20 2.18E-08 -6.55E-09 3.11E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 6 150 119.23 8.49 54.17 1.54E-04 20 9.49E-09 1.45E-09 2.17E-08 03/12/97 Yes Yes 2141 172 1061 C 13 H 7 0 119.23 1.58 37.56 2.30E-04 20 1.93E-08 5.45E-10 2.43E-08 03/12/97 Yes Yes 2143 172 1061 C 13 H 7 5 119.28 358.24 36.11 5.37E-04 20 4.60E-08 -1.44E-09 5.49E-08 03/12/97 Yes Yes 2143 172 1061 C 13 H 7 10 119.33 352.2 46.93 5.11E-04 20 3.67E-08 -5.14E-09 6.47E-08 03/12/97 Yes Yes 2143 172 1061 C 13 H 7 15 119.38 353.88 48.87 5.02E-04 20 3.48E-08 -3.81E-09 6.55E-08 03/12/97 Yes Yes 2143 172 1061 C 13 H 7 20 119.43 348.73 52.38 4.67E-04 20 2.96E-08 -6.04E-09 6.41E-08 03/12/97 Yes Yes 2143 172 1061 C 13 H 7 25 119.48 334.16 62.53 3.82E-04 20 1.68E-08 -8.33E-09 5.87E-08 03/12/97 Yes Yes 2143 172 1061 C 13 H 7 30 119.53 318.47 60.92 3.49E-04 20 1.35E-08 -1.22E-08 5.29E-08 03/12/97 Yes Yes 2143 172 1061 C 13 H 7 35 119.58 325.53 53.82 3.63E-04 20 1.87E-08 -1.31E-08 5.08E-08 03/12/97 Yes Yes 2143 172 1061 C 13 H 7 40 119.63 316.87 56.12 3.34E-04 20 1.44E-08 -1.38E-08 4.81E-08 03/12/97 Yes Yes 2143 172 1061 C 13 H 7 45 119.68 304.84 55.23 3.10E-04 20 1.07E-08 -1.57E-08 4.42E-08 03/12/97 Yes Yes 2143 172 1061 C 13 H 7 50 119.73 314.98 53.9 3.58E-04 20 1.58E-08 -1.62E-08 5.01E-08 03/12/97 Yes Yes 2143 172 1061 C 13 H 7 55 119.78 330.11 37.58 5.03E-04 20 3.67E-08 -2.15E-08 5.32E-08 03/12/97 Yes Yes 2143 172 1061 C 13 H 7 60 119.83 345.23 33.67 6.51E-04 20 5.56E-08 -1.50E-08 6.25E-08 03/12/97 Yes Yes 2143 172 1061 C 13 H 7 65 119.88 350.83 43.67 6.52E-04 20 4.94E-08 -8.15E-09 7.81E-08 03/12/97 Yes Yes 2143 172 1061 C 13 H 7 70 119.93 314.21 81.22 4.49E-04 20 5.07E-09 -5.33E-09 7.69E-08 03/12/97 Yes Yes 2143 172 1061 C 13 H 7 75 119.98 179.1 60.66 1.70E-04 20 -8.84E-09 1.41E-10 2.57E-08 03/12/97 Yes Yes 2143 172 1061 C 13 H 7 80 120.03 186.96 12.86 4.11E-05 20 -4.22E-09 -5.27E-10 1.59E-09 03/12/97 Yes Yes 2143 172 1061 C 14 H 1 0 119.8 51.19 63.5 1.19E-04 20 3.53E-09 4.49E-09 1.85E-08 03/12/97 Yes Yes 2145 172 1061 C 14 H 1 5 119.85 115.88 68.47 2.01E-04 20 -3.41E-09 7.20E-09 3.24E-08 03/12/97 Yes Yes 2145 172 1061 C 14 H 1 10 119.9 108.72 65.59 1.99E-04 20 -2.81E-09 8.47E-09 3.15E-08 03/12/97 Yes Yes 2145 172 1061 C 14 H 1 15 119.95 94.98 63.27 1.85E-04 20 -7.67E-10 8.99E-09 2.87E-08 03/12/97 Yes Yes 2145 172 1061 C 14 H 1 20 120 88.68 52.93 2.25E-04 20 3.30E-10 1.47E-08 3.11E-08 03/12/97 Yes Yes 2145 172 1061 C 14 H 1 25 120.05 90.12 49.21 2.43E-04 20 -3.39E-11 1.72E-08 3.19E-08 03/12/97 Yes Yes 2145 172 1061 C 14 H 1 30 120.1 70.94 57.24 2.12E-04 20 3.97E-09 1.18E-08 3.09E-08 03/12/97 Yes Yes 2145 172 1061 C 14 H 1 35 120.15 75.53 55.02 2.12E-04 20 3.22E-09 1.28E-08 3.01E-08 03/12/97 Yes Yes 2145 172 1061 C 14 H 1 40 120.2 98.07 44.35 1.83E-04 20 -1.95E-09 1.41E-08 2.22E-08 03/12/97 Yes Yes 2145 172 1061 C 14 H 1 45 120.25 89.79 53.46 1.22E-04 20 2.78E-11 7.88E-09 1.70E-08 03/12/97 Yes Yes 2145 172 1061 C 14 H 1 50 120.3 95.77 49.2 1.65E-04 20 -1.15E-09 1.16E-08 2.16E-08 03/12/97 Yes Yes 2145 172 1061 C 14 H 1 55 120.35 105.81 47.89 2.02E-04 20 -3.91E-09 1.41E-08 2.60E-08 03/12/97 Yes Yes 2145 172 1061 C 14 H 1 60 120.4 95.14 45.64 2.22E-04 20 -1.47E-09 1.68E-08 2.75E-08 03/12/97 Yes Yes 2145 172 1061 C 14 H 1 65 120.45 104.29 44.49 2.61E-04 20 -4.87E-09 1.96E-08 3.17E-08 03/12/97 Yes Yes 2145 172 1061 C 14 H 1 70 120.5 96.04 52.66 2.02E-04 20 -1.37E-09 1.32E-08 2.79E-08 03/12/97 Yes Yes 2145 172 1061 C 14 H 1 75 120.55 89.79 58.34 1.75E-04 20 3.50E-11 9.97E-09 2.59E-08 03/12/97 Yes Yes 2145 172 1061 C 14 H 1 80 120.6 102.49 64.7 1.57E-04 20 -1.54E-09 7.11E-09 2.46E-08 03/12/97 Yes Yes 2145 172 1061 C 14 H 2 0 121.3 69.93 61.27 6.57E-05 20 1.15E-09 3.22E-09 9.99E-09 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 5 121.35 90.15 46.2 1.72E-04 20 -3.27E-11 1.29E-08 2.15E-08 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 10 121.4 93.01 39.07 2.06E-04 20 -8.88E-10 1.73E-08 2.25E-08 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 15 121.45 67.6 47.2 1.57E-04 20 4.32E-09 1.07E-08 2.00E-08 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 20 121.5 185.04 19.58 1.64E-04 20 -1.63E-08 -1.47E-09 9.53E-09 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 25 121.55 49.51 -31.33 3.21E-05 20 1.89E-09 2.26E-09 -2.89E-09 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 30 121.6 58.38 47.14 1.62E-04 20 6.11E-09 1.02E-08 2.05E-08 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 35 121.65 88.19 59.49 2.09E-04 20 3.56E-10 1.15E-08 3.12E-08 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 40 121.7 74.04 52 2.47E-04 20 4.44E-09 1.59E-08 3.38E-08 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 45 121.75 66.59 43.76 3.07E-04 20 9.34E-09 2.21E-08 3.68E-08 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 50 121.8 91.19 46.51 3.27E-04 20 -4.94E-10 2.44E-08 4.11E-08 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 55 121.85 105.75 48.21 2.44E-04 20 -4.67E-09 1.69E-08 3.15E-08 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 60 121.9 86.31 42.89 2.51E-04 20 1.25E-09 1.99E-08 2.96E-08 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 65 121.95 91.31 33.21 3.43E-04 20 -6.94E-10 3.11E-08 3.26E-08 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 70 122 93.94 35.56 3.80E-04 20 -2.25E-09 3.34E-08 3.83E-08 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 75 122.05 88.89 39.02 3.50E-04 20 5.58E-10 2.95E-08 3.83E-08 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 80 122.1 76.88 44.2 2.92E-04 20 5.04E-09 2.21E-08 3.53E-08 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 85 122.15 84.35 42.46 3.12E-04 20 2.41E-09 2.49E-08 3.66E-08 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 90 122.2 76.63 53.07 3.01E-04 20 4.43E-09 1.91E-08 4.16E-08 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 95 122.25 79.28 60.45 3.12E-04 20 3.03E-09 1.64E-08 4.70E-08 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 100 122.3 87.22 61.45 3.37E-04 20 8.30E-10 1.75E-08 5.13E-08 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 105 122.35 86.97 58.34 3.55E-04 20 1.04E-09 2.02E-08 5.23E-08 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 110 122.4 79.61 60.19 3.27E-04 20 3.11E-09 1.73E-08 4.91E-08 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 115 122.45 69.38 62.16 2.49E-04 20 4.34E-09 1.18E-08 3.81E-08 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 120 122.5 68.42 62.14 1.84E-04 20 3.36E-09 8.69E-09 2.83E-08 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 125 122.55 78.46 65.38 1.48E-04 20 1.31E-09 6.54E-09 2.33E-08 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 130 122.6 87.26 60.98 1.22E-04 20 3.00E-10 6.40E-09 1.85E-08 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 135 122.65 80.93 55.93 1.29E-04 20 1.21E-09 7.75E-09 1.86E-08 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 140 122.7 79.11 52.52 1.41E-04 20 1.72E-09 9.15E-09 1.94E-08 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 145 122.75 81.35 51.35 1.27E-04 20 1.27E-09 8.52E-09 1.72E-08 03/12/97 Yes Yes 2147 172 1061 C 14 H 2 150 122.8 84.8 65.13 6.15E-05 20 2.49E-10 2.79E-09 9.68E-09 03/12/97 Yes Yes 2147 172 1061 C 14 H 1 0 119.8 44.46 65.91 1.10E-04 20 3.40E-09 3.41E-09 1.74E-08 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 5 119.85 114.22 68.39 1.91E-04 20 -3.07E-09 6.97E-09 3.09E-08 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 10 119.9 106.44 64.98 1.93E-04 20 -2.45E-09 8.48E-09 3.03E-08 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 15 119.95 94.55 60.82 1.82E-04 20 -7.48E-10 9.60E-09 2.76E-08 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 20 120 86.88 52.16 2.16E-04 20 7.66E-10 1.44E-08 2.96E-08 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 25 120.05 87.6 47.97 2.36E-04 20 7.02E-10 1.71E-08 3.04E-08 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 30 120.1 71.83 54.98 2.08E-04 20 3.94E-09 1.23E-08 2.95E-08 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 35 120.15 77.34 53.02 1.95E-04 20 2.73E-09 1.24E-08 2.70E-08 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 40 120.2 95.53 44.39 1.67E-04 20 -1.22E-09 1.29E-08 2.03E-08 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 45 120.25 88.16 51.64 1.17E-04 20 2.47E-10 7.86E-09 1.59E-08 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 50 120.3 95.29 48.59 1.60E-04 20 -1.03E-09 1.14E-08 2.08E-08 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 55 120.35 105.15 47.34 1.94E-04 20 -3.65E-09 1.38E-08 2.48E-08 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 60 120.4 94.97 45.15 2.15E-04 20 -1.39E-09 1.64E-08 2.64E-08 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 65 120.45 103.16 43.96 2.55E-04 20 -4.43E-09 1.94E-08 3.06E-08 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 70 120.5 98.24 51.98 1.97E-04 20 -1.84E-09 1.30E-08 2.68E-08 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 75 120.55 91.71 57.48 1.70E-04 20 -2.88E-10 9.89E-09 2.48E-08 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 80 120.6 100.4 64.07 1.51E-04 20 -1.27E-09 7.05E-09 2.36E-08 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 85 120.65 114.24 62.4 1.55E-04 20 -3.12E-09 7.09E-09 2.38E-08 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 90 120.7 115.69 58.21 1.66E-04 20 -4.01E-09 8.53E-09 2.44E-08 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 95 120.75 107.79 46.83 1.96E-04 20 -4.35E-09 1.39E-08 2.48E-08 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 100 120.8 77.06 34.76 2.85E-04 20 5.57E-09 2.48E-08 2.82E-08 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 105 120.85 110.83 56.24 2.41E-04 20 -5.06E-09 1.36E-08 3.48E-08 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 110 120.9 99.56 70.95 1.37E-04 20 -7.86E-10 4.77E-09 2.24E-08 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 115 120.95 168.03 72.22 1.96E-04 20 -6.22E-09 1.35E-09 3.24E-08 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 120 121 18.45 46.58 1.76E-04 20 1.22E-08 4.14E-09 2.21E-08 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 125 121.05 352.45 3.53 7.17E-04 20 7.52E-08 -1.02E-08 7.64E-09 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 130 121.1 47.02 25.18 2.06E-04 20 1.35E-08 1.48E-08 1.52E-08 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 135 121.15 125.43 41.46 1.88E-04 20 -8.64E-09 1.24E-08 2.15E-08 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 140 121.2 119.92 48.64 1.83E-04 20 -6.41E-09 1.14E-08 2.39E-08 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 145 121.25 89.97 27.22 2.29E-04 20 1.01E-11 2.21E-08 1.82E-08 03/12/97 Yes Yes 2148 172 1061 C 14 H 1 150 121.3 61 24.64 1.35E-04 20 6.31E-09 1.16E-08 9.75E-09 03/12/97 Yes Yes 2148 172 1061 C 14 H 3 0 122.8 93.53 43.04 6.23E-05 20 -2.98E-10 4.93E-09 7.37E-09 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 5 122.85 105.87 73.89 7.46E-05 20 -6.00E-10 2.16E-09 1.24E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 10 122.9 77.3 72.11 8.93E-05 20 6.40E-10 2.90E-09 1.47E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 15 122.95 76.73 61.59 1.36E-04 20 1.57E-09 6.83E-09 2.07E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 20 123 91.98 57.02 1.70E-04 20 -3.39E-10 1.00E-08 2.48E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 25 123.05 77.48 50.25 2.42E-04 20 3.55E-09 1.64E-08 3.22E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 30 123.1 78.49 42.08 3.92E-04 20 6.15E-09 3.09E-08 4.55E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 35 123.15 81 41.47 4.17E-04 20 5.18E-09 3.35E-08 4.79E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 40 123.2 86.98 46.03 3.32E-04 20 1.29E-09 2.50E-08 4.15E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 45 123.25 86.1 51.99 2.45E-04 20 1.09E-09 1.63E-08 3.34E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 50 123.3 79.59 49.06 2.40E-04 20 3.02E-09 1.68E-08 3.15E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 55 123.35 75.43 49.7 2.37E-04 20 4.09E-09 1.61E-08 3.14E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 60 123.4 75.99 46.79 2.53E-04 20 4.45E-09 1.82E-08 3.20E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 65 123.45 75.06 44.57 2.62E-04 20 5.10E-09 1.95E-08 3.18E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 70 123.5 71.82 46.97 2.42E-04 20 5.46E-09 1.70E-08 3.07E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 75 123.55 69.84 48.96 2.34E-04 20 5.62E-09 1.56E-08 3.06E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 80 123.6 69.76 45.72 2.45E-04 20 6.27E-09 1.74E-08 3.04E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 85 123.65 70.36 45.32 2.56E-04 20 6.41E-09 1.84E-08 3.15E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 90 123.7 65.38 45.9 2.41E-04 20 7.41E-09 1.65E-08 3.00E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 95 123.75 63.08 47.1 2.40E-04 20 7.85E-09 1.58E-08 3.05E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 100 123.8 75.25 48 2.45E-04 20 4.43E-09 1.72E-08 3.16E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 105 123.85 82.65 46.98 2.37E-04 20 2.19E-09 1.74E-08 3.00E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 110 123.9 75.77 48.13 2.28E-04 20 3.98E-09 1.60E-08 2.95E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 115 123.95 75.09 48.43 2.19E-04 20 3.97E-09 1.52E-08 2.84E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 120 124 75.44 48.71 2.06E-04 20 3.63E-09 1.43E-08 2.69E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 125 124.05 70.82 47.66 2.13E-04 20 5.00E-09 1.47E-08 2.73E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 130 124.1 69.05 55.22 1.84E-04 20 3.97E-09 1.06E-08 2.62E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 135 124.15 59.32 62.49 1.51E-04 20 3.78E-09 6.52E-09 2.33E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 140 124.2 63.86 47.21 1.82E-04 20 5.79E-09 1.21E-08 2.32E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 145 124.25 72.42 39.39 1.91E-04 20 4.74E-09 1.53E-08 2.11E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 3 150 124.3 91.42 43.81 1.13E-04 20 -2.15E-10 8.88E-09 1.36E-08 03/12/97 Yes Yes 2150 172 1061 C 14 H 4 0 124.3 51.8 48.98 6.69E-05 20 2.88E-09 3.74E-09 8.75E-09 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 5 124.35 83.87 43.53 1.65E-04 20 1.36E-09 1.29E-08 1.97E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 10 124.4 102.91 45.79 2.01E-04 20 -3.33E-09 1.48E-08 2.50E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 15 124.45 91.43 50.02 2.02E-04 20 -3.44E-10 1.41E-08 2.69E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 20 124.5 62.35 65.21 2.04E-04 20 4.22E-09 8.23E-09 3.22E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 25 124.55 50.31 65.34 2.02E-04 20 5.71E-09 7.04E-09 3.19E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 30 124.6 58.65 58.61 1.95E-04 20 5.60E-09 9.40E-09 2.88E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 35 124.65 59.94 53.45 2.00E-04 20 6.32E-09 1.12E-08 2.78E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 40 124.7 71.01 56.97 1.90E-04 20 3.57E-09 1.06E-08 2.76E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 45 124.75 64.24 54.74 1.83E-04 20 4.87E-09 1.03E-08 2.59E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 50 124.8 63.51 50.39 1.83E-04 20 5.52E-09 1.13E-08 2.44E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 55 124.85 72.78 51.04 1.60E-04 20 3.16E-09 1.04E-08 2.16E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 60 124.9 107.34 49.05 2.14E-04 20 -4.43E-09 1.45E-08 2.80E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 65 124.95 119.82 46.54 2.78E-04 20 -1.01E-08 1.80E-08 3.50E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 70 125 106.46 59.46 2.80E-04 20 -4.27E-09 1.48E-08 4.17E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 75 125.05 104.63 66.31 2.48E-04 20 -2.67E-09 1.05E-08 3.94E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 80 125.1 72.36 67.59 2.23E-04 20 2.73E-09 8.79E-09 3.58E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 85 125.15 84.82 66.77 2.29E-04 20 8.64E-10 9.76E-09 3.65E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 90 125.2 66.54 62.35 2.01E-04 20 3.93E-09 9.27E-09 3.08E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 95 125.25 59.05 55.68 1.98E-04 20 6.08E-09 1.04E-08 2.83E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 100 125.3 68.99 48.66 2.19E-04 20 5.49E-09 1.46E-08 2.85E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 105 125.35 62.12 48.49 1.98E-04 20 6.50E-09 1.26E-08 2.57E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 110 125.4 48.5 55.99 1.87E-04 20 7.34E-09 8.48E-09 2.68E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 115 125.45 66.63 60.61 1.66E-04 20 3.43E-09 8.11E-09 2.51E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 120 125.5 67.59 69.11 1.40E-04 20 2.02E-09 5.01E-09 2.27E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 125 125.55 81.64 65.84 1.28E-04 20 8.08E-10 5.63E-09 2.03E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 130 125.6 75.7 53.71 1.61E-04 20 2.50E-09 1.00E-08 2.25E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 135 125.65 81.25 52.15 2.04E-04 20 2.02E-09 1.34E-08 2.80E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 140 125.7 85.35 49.16 2.26E-04 20 1.27E-09 1.60E-08 2.96E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 145 125.75 85.73 38.93 2.66E-04 20 1.63E-09 2.24E-08 2.90E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 4 150 125.8 97.52 33.24 2.11E-04 20 -2.44E-09 1.89E-08 2.00E-08 03/12/97 Yes Yes 2152 172 1061 C 14 H 5 0 125.8 77.44 39.12 9.58E-05 20 1.72E-09 7.87E-09 1.05E-08 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 5 125.85 89.01 26.7 2.82E-04 20 4.59E-10 2.73E-08 2.19E-08 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 10 125.9 95.55 26.73 3.27E-04 20 -3.00E-09 3.15E-08 2.55E-08 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 15 125.95 98.13 26.57 3.59E-04 20 -4.81E-09 3.44E-08 2.78E-08 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 20 126 103.87 33.45 2.96E-04 20 -6.28E-09 2.60E-08 2.83E-08 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 25 126.05 105.26 43.57 2.21E-04 20 -4.46E-09 1.67E-08 2.63E-08 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 30 126.1 83.09 52.73 1.76E-04 20 1.36E-09 1.14E-08 2.42E-08 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 35 126.15 73.36 47.71 2.17E-04 20 4.44E-09 1.52E-08 2.78E-08 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 40 126.2 79.26 43.45 2.84E-04 20 4.07E-09 2.19E-08 3.38E-08 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 45 126.25 81.05 40.47 3.21E-04 20 4.03E-09 2.62E-08 3.61E-08 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 50 126.3 85.21 40.77 3.42E-04 20 2.29E-09 2.80E-08 3.87E-08 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 55 126.35 95.96 43.25 3.28E-04 20 -2.63E-09 2.58E-08 3.90E-08 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 60 126.4 84.44 44.19 3.07E-04 20 2.26E-09 2.37E-08 3.71E-08 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 65 126.45 81.26 49.52 2.55E-04 20 2.67E-09 1.78E-08 3.36E-08 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 70 126.5 88.96 57.94 2.23E-04 20 2.27E-10 1.28E-08 3.28E-08 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 75 126.55 79.08 46.87 2.60E-04 20 3.58E-09 1.90E-08 3.29E-08 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 80 126.6 83.42 41.88 2.88E-04 20 2.60E-09 2.31E-08 3.33E-08 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 85 126.65 89.16 40.68 2.77E-04 20 3.28E-10 2.28E-08 3.13E-08 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 90 126.7 87.56 41.93 2.33E-04 20 7.81E-10 1.87E-08 2.69E-08 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 95 126.75 80.52 47.26 1.81E-04 20 2.14E-09 1.31E-08 2.30E-08 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 100 126.8 81.26 47.52 1.45E-04 20 1.58E-09 1.05E-08 1.86E-08 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 105 126.85 84.48 46.31 1.27E-04 20 8.97E-10 9.48E-09 1.59E-08 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 110 126.9 91.68 48.43 1.06E-04 20 -2.19E-10 7.64E-09 1.38E-08 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 115 126.95 92.69 53.42 8.05E-05 20 -2.39E-10 5.19E-09 1.12E-08 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 120 127 83.51 54.33 6.93E-05 20 4.84E-10 4.35E-09 9.76E-09 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 125 127.05 86.61 44.07 7.05E-05 20 3.18E-10 5.48E-09 8.50E-09 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 130 127.1 73.88 25.42 1.10E-04 20 2.91E-09 1.03E-08 8.15E-09 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 135 127.15 42.24 28.57 1.89E-04 20 1.30E-08 1.21E-08 1.57E-08 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 140 127.2 250.2 24.66 7.38E-04 20 -2.41E-08 -6.84E-08 5.34E-08 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 145 127.25 224.55 10.95 9.66E-04 20 -7.17E-08 -7.22E-08 3.18E-08 03/12/97 Yes Yes 2154 172 1061 C 14 H 5 150 127.3 78.03 20.78 1.55E-04 20 3.18E-09 1.53E-08 9.52E-09 03/12/97 Yes Yes 2154 172 1061 C 14 H 6 0 127.3 54.46 57.45 6.29E-05 20 2.09E-09 2.99E-09 9.19E-09 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 5 127.35 79.74 40.67 1.45E-04 20 2.07E-09 1.17E-08 1.64E-08 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 10 127.4 81.08 40.69 1.59E-04 20 1.98E-09 1.29E-08 1.79E-08 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 15 127.45 78.92 43.56 1.26E-04 20 1.86E-09 9.73E-09 1.51E-08 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 20 127.5 76.33 46.75 1.05E-04 20 1.80E-09 7.57E-09 1.32E-08 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 25 127.55 83.23 48.58 9.42E-05 20 7.78E-10 6.71E-09 1.22E-08 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 30 127.6 73.6 48.1 9.82E-05 20 1.97E-09 6.83E-09 1.27E-08 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 35 127.65 79.48 50.7 9.37E-05 20 1.15E-09 6.33E-09 1.26E-08 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 40 127.7 78.35 52.02 1.05E-04 20 1.39E-09 6.88E-09 1.44E-08 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 45 127.75 78.94 55.4 1.25E-04 20 1.45E-09 7.58E-09 1.79E-08 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 50 127.8 73.71 55.99 1.71E-04 20 2.85E-09 9.96E-09 2.46E-08 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 55 127.85 69.47 51.65 2.62E-04 20 6.06E-09 1.65E-08 3.57E-08 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 60 127.9 72.89 45.79 4.08E-04 20 8.87E-09 2.95E-08 5.07E-08 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 65 127.95 71.98 47.64 4.77E-04 20 1.06E-08 3.32E-08 6.12E-08 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 70 128 65.98 41.65 7.01E-04 20 2.26E-08 5.19E-08 8.08E-08 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 75 128.05 78.54 39.45 7.60E-04 20 1.24E-08 6.24E-08 8.37E-08 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 80 128.1 84.92 49.95 4.59E-04 20 2.77E-09 3.19E-08 6.09E-08 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 85 128.15 72.23 61.86 3.99E-04 20 6.10E-09 1.95E-08 6.10E-08 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 90 128.2 75.01 73.05 4.65E-04 20 3.72E-09 1.42E-08 7.70E-08 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 95 128.25 91.26 69.31 6.80E-04 20 -5.59E-10 2.60E-08 1.10E-07 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 100 128.3 76.16 50.24 1.76E-03 20 2.85E-08 1.18E-07 2.34E-07 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 105 128.35 63.41 40.49 4.19E-03 20 1.51E-07 3.09E-07 4.71E-07 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 110 128.4 70.77 42.15 6.17E-03 20 1.60E-07 4.68E-07 7.18E-07 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 115 128.45 75.99 50.16 5.21E-03 20 8.56E-08 3.51E-07 6.93E-07 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 120 128.5 80.79 44.88 5.39E-03 20 6.48E-08 4.09E-07 6.59E-07 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 125 128.55 85.62 44.44 5.69E-03 20 3.29E-08 4.39E-07 6.91E-07 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 130 128.6 87.59 50.08 4.39E-03 20 1.26E-08 3.05E-07 5.84E-07 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 135 128.65 75.35 50.88 4.49E-03 20 7.61E-08 2.98E-07 6.05E-07 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 140 128.7 73.19 42.79 6.44E-03 20 1.45E-07 4.91E-07 7.59E-07 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 145 128.75 73.95 38.34 9.45E-03 20 2.17E-07 7.72E-07 1.02E-06 03/12/97 Yes Yes 2156 172 1061 C 14 H 6 150 128.8 90.58 42.7 5.19E-03 20 -4.07E-09 4.14E-07 6.10E-07 03/12/97 Yes Yes 2156 172 1061 C 14 H 7 0 128.8 53.42 49.66 3.16E-03 20 1.29E-07 1.78E-07 4.18E-07 03/12/97 Yes Yes 2158 172 1061 C 14 H 7 5 128.85 73.69 34.64 8.16E-03 20 2.00E-07 6.99E-07 8.04E-07 03/12/97 Yes Yes 2158 172 1061 C 14 H 7 10 128.9 83.99 38.15 5.96E-03 20 5.21E-08 5.06E-07 6.38E-07 03/12/97 Yes Yes 2158 172 1061 C 14 H 7 15 128.95 76.85 40.87 3.78E-03 20 6.90E-08 3.02E-07 4.29E-07 03/12/97 Yes Yes 2158 172 1061 C 14 H 7 20 129 72.68 37.69 3.48E-03 20 8.69E-08 2.85E-07 3.69E-07 03/12/97 Yes Yes 2158 172 1061 C 14 H 7 25 129.05 73.5 41.56 2.92E-03 20 6.58E-08 2.27E-07 3.36E-07 03/12/97 Yes Yes 2158 172 1061 C 14 H 7 30 129.1 68.46 48.43 2.51E-03 20 6.48E-08 1.68E-07 3.25E-07 03/12/97 Yes Yes 2158 172 1061 C 14 H 7 35 129.15 67.32 46.61 2.53E-03 20 7.12E-08 1.74E-07 3.19E-07 03/12/97 Yes Yes 2158 172 1061 C 14 H 7 40 129.2 76.94 39.08 2.68E-03 20 4.98E-08 2.19E-07 2.92E-07 03/12/97 Yes Yes 2158 172 1061 C 14 H 7 45 129.25 78.53 37.56 2.50E-03 20 4.18E-08 2.11E-07 2.64E-07 03/12/97 Yes Yes 2158 172 1061 C 14 H 7 50 129.3 73.43 39.54 2.30E-03 20 5.36E-08 1.84E-07 2.53E-07 03/12/97 Yes Yes 2158 172 1061 C 14 H 7 55 129.35 70.75 45.37 1.77E-03 20 4.36E-08 1.28E-07 2.19E-07 03/12/97 Yes Yes 2158 172 1061 C 14 H 7 60 129.4 58.42 44.71 1.71E-03 20 6.73E-08 1.12E-07 2.08E-07 03/12/97 Yes Yes 2158 172 1061 C 14 H 7 65 129.45 54.03 51.79 2.03E-03 20 7.84E-08 1.10E-07 2.77E-07 03/12/97 Yes Yes 2158 172 1061 C 14 H 7 70 129.5 100.18 69.07 1.57E-03 20 -1.05E-08 5.99E-08 2.54E-07 03/12/97 Yes Yes 2158 172 1061 C 14 H 7 75 129.55 88.64 65.28 1.10E-03 20 1.16E-09 5.00E-08 1.74E-07 03/12/97 Yes Yes 2158 172 1061 C 14 H 7 80 129.6 85.99 40.01 1.26E-03 20 7.13E-09 1.04E-07 1.40E-07 03/12/97 Yes Yes 2158 172 1061 C 15 H 1 0 129.3 235.67 -62.97 7.47E-04 20 -2.03E-08 -3.04E-08 -1.15E-07 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 5 129.35 319.87 -28.65 2.14E-03 20 1.52E-07 -1.31E-07 -1.78E-07 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 10 129.4 339.61 7.37 2.55E-03 20 2.51E-07 -9.56E-08 5.67E-08 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 15 129.45 348.76 48.38 2.98E-03 20 2.06E-07 -4.19E-08 3.86E-07 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 20 129.5 296.39 47.82 4.67E-03 20 1.48E-07 -3.04E-07 5.99E-07 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 25 129.55 314.44 32.65 8.43E-03 20 5.27E-07 -5.49E-07 7.88E-07 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 30 129.6 332.3 31.24 1.31E-02 20 1.05E-06 -5.64E-07 1.18E-06 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 35 129.65 332.88 34.84 1.62E-02 20 1.26E-06 -6.58E-07 1.61E-06 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 40 129.7 324.68 43.01 1.66E-02 20 1.05E-06 -7.62E-07 1.96E-06 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 45 129.75 314.4 46.2 1.65E-02 20 8.45E-07 -8.82E-07 2.06E-06 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 50 129.8 317.21 38.54 1.82E-02 20 1.11E-06 -1.05E-06 1.97E-06 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 55 129.85 321.73 37.11 1.86E-02 20 1.24E-06 -9.98E-07 1.95E-06 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 60 129.9 321.33 41.28 1.66E-02 20 1.03E-06 -8.46E-07 1.90E-06 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 65 129.95 311.18 45.86 1.23E-02 20 5.97E-07 -6.97E-07 1.53E-06 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 70 130 314.43 42.43 1.07E-02 20 5.86E-07 -6.11E-07 1.25E-06 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 75 130.05 314.57 36.44 1.25E-02 20 7.49E-07 -7.77E-07 1.29E-06 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 80 130.1 316.86 34 1.23E-02 20 7.88E-07 -7.55E-07 1.19E-06 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 85 130.15 318.37 33.79 1.21E-02 20 7.94E-07 -7.22E-07 1.16E-06 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 90 130.2 315.29 31.46 1.17E-02 20 7.49E-07 -7.58E-07 1.05E-06 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 95 130.25 315.45 26.13 1.48E-02 20 1.01E-06 -1.01E-06 1.13E-06 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 100 130.3 319.58 36.49 1.02E-02 20 6.60E-07 -5.75E-07 1.05E-06 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 105 130.35 337.78 45.07 8.03E-03 20 5.57E-07 -2.33E-07 9.86E-07 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 110 130.4 332.32 39.67 1.10E-02 20 7.95E-07 -4.26E-07 1.22E-06 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 115 130.45 328.65 41.2 1.08E-02 20 7.36E-07 -4.58E-07 1.23E-06 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 120 130.5 320.93 38.5 1.12E-02 20 7.20E-07 -5.98E-07 1.21E-06 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 125 130.55 322.99 36.59 1.28E-02 20 8.70E-07 -6.71E-07 1.32E-06 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 130 130.6 331.03 30.17 1.75E-02 20 1.41E-06 -7.97E-07 1.53E-06 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 135 130.65 330.29 26.31 2.77E-02 20 2.29E-06 -1.34E-06 2.13E-06 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 140 130.7 324.07 27.38 2.97E-02 20 2.27E-06 -1.68E-06 2.37E-06 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 145 130.75 318.98 33.91 1.85E-02 20 1.23E-06 -1.09E-06 1.79E-06 03/12/97 Yes Yes 2160 172 1061 C 15 H 1 150 130.8 284.25 77.75 4.24E-03 20 2.35E-08 -9.45E-08 7.17E-07 03/12/97 Yes Yes 2160 172 1061 C 15 H 2 0 130.8 328.94 29.25 9.42E-03 20 7.46E-07 -4.60E-07 7.98E-07 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 5 130.85 319.7 27.73 1.95E-02 20 1.39E-06 -1.21E-06 1.57E-06 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 10 130.9 314.36 31.4 1.38E-02 20 8.72E-07 -9.12E-07 1.24E-06 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 15 130.95 323.7 41.59 6.94E-03 20 4.44E-07 -3.33E-07 7.99E-07 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 20 131 330.22 53.26 4.00E-03 20 2.20E-07 -1.29E-07 5.56E-07 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 25 131.05 333.21 47.03 3.00E-03 20 1.93E-07 -9.99E-08 3.80E-07 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 30 131.1 328.5 36.34 3.44E-03 20 2.50E-07 -1.57E-07 3.53E-07 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 35 131.15 326.02 30.46 4.16E-03 20 3.15E-07 -2.17E-07 3.65E-07 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 40 131.2 325.43 28.23 5.36E-03 20 4.13E-07 -2.91E-07 4.40E-07 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 45 131.25 320.87 41.69 2.81E-03 20 1.72E-07 -1.43E-07 3.24E-07 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 50 131.3 296.29 68.86 1.14E-03 20 1.93E-08 -4.00E-08 1.84E-07 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 55 131.35 337.4 30.84 2.16E-03 20 1.82E-07 -7.74E-08 1.92E-07 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 60 131.4 336.3 24.05 5.47E-03 20 4.86E-07 -2.18E-07 3.87E-07 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 65 131.45 333.71 36.69 4.22E-03 20 3.22E-07 -1.63E-07 4.37E-07 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 70 131.5 341.47 52.67 2.39E-03 20 1.46E-07 -5.00E-08 3.30E-07 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 75 131.55 343.06 34.93 3.73E-03 20 3.10E-07 -9.66E-08 3.70E-07 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 80 131.6 341.84 32.53 4.61E-03 20 3.92E-07 -1.31E-07 4.30E-07 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 85 131.65 343.03 34.89 3.79E-03 20 3.15E-07 -9.84E-08 3.76E-07 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 90 131.7 335.76 34.12 3.99E-03 20 3.20E-07 -1.47E-07 3.88E-07 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 95 131.75 326.1 35.31 3.23E-03 20 2.32E-07 -1.59E-07 3.24E-07 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 100 131.8 330.02 36.1 2.90E-03 20 2.16E-07 -1.27E-07 2.97E-07 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 105 131.85 326.2 36.13 2.24E-03 20 1.59E-07 -1.09E-07 2.28E-07 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 110 131.9 322.69 39.28 1.46E-03 20 9.54E-08 -7.44E-08 1.60E-07 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 115 131.95 324.99 50.32 1.05E-03 20 5.81E-08 -4.16E-08 1.40E-07 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 120 132 322.53 20.78 3.95E-03 20 3.11E-07 -2.44E-07 2.43E-07 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 125 132.05 319.93 25.15 5.85E-03 20 4.30E-07 -3.70E-07 4.31E-07 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 130 132.1 322.61 66.82 1.63E-03 20 5.41E-08 -4.23E-08 2.60E-07 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 135 132.15 355.69 51.87 1.12E-03 20 7.30E-08 -5.63E-09 1.52E-07 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 140 132.2 338.2 28.59 2.72E-03 20 2.35E-07 -9.63E-08 2.26E-07 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 145 132.25 334.92 29.66 2.40E-03 20 2.00E-07 -9.58E-08 2.06E-07 03/12/97 Yes Yes 2162 172 1061 C 15 H 2 150 132.3 331.68 42.08 1.11E-03 20 7.66E-08 -4.22E-08 1.28E-07 03/12/97 Yes Yes 2162 172 1061 C 15 H 3 0 132.3 343.14 33.63 1.06E-03 20 8.95E-08 -2.77E-08 1.02E-07 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 5 132.35 335.54 41.14 1.74E-03 20 1.26E-07 -5.88E-08 1.98E-07 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 10 132.4 325.88 32.33 2.88E-03 20 2.14E-07 -1.48E-07 2.67E-07 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 15 132.45 320.76 26.48 5.07E-03 20 3.72E-07 -3.11E-07 3.91E-07 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 20 132.5 322.96 34.88 3.64E-03 20 2.53E-07 -1.95E-07 3.61E-07 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 25 132.55 321.58 46.55 2.10E-03 20 1.20E-07 -9.73E-08 2.64E-07 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 30 132.6 324.65 45.48 1.74E-03 20 1.06E-07 -7.67E-08 2.15E-07 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 35 132.65 331.94 43.35 1.65E-03 20 1.12E-07 -6.11E-08 1.96E-07 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 40 132.7 332.42 40.57 1.62E-03 20 1.16E-07 -6.17E-08 1.82E-07 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 45 132.75 325.67 41.73 1.38E-03 20 9.03E-08 -6.30E-08 1.59E-07 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 50 132.8 313.96 53.82 8.06E-04 20 3.50E-08 -3.71E-08 1.13E-07 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 55 132.85 324 47.18 7.00E-04 20 4.08E-08 -3.04E-08 8.91E-08 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 60 132.9 317.12 35.89 1.17E-03 20 7.38E-08 -7.01E-08 1.19E-07 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 65 132.95 317.91 35.9 1.14E-03 20 7.26E-08 -6.71E-08 1.16E-07 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 70 133 319.21 33.4 1.04E-03 20 7.00E-08 -6.17E-08 9.96E-08 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 75 133.05 314.6 35.32 8.11E-04 20 4.93E-08 -5.11E-08 8.13E-08 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 80 133.1 310.35 41.65 5.32E-04 20 2.73E-08 -3.28E-08 6.13E-08 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 85 133.15 325.79 40.89 4.02E-04 20 2.67E-08 -1.85E-08 4.56E-08 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 90 133.2 328.53 33.01 5.16E-04 20 3.92E-08 -2.45E-08 4.88E-08 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 95 133.25 329.79 33.23 5.75E-04 20 4.41E-08 -2.62E-08 5.46E-08 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 100 133.3 328.66 26.23 7.99E-04 20 6.49E-08 -4.04E-08 6.12E-08 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 105 133.35 327.69 30.59 7.68E-04 20 5.93E-08 -3.83E-08 6.78E-08 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 110 133.4 330.38 35.99 5.74E-04 20 4.28E-08 -2.49E-08 5.84E-08 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 115 133.45 331.05 41.12 4.09E-04 20 2.86E-08 -1.62E-08 4.67E-08 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 120 133.5 333.14 55.26 2.21E-04 20 1.19E-08 -6.17E-09 3.15E-08 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 125 133.55 329.52 67.2 1.58E-04 20 5.58E-09 -3.36E-09 2.52E-08 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 130 133.6 333.27 39.18 3.16E-04 20 2.32E-08 -1.20E-08 3.46E-08 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 135 133.65 329.26 27.43 8.17E-04 20 6.61E-08 -4.02E-08 6.52E-08 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 140 133.7 326.88 26.71 1.12E-03 20 8.90E-08 -5.94E-08 8.74E-08 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 145 133.75 329.2 25.19 1.53E-03 20 1.26E-07 -7.71E-08 1.13E-07 03/12/97 Yes Yes 2164 172 1061 C 15 H 3 150 133.8 325.22 34.82 9.52E-04 20 6.81E-08 -4.84E-08 9.43E-08 03/12/97 Yes Yes 2164 172 1061 C 15 H 4 0 133.8 339.86 30.05 9.00E-04 20 7.76E-08 -2.91E-08 7.81E-08 03/12/97 Yes Yes 2166 172 1061 C 15 H 4 5 133.85 335.84 27.88 2.20E-03 20 1.88E-07 -8.64E-08 1.78E-07 03/12/97 Yes Yes 2166 172 1061 C 15 H 4 10 133.9 331.3 36.7 1.82E-03 20 1.35E-07 -7.58E-08 1.88E-07 03/12/97 Yes Yes 2166 172 1061 C 15 H 4 15 133.95 322.77 51.2 9.75E-04 20 5.16E-08 -4.01E-08 1.32E-07 03/12/97 Yes Yes 2166 172 1061 C 15 H 4 20 134 323.42 60.46 6.07E-04 20 2.55E-08 -1.93E-08 9.15E-08 03/12/97 Yes Yes 2166 172 1061 C 15 H 4 25 134.05 343.48 38.41 9.34E-04 20 7.44E-08 -2.26E-08 1.01E-07 03/12/97 Yes Yes 2166 172 1061 C 15 H 4 30 134.1 332.12 29.69 1.89E-03 20 1.54E-07 -8.33E-08 1.62E-07 03/12/97 Yes Yes 2166 172 1061 C 15 H 4 35 134.15 321.96 33.72 1.77E-03 20 1.23E-07 -9.81E-08 1.70E-07 03/12/97 Yes Yes 2166 172 1061 C 15 H 4 40 134.2 314.36 36.71 1.24E-03 20 7.38E-08 -7.72E-08 1.29E-07 03/12/97 Yes Yes 2166 172 1061 C 15 H 4 45 134.25 313.52 34.68 1.07E-03 20 6.42E-08 -6.92E-08 1.06E-07 03/12/97 Yes Yes 2166 172 1061 C 15 H 4 50 134.3 318.87 35.64 1.04E-03 20 6.76E-08 -6.04E-08 1.05E-07 03/12/97 Yes Yes 2166 172 1061 C 15 H 4 55 134.35 334.08 38.31 1.08E-03 20 8.07E-08 -4.01E-08 1.16E-07 03/12/97 Yes Yes 2166 172 1061 C 15 H 4 60 134.4 336.94 41.46 1.36E-03 20 9.92E-08 -4.32E-08 1.56E-07 03/12/97 Yes Yes 2166 172 1061 C 15 H 4 65 134.45 332.34 43.71 1.27E-03 20 8.65E-08 -4.64E-08 1.53E-07 03/12/97 Yes Yes 2166 172 1061 C 15 H 4 70 134.5 335.89 43.37 1.02E-03 20 7.19E-08 -3.29E-08 1.22E-07 03/12/97 Yes Yes 2166 172 1061 C 15 H 4 75 134.55 336.28 43.33 9.81E-04 20 6.93E-08 -3.11E-08 1.17E-07 03/12/97 Yes Yes 2166 172 1061 C 15 H 4 80 134.6 333.79 47.5 9.50E-04 20 6.11E-08 -3.08E-08 1.21E-07 03/12/97 Yes Yes 2166 172 1061 C 15 H 4 85 134.65 332.88 46.86 1.13E-03 20 7.33E-08 -3.84E-08 1.44E-07 03/12/97 Yes Yes 2166 172 1061 C 15 H 4 90 134.7 340.41 48.4 1.33E-03 20 8.80E-08 -3.20E-08 1.72E-07 03/12/97 Yes Yes 2166 172 1061 C 15 H 4 95 134.75 348.77 56.87 1.35E-03 20 7.68E-08 -1.56E-08 1.96E-07 03/12/97 Yes Yes 2166 172 1061 C 15 H 4 100 134.8 279.77 57.99 1.87E-03 20 1.79E-08 -1.06E-07 2.76E-07 03/12/97 Yes Yes 2166 172 1061 C 15 H 4 105 134.85 270.85 29.53 1.14E-02 20 1.56E-08 -1.07E-06 9.71E-07 03/12/97 Yes Yes 2166 172 1061 C 15 H 4 110 134.9 358.89 72.88 2.70E-02 20 8.44E-07 -1.67E-08 4.48E-06 03/12/97 Yes Yes 2166 172 1061 C 15 H 4 115 134.95 82.54 19.66 4.88E-02 20 6.32E-07 4.94E-06 2.85E-06 03/12/97 Yes Yes 2166 172 1061 C 15 H 4 120 135 289.91 65.1 3.49E-03 20 5.30E-08 -1.50E-07 5.48E-07 03/12/97 Yes Yes 2166 172 1061 C 15 H 4 125 135.05 279.02 20.54 4.72E-03 20 7.35E-08 -4.74E-07 2.87E-07 03/12/97 Yes Yes 2166 172 1061 C 15 H 4 130 135.1 296.16 38.72 2.63E-03 20 9.59E-08 -2.00E-07 2.85E-07 03/12/97 Yes Yes 2166 172 1061 C 15 H 4 135 135.15 307.33 42.04 2.25E-03 20 1.08E-07 -1.44E-07 2.61E-07 03/12/97 Yes Yes 2166 172 1061 C 15 H 4 140 135.2 314.54 36.52 2.22E-03 20 1.33E-07 -1.38E-07 2.29E-07 03/12/97 Yes Yes 2166 172 1061 C 15 H 4 145 135.25 317.48 32.05 2.08E-03 20 1.38E-07 -1.29E-07 1.91E-07 03/12/97 Yes Yes 2166 172 1061 C 15 H 5 0 135.3 337.7 34.17 9.53E-04 20 7.74E-08 -3.24E-08 9.28E-08 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 5 135.35 335.71 30.69 2.52E-03 20 2.09E-07 -9.65E-08 2.23E-07 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 10 135.4 338.32 35.41 2.39E-03 20 1.92E-07 -7.80E-08 2.40E-07 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 15 135.45 339.73 41.79 1.92E-03 20 1.42E-07 -5.37E-08 2.21E-07 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 20 135.5 341.09 47.26 1.49E-03 20 1.02E-07 -3.56E-08 1.90E-07 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 25 135.55 336.57 37.64 1.62E-03 20 1.25E-07 -5.53E-08 1.71E-07 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 30 135.6 340.2 27.18 1.92E-03 20 1.70E-07 -6.27E-08 1.52E-07 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 35 135.65 343.57 20.95 2.04E-03 20 1.94E-07 -5.83E-08 1.26E-07 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 40 135.7 344.4 22.61 1.69E-03 20 1.59E-07 -4.55E-08 1.13E-07 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 45 135.75 343.01 27.1 1.48E-03 20 1.34E-07 -4.18E-08 1.17E-07 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 50 135.8 334.94 36.45 9.89E-04 20 7.65E-08 -3.66E-08 1.02E-07 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 55 135.85 328.83 36.73 8.36E-04 20 6.08E-08 -3.76E-08 8.67E-08 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 60 135.9 339.12 36.15 9.02E-04 20 7.22E-08 -2.82E-08 9.22E-08 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 65 135.95 338.2 33.77 1.07E-03 20 8.72E-08 -3.57E-08 1.03E-07 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 70 136 335.19 34.92 1.17E-03 20 9.22E-08 -4.36E-08 1.16E-07 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 75 136.05 335.58 37.15 1.14E-03 20 8.76E-08 -4.07E-08 1.19E-07 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 80 136.1 331.06 40.05 9.39E-04 20 6.67E-08 -3.77E-08 1.05E-07 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 85 136.15 328.28 52.65 4.19E-04 20 2.30E-08 -1.45E-08 5.78E-08 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 90 136.2 342.29 60.17 2.01E-04 20 1.01E-08 -3.31E-09 3.03E-08 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 95 136.25 333.82 50.07 2.00E-04 20 1.22E-08 -6.13E-09 2.65E-08 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 100 136.3 349.89 43.8 2.94E-04 20 2.22E-08 -4.04E-09 3.53E-08 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 105 136.35 337.34 42.54 4.19E-04 20 3.02E-08 -1.29E-08 4.91E-08 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 110 136.4 333.17 39.75 4.83E-04 20 3.51E-08 -1.82E-08 5.35E-08 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 115 136.45 330.76 38.08 4.94E-04 20 3.60E-08 -2.06E-08 5.29E-08 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 120 136.5 338.76 34.1 5.24E-04 20 4.29E-08 -1.71E-08 5.10E-08 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 125 136.55 341.27 33.54 5.50E-04 20 4.61E-08 -1.60E-08 5.27E-08 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 130 136.6 337.42 34.62 5.45E-04 20 4.39E-08 -1.87E-08 5.36E-08 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 135 136.65 337.83 35.03 5.05E-04 20 4.07E-08 -1.69E-08 5.03E-08 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 140 136.7 342.9 32.31 5.06E-04 20 4.34E-08 -1.36E-08 4.69E-08 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 145 136.75 342.87 29.56 5.43E-04 20 4.79E-08 -1.51E-08 4.64E-08 03/12/97 Yes Yes 2168 172 1061 C 15 H 5 150 136.8 337.39 33.67 2.81E-04 20 2.29E-08 -9.75E-09 2.70E-08 03/12/97 Yes Yes 2168 172 1061 C 15 H 6 0 136.8 336.22 35.41 2.16E-04 20 1.71E-08 -7.69E-09 2.17E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 5 136.85 331.65 33.33 4.66E-04 20 3.63E-08 -2.00E-08 4.44E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 10 136.9 331.22 34.99 5.54E-04 20 4.22E-08 -2.37E-08 5.51E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 15 136.95 333.76 35.11 6.22E-04 20 4.84E-08 -2.44E-08 6.20E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 20 137 333.46 36.44 6.24E-04 20 4.77E-08 -2.43E-08 6.43E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 25 137.05 335.64 39.77 5.18E-04 20 3.84E-08 -1.78E-08 5.74E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 30 137.1 335.89 44.64 4.08E-04 20 2.81E-08 -1.29E-08 4.97E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 35 137.15 333.95 41.56 3.70E-04 20 2.64E-08 -1.32E-08 4.25E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 40 137.2 336.68 41.38 3.53E-04 20 2.58E-08 -1.14E-08 4.05E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 45 137.25 341.92 40.55 3.45E-04 20 2.64E-08 -8.83E-09 3.89E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 50 137.3 334.12 38.38 3.53E-04 20 2.64E-08 -1.31E-08 3.80E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 55 137.35 329.89 39.45 3.00E-04 20 2.13E-08 -1.26E-08 3.31E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 60 137.4 334.53 37.23 3.16E-04 20 2.41E-08 -1.17E-08 3.31E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 65 137.45 336.4 36.32 3.49E-04 20 2.73E-08 -1.22E-08 3.58E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 70 137.5 334.21 37.9 3.31E-04 20 2.49E-08 -1.23E-08 3.52E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 75 137.55 333.19 41.79 2.89E-04 20 2.04E-08 -1.06E-08 3.34E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 80 137.6 334.43 40.26 2.63E-04 20 1.92E-08 -9.40E-09 2.95E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 85 137.65 337.94 40.66 2.59E-04 20 1.93E-08 -7.99E-09 2.92E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 90 137.7 337.27 43.02 2.43E-04 20 1.74E-08 -7.46E-09 2.88E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 95 137.75 333.25 41.67 2.19E-04 20 1.55E-08 -7.97E-09 2.52E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 100 137.8 338.94 37.07 2.18E-04 20 1.72E-08 -6.79E-09 2.28E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 105 137.85 339.67 29.4 3.27E-04 20 2.83E-08 -1.07E-08 2.78E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 110 137.9 342.82 29.08 4.60E-04 20 4.07E-08 -1.29E-08 3.88E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 115 137.95 340.76 33.28 4.69E-04 20 3.93E-08 -1.40E-08 4.46E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 120 138 341.72 34.97 4.21E-04 20 3.47E-08 -1.17E-08 4.18E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 125 138.05 337.54 38.99 3.76E-04 20 2.87E-08 -1.21E-08 4.10E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 130 138.1 335.64 39 4.45E-04 20 3.34E-08 -1.55E-08 4.86E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 135 138.15 340.56 38.71 5.31E-04 20 4.14E-08 -1.49E-08 5.75E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 140 138.2 343.88 35.43 6.03E-04 20 5.00E-08 -1.48E-08 6.06E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 145 138.25 349.09 32.66 6.43E-04 20 5.64E-08 -1.11E-08 6.02E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 6 150 138.3 348.49 41.8 3.36E-04 20 2.61E-08 -5.42E-09 3.89E-08 03/12/97 Yes Yes 2170 172 1061 C 15 H 7 0 138.3 347.52 28.91 2.79E-04 20 2.53E-08 -5.73E-09 2.34E-08 03/12/97 Yes Yes 2172 172 1061 C 15 H 7 5 138.35 336.43 28.59 6.13E-04 20 5.23E-08 -2.33E-08 5.08E-08 03/12/97 Yes Yes 2172 172 1061 C 15 H 7 10 138.4 330.92 33.29 6.31E-04 20 4.89E-08 -2.78E-08 6.01E-08 03/12/97 Yes Yes 2172 172 1061 C 15 H 7 15 138.45 335.33 41.98 4.66E-04 20 3.34E-08 -1.57E-08 5.40E-08 03/12/97 Yes Yes 2172 172 1061 C 15 H 7 20 138.5 332.37 44.76 4.01E-04 20 2.68E-08 -1.43E-08 4.90E-08 03/12/97 Yes Yes 2172 172 1061 C 15 H 7 25 138.55 328.72 40.02 4.18E-04 20 2.90E-08 -1.80E-08 4.66E-08 03/12/97 Yes Yes 2172 172 1061 C 15 H 7 30 138.6 335.84 32.67 4.98E-04 20 4.05E-08 -1.86E-08 4.66E-08 03/12/97 Yes Yes 2172 172 1061 C 15 H 7 35 138.65 332.6 30.61 5.27E-04 20 4.28E-08 -2.27E-08 4.66E-08 03/12/97 Yes Yes 2172 172 1061 C 15 H 7 40 138.7 300.43 62.2 1.76E-04 20 4.42E-09 -7.70E-09 2.71E-08 03/12/97 Yes Yes 2172 172 1061 C 15 H 7 45 138.75 152.44 32.29 1.08E-04 20 -8.62E-09 4.60E-09 1.00E-08 03/12/97 Yes Yes 2172 172 1061 C 15 H 7 50 138.8 333.32 27.69 3.19E-04 20 2.68E-08 -1.37E-08 2.57E-08 03/12/97 Yes Yes 2172 172 1061 C 15 H 7 55 138.85 333.29 31.35 5.50E-04 20 4.45E-08 -2.29E-08 4.96E-08 03/12/97 Yes Yes 2172 172 1061 C 15 H 7 60 138.9 340.73 40.21 5.19E-04 20 3.97E-08 -1.42E-08 5.81E-08 03/12/97 Yes Yes 2172 172 1061 C 15 H 7 65 138.95 331.84 49.03 4.27E-04 20 2.62E-08 -1.43E-08 5.59E-08 03/12/97 Yes Yes 2172 172 1061 C 15 H 7 70 139 324.5 50.88 3.71E-04 20 2.02E-08 -1.47E-08 4.98E-08 03/12/97 Yes Yes 2172 172 1061 C 15 H 7 75 139.05 329.96 47.61 3.76E-04 20 2.33E-08 -1.38E-08 4.82E-08 03/12/97 Yes Yes 2172 172 1061 C 15 H 7 80 139.1 348.15 50.08 3.85E-04 20 2.57E-08 -5.51E-09 5.12E-08 03/12/97 Yes Yes 2172 172 1061 C 15 H 7 85 139.15 348.02 59.59 4.03E-04 20 2.12E-08 -4.59E-09 6.02E-08 03/12/97 Yes Yes 2172 172 1061 C 15 H 7 90 139.2 338.94 67.27 3.23E-04 20 1.24E-08 -4.87E-09 5.17E-08 03/12/97 Yes Yes 2172 172 1061 C 15 H 7 95 139.25 332.1 47.46 3.43E-04 20 2.17E-08 -1.18E-08 4.38E-08 03/12/97 Yes Yes 2172 172 1061 C 15 H 7 100 139.3 312.17 40.4 1.80E-04 20 9.79E-09 -1.10E-08 2.03E-08 03/12/97 Yes Yes 2172 172 1061 C 16 H 1 0 138.8 206.98 -5.98 4.64E-04 20 -4.36E-08 -2.27E-08 -8.38E-09 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 5 138.85 271.19 20.05 3.32E-04 20 6.90E-10 -3.38E-08 1.97E-08 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 10 138.9 288.83 37.89 1.34E-03 20 3.63E-08 -1.09E-07 1.43E-07 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 15 138.95 108.41 33.31 3.05E-03 20 -8.54E-08 2.62E-07 2.91E-07 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 20 139 131.62 28.59 9.09E-04 20 -5.62E-08 6.47E-08 7.55E-08 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 25 139.05 244.89 23.73 1.03E-03 20 -4.24E-08 -9.25E-08 7.18E-08 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 30 139.1 244.78 34.04 7.99E-04 20 -2.99E-08 -6.49E-08 7.75E-08 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 35 139.15 237.01 42.7 6.87E-04 20 -2.92E-08 -4.59E-08 8.08E-08 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 40 139.2 256.89 52.17 6.71E-04 20 -9.89E-09 -4.34E-08 9.18E-08 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 45 139.25 251.61 54.67 6.79E-04 20 -1.31E-08 -4.04E-08 9.60E-08 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 50 139.3 242.1 51.81 7.00E-04 20 -2.15E-08 -4.15E-08 9.53E-08 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 55 139.35 240.36 51.69 9.02E-04 20 -2.93E-08 -5.27E-08 1.23E-07 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 60 139.4 241.24 48.1 1.23E-03 20 -4.20E-08 -7.83E-08 1.59E-07 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 65 139.45 234.36 47.2 1.61E-03 20 -6.74E-08 -9.62E-08 2.04E-07 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 70 139.5 228.4 49.78 1.23E-03 20 -5.61E-08 -6.46E-08 1.63E-07 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 75 139.55 223 75.92 7.85E-04 20 -1.48E-08 -1.41E-08 1.32E-07 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 80 139.6 255.74 73.21 8.28E-04 20 -6.25E-09 -2.51E-08 1.37E-07 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 85 139.65 242.96 59.13 9.23E-04 20 -2.28E-08 -4.58E-08 1.37E-07 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 90 139.7 222.78 67.04 7.62E-04 20 -2.32E-08 -2.19E-08 1.22E-07 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 95 139.75 236.46 70.42 6.16E-04 20 -1.21E-08 -1.87E-08 1.01E-07 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 100 139.8 238.68 79.81 5.93E-04 20 -5.79E-09 -9.72E-09 1.01E-07 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 105 139.85 218.73 73.37 6.78E-04 20 -1.60E-08 -1.32E-08 1.13E-07 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 110 139.9 235.44 61.83 6.69E-04 20 -1.90E-08 -2.82E-08 1.02E-07 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 115 139.95 332.92 52.43 8.95E-04 20 5.15E-08 -2.69E-08 1.23E-07 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 120 140 285.67 73.43 8.90E-04 20 7.26E-09 -2.65E-08 1.48E-07 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 125 140.05 151.04 80.93 8.61E-04 20 -1.26E-08 7.13E-09 1.47E-07 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 130 140.1 236.91 78.71 7.70E-04 20 -8.74E-09 -1.37E-08 1.31E-07 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 135 140.15 271.79 69.28 9.89E-04 20 1.16E-09 -3.79E-08 1.60E-07 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 140 140.2 197.8 82.03 9.68E-04 20 -1.35E-08 -4.45E-09 1.66E-07 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 145 140.25 227.34 69.34 7.29E-04 20 -1.85E-08 -2.05E-08 1.18E-07 03/12/97 Yes Yes 2174 172 1061 C 16 H 1 150 140.3 224.76 68.56 3.97E-04 20 -1.09E-08 -1.11E-08 6.41E-08 03/12/97 Yes Yes 2174 172 1061 C 16 H 2 0 140.3 288.96 70.66 2.84E-04 20 3.24E-09 -9.65E-09 4.65E-08 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 5 140.35 263.36 66.1 6.10E-04 20 -3.03E-09 -2.66E-08 9.67E-08 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 10 140.4 254.05 67.35 7.44E-04 20 -8.35E-09 -2.99E-08 1.19E-07 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 15 140.45 239.14 69.49 8.14E-04 20 -1.55E-08 -2.65E-08 1.32E-07 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 20 140.5 226.61 78.29 7.98E-04 20 -1.18E-08 -1.28E-08 1.35E-07 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 25 140.55 243.65 77.92 7.60E-04 20 -7.49E-09 -1.55E-08 1.29E-07 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 30 140.6 230.98 77.96 9.61E-04 20 -1.34E-08 -1.69E-08 1.63E-07 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 35 140.65 224.89 67.62 1.54E-03 20 -4.39E-08 -4.48E-08 2.46E-07 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 40 140.7 214.38 49.37 2.19E-03 20 -1.25E-07 -8.72E-08 2.88E-07 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 45 140.75 224.56 38.24 2.00E-03 20 -1.19E-07 -1.20E-07 2.15E-07 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 50 140.8 214.16 66.37 9.43E-04 20 -3.32E-08 -2.30E-08 1.50E-07 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 55 140.85 222.04 57.31 6.36E-04 20 -2.70E-08 -2.49E-08 9.27E-08 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 60 140.9 235.21 43.35 6.67E-04 20 -2.93E-08 -4.32E-08 7.94E-08 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 65 140.95 225.74 54.64 6.47E-04 20 -2.77E-08 -2.91E-08 9.15E-08 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 70 141 197.15 56.91 7.26E-04 20 -4.02E-08 -1.27E-08 1.05E-07 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 75 141.05 212.19 50.55 7.16E-04 20 -4.09E-08 -2.63E-08 9.59E-08 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 80 141.1 220.23 60.4 5.93E-04 20 -2.37E-08 -2.05E-08 8.93E-08 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 85 141.15 10.05 76.17 7.30E-04 20 1.82E-08 3.30E-09 1.23E-07 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 90 141.2 244.36 62.55 1.22E-03 20 -2.58E-08 -5.49E-08 1.87E-07 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 95 141.25 209.27 44.53 7.58E-04 20 -5.00E-08 -2.87E-08 9.22E-08 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 100 141.3 241.17 72.31 4.02E-04 20 -6.25E-09 -1.16E-08 6.64E-08 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 105 141.35 219.67 71.75 4.47E-04 20 -1.14E-08 -9.70E-09 7.36E-08 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 110 141.4 220.96 60.16 6.38E-04 20 -2.54E-08 -2.26E-08 9.60E-08 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 115 141.45 220.97 51.13 8.09E-04 20 -4.07E-08 -3.61E-08 1.09E-07 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 120 141.5 227.45 48.97 8.15E-04 20 -3.84E-08 -4.27E-08 1.07E-07 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 125 141.55 232.64 56.81 7.16E-04 20 -2.52E-08 -3.38E-08 1.04E-07 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 130 141.6 233.2 69.42 6.72E-04 20 -1.50E-08 -2.05E-08 1.09E-07 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 135 141.65 220.61 58.89 8.38E-04 20 -3.48E-08 -3.05E-08 1.24E-07 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 140 141.7 217.37 37.83 9.70E-04 20 -6.46E-08 -5.04E-08 1.03E-07 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 145 141.75 219.98 35.68 8.73E-04 20 -5.76E-08 -4.94E-08 8.82E-08 03/12/97 Yes Yes 2176 172 1061 C 16 H 2 150 141.8 216.98 46.6 4.16E-04 20 -2.42E-08 -1.86E-08 5.24E-08 03/12/97 Yes Yes 2176 172 1061 C 16 H 3 0 141.8 157.29 60.69 3.82E-04 20 -1.83E-08 7.84E-09 5.78E-08 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 5 141.85 180.67 46.03 8.98E-04 20 -6.61E-08 -7.92E-10 1.12E-07 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 10 141.9 175.99 55.48 1.23E-03 20 -7.40E-08 5.31E-09 1.76E-07 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 15 141.95 165.7 56.91 1.72E-03 20 -9.67E-08 2.52E-08 2.50E-07 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 20 142 173.98 56.45 2.20E-03 20 -1.29E-07 1.39E-08 3.18E-07 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 25 142.05 168.77 54.69 2.57E-03 20 -1.55E-07 3.14E-08 3.64E-07 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 30 142.1 173.79 54.33 3.12E-03 20 -1.92E-07 2.14E-08 4.40E-07 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 35 142.15 168.18 55.95 3.38E-03 20 -1.97E-07 4.21E-08 4.86E-07 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 40 142.2 159.54 50.46 4.38E-03 20 -2.77E-07 1.06E-07 5.86E-07 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 45 142.25 167.36 50.85 3.99E-03 20 -2.61E-07 5.97E-08 5.36E-07 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 50 142.3 171.52 54.36 3.26E-03 20 -1.99E-07 3.04E-08 4.59E-07 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 55 142.35 169.4 55.19 3.70E-03 20 -2.20E-07 4.21E-08 5.26E-07 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 60 142.4 163.52 49.27 5.52E-03 20 -3.66E-07 1.11E-07 7.25E-07 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 65 142.45 161.83 48.75 6.46E-03 20 -4.30E-07 1.44E-07 8.43E-07 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 70 142.5 169.58 49.04 6.53E-03 20 -4.46E-07 8.39E-08 8.55E-07 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 75 142.55 180.7 53.03 5.79E-03 20 -3.69E-07 -4.61E-09 8.01E-07 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 80 142.6 178.75 51.27 6.67E-03 20 -4.42E-07 9.88E-09 9.02E-07 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 85 142.65 173.01 50.72 7.87E-03 20 -5.25E-07 6.58E-08 1.06E-06 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 90 142.7 163.91 41.9 1.17E-02 20 -8.84E-07 2.61E-07 1.35E-06 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 95 142.75 158.07 42.01 1.19E-02 20 -8.69E-07 3.58E-07 1.38E-06 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 100 142.8 156.1 54.81 8.04E-03 20 -4.49E-07 2.04E-07 1.14E-06 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 105 142.85 172.67 51.7 1.05E-02 20 -6.85E-07 9.01E-08 1.43E-06 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 110 142.9 173.41 47.42 1.31E-02 20 -9.34E-07 1.10E-07 1.67E-06 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 115 142.95 183.24 49.4 1.41E-02 20 -9.75E-07 -5.65E-08 1.86E-06 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 120 143 183.35 51.54 1.49E-02 20 -9.81E-07 -5.87E-08 2.02E-06 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 125 143.05 177.72 54.63 1.68E-02 20 -1.03E-06 4.20E-08 2.37E-06 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 130 143.1 171.43 46.85 2.45E-02 20 -1.76E-06 2.71E-07 3.10E-06 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 135 143.15 177.51 46.4 2.79E-02 20 -2.04E-06 9.07E-08 3.51E-06 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 140 143.2 190.64 44.53 3.55E-02 20 -2.64E-06 -5.08E-07 4.32E-06 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 145 143.25 200.02 40.59 4.27E-02 20 -3.23E-06 -1.20E-06 4.81E-06 03/12/97 Yes Yes 2178 172 1061 C 16 H 3 150 143.3 208.07 43.88 2.34E-02 20 -1.58E-06 -8.62E-07 2.82E-06 03/12/97 Yes Yes 2178 172 1061 C 16 H 4 0 143.3 259.23 39.23 6.98E-03 20 -1.07E-07 -5.76E-07 7.65E-07 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 5 143.35 241.04 36.43 1.23E-02 20 -5.08E-07 -9.38E-07 1.26E-06 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 10 143.4 212.82 47.79 9.74E-03 20 -5.83E-07 -3.85E-07 1.25E-06 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 15 143.45 205.18 49.34 9.26E-03 20 -5.79E-07 -2.78E-07 1.22E-06 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 20 143.5 209.17 41.29 1.52E-02 20 -1.06E-06 -6.03E-07 1.74E-06 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 25 143.55 206.03 41.18 2.16E-02 20 -1.55E-06 -7.73E-07 2.46E-06 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 30 143.6 201.24 50.14 1.83E-02 20 -1.16E-06 -4.60E-07 2.43E-06 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 35 143.65 207.16 58.69 1.19E-02 20 -5.84E-07 -3.07E-07 1.77E-06 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 40 143.7 206.78 58 7.09E-03 20 -3.56E-07 -1.84E-07 1.04E-06 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 45 143.75 177.47 81.15 3.17E-03 20 -5.16E-08 2.33E-09 5.42E-07 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 50 143.8 177.26 77.06 2.77E-03 20 -6.58E-08 3.22E-09 4.69E-07 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 55 143.85 197.51 74.83 3.63E-03 20 -9.61E-08 -3.10E-08 6.08E-07 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 60 143.9 183.95 69.17 5.36E-03 20 -2.02E-07 -1.42E-08 8.69E-07 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 65 143.95 210.32 65.37 5.21E-03 20 -1.99E-07 -1.19E-07 8.21E-07 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 70 144 210.04 65.13 3.79E-03 20 -1.46E-07 -8.64E-08 5.95E-07 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 75 144.05 214.74 69.54 2.22E-03 20 -6.77E-08 -4.80E-08 3.61E-07 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 80 144.1 220.68 71.16 1.70E-03 20 -4.41E-08 -3.88E-08 2.79E-07 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 85 144.15 216.08 69.06 1.49E-03 20 -4.56E-08 -3.40E-08 2.41E-07 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 90 144.2 211.26 62.24 1.61E-03 20 -6.81E-08 -4.23E-08 2.47E-07 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 95 144.25 213.51 45.82 2.35E-03 20 -1.45E-07 -9.81E-08 2.92E-07 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 100 144.3 212.41 41.72 2.64E-03 20 -1.77E-07 -1.15E-07 3.05E-07 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 105 144.35 202.23 47.26 1.41E-03 20 -9.42E-08 -3.94E-08 1.80E-07 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 110 144.4 220.61 56.3 9.78E-04 20 -4.37E-08 -3.83E-08 1.41E-07 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 115 144.45 247.56 69.88 1.01E-03 20 -1.41E-08 -3.50E-08 1.65E-07 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 120 144.5 60.94 59.47 1.47E-03 20 3.84E-08 7.07E-08 2.19E-07 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 125 144.55 233.63 68.6 3.72E-03 20 -8.54E-08 -1.19E-07 6.01E-07 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 130 144.6 221.51 42.75 9.65E-03 20 -5.63E-07 -5.10E-07 1.14E-06 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 135 144.65 204.88 44.24 4.62E-03 20 -3.19E-07 -1.51E-07 5.59E-07 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 140 144.7 160.83 77.9 1.45E-03 20 -3.05E-08 1.09E-08 2.46E-07 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 145 144.75 234.66 67.14 1.30E-03 20 -3.11E-08 -4.48E-08 2.08E-07 03/12/97 Yes Yes 2180 172 1061 C 16 H 4 150 144.8 224.75 56.01 6.50E-04 20 -2.74E-08 -2.78E-08 9.35E-08 03/12/97 Yes Yes 2180 172 1061 C 16 H 5 0 144.8 173.28 68.71 3.94E-04 20 -1.51E-08 1.82E-09 6.37E-08 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 5 144.85 212.23 44.63 9.82E-04 20 -6.27E-08 -4.04E-08 1.20E-07 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 10 144.9 200.88 47.69 9.73E-04 20 -6.49E-08 -2.53E-08 1.25E-07 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 15 144.95 210.98 52.73 9.68E-04 20 -5.33E-08 -3.27E-08 1.34E-07 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 20 145 199.32 53.08 1.02E-03 20 -6.14E-08 -2.20E-08 1.42E-07 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 25 145.05 190.11 51.33 8.54E-04 20 -5.57E-08 -1.02E-08 1.16E-07 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 30 145.1 187.45 49.59 8.33E-04 20 -5.68E-08 -7.60E-09 1.10E-07 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 35 145.15 185.29 53.44 7.72E-04 20 -4.86E-08 -4.60E-09 1.07E-07 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 40 145.2 192.54 57.15 7.63E-04 20 -4.29E-08 -9.75E-09 1.11E-07 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 45 145.25 196.46 52.99 8.89E-04 20 -5.45E-08 -1.65E-08 1.23E-07 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 50 145.3 197.5 54.03 9.18E-04 20 -5.45E-08 -1.76E-08 1.29E-07 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 55 145.35 193.61 52.23 9.62E-04 20 -6.08E-08 -1.50E-08 1.32E-07 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 60 145.4 191.76 51.79 9.13E-04 20 -5.86E-08 -1.25E-08 1.24E-07 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 65 145.45 188.89 54.54 8.89E-04 20 -5.41E-08 -8.64E-09 1.26E-07 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 70 145.5 194.42 59.51 8.43E-04 20 -4.40E-08 -1.16E-08 1.26E-07 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 75 145.55 188.7 52.16 8.17E-04 20 -5.25E-08 -8.22E-09 1.12E-07 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 80 145.6 174.19 63.43 6.02E-04 20 -2.84E-08 2.95E-09 9.33E-08 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 85 145.65 181.73 54.68 7.20E-04 20 -4.41E-08 -1.36E-09 1.02E-07 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 90 145.7 186.45 44.75 6.93E-04 20 -5.19E-08 -6.00E-09 8.46E-08 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 95 145.75 215.75 45.08 7.58E-04 20 -4.61E-08 -3.39E-08 9.31E-08 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 100 145.8 213.84 35.2 1.25E-03 20 -9.00E-08 -6.17E-08 1.25E-07 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 105 145.85 210.88 37.85 1.40E-03 20 -1.01E-07 -6.17E-08 1.49E-07 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 110 145.9 211.68 47.01 1.33E-03 20 -8.21E-08 -5.18E-08 1.69E-07 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 115 145.95 227.94 58.15 1.44E-03 20 -5.40E-08 -6.12E-08 2.12E-07 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 120 146 248.21 58.14 1.62E-03 20 -3.36E-08 -8.59E-08 2.38E-07 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 125 146.05 293.67 46.82 1.86E-03 20 5.41E-08 -1.26E-07 2.35E-07 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 130 146.1 327.52 15.84 4.86E-03 20 4.18E-07 -2.72E-07 2.30E-07 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 135 146.15 333.26 3.41 1.87E-02 20 1.77E-06 -9.12E-07 1.93E-07 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 140 146.2 329.17 -3.03 4.73E-02 20 4.30E-06 -2.62E-06 -4.34E-07 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 145 146.25 172.05 -11.97 1.06E-01 20 -1.09E-05 1.56E-06 -3.83E-06 03/12/97 Yes Yes 2182 172 1061 C 16 H 5 150 146.3 151.01 -1.78 4.07E-01 20 -3.77E-05 2.14E-05 -2.19E-06 03/12/97 Yes Yes 2182 172 1061 C 16 H 6 0 146.3 62.65 10.5 1.04E-02 20 4.99E-07 9.86E-07 3.29E-07 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 5 146.35 83.74 15.11 2.36E-03 20 2.64E-08 2.46E-07 1.07E-07 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 10 146.4 225.45 28.38 2.72E-03 20 -1.78E-07 -1.85E-07 2.24E-07 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 15 146.45 217.06 52.34 1.65E-03 20 -8.53E-08 -6.59E-08 2.26E-07 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 20 146.5 198.76 64.03 1.49E-03 20 -6.53E-08 -2.27E-08 2.32E-07 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 25 146.55 192.19 57.34 1.54E-03 20 -8.61E-08 -1.90E-08 2.24E-07 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 30 146.6 196.55 56.98 1.52E-03 20 -8.43E-08 -2.56E-08 2.21E-07 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 35 146.65 190.92 69.9 1.45E-03 20 -5.20E-08 -1.03E-08 2.37E-07 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 40 146.7 199.52 70.13 2.04E-03 20 -6.94E-08 -2.52E-08 3.33E-07 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 45 146.75 210.48 55.71 3.70E-03 20 -1.91E-07 -1.15E-07 5.30E-07 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 50 146.8 211.67 42.2 6.75E-03 20 -4.51E-07 -2.85E-07 7.85E-07 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 55 146.85 210.19 36.44 1.43E-02 20 -1.05E-06 -6.26E-07 1.47E-06 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 60 146.9 211.1 39.58 1.39E-02 20 -9.70E-07 -5.98E-07 1.53E-06 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 65 146.95 219.48 49.71 1.04E-02 20 -5.52E-07 -4.65E-07 1.38E-06 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 70 147 211.48 55.32 1.10E-02 20 -5.68E-07 -3.55E-07 1.57E-06 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 75 147.05 191.17 50.25 9.17E-03 20 -6.10E-07 -1.23E-07 1.22E-06 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 80 147.1 171.76 69.83 2.65E-03 20 -9.59E-08 1.42E-08 4.31E-07 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 85 147.15 68.42 80.27 1.21E-03 20 7.98E-09 2.06E-08 2.07E-07 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 90 147.2 160.84 71.02 8.51E-04 20 -2.77E-08 9.85E-09 1.39E-07 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 95 147.25 194.37 70.44 7.02E-04 20 -2.41E-08 -6.32E-09 1.15E-07 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 100 147.3 223.75 73.71 6.48E-04 20 -1.39E-08 -1.36E-08 1.08E-07 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 105 147.35 216.4 77.14 8.28E-04 20 -1.57E-08 -1.19E-08 1.40E-07 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 110 147.4 194.91 49.96 1.40E-03 20 -9.21E-08 -2.51E-08 1.85E-07 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 115 147.45 197.76 49.88 9.62E-04 20 -6.26E-08 -2.05E-08 1.27E-07 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 120 147.5 236.94 56.33 7.15E-04 20 -2.29E-08 -3.60E-08 1.03E-07 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 125 147.55 213.07 59.47 7.95E-04 20 -3.59E-08 -2.39E-08 1.19E-07 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 130 147.6 190.07 51.16 1.04E-03 20 -6.82E-08 -1.24E-08 1.41E-07 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 135 147.65 166.43 38.88 1.42E-03 20 -1.14E-07 2.81E-08 1.55E-07 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 140 147.7 129.31 27.02 2.14E-03 20 -1.28E-07 1.60E-07 1.69E-07 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 145 147.75 8.17 29.94 5.11E-03 20 4.65E-07 6.82E-08 4.42E-07 03/12/97 Yes Yes 2184 172 1061 C 16 H 6 150 147.8 293.83 15.76 1.94E-02 20 7.98E-07 -1.85E-06 9.11E-07 03/12/97 Yes Yes 2184 172 1061 C 16 H 7 0 147.8 120.11 58.39 3.31E-04 20 -9.24E-09 1.63E-08 4.89E-08 03/12/97 Yes Yes 2186 172 1061 C 16 H 7 5 147.85 304.61 73.06 1.25E-03 20 2.20E-08 -3.26E-08 2.08E-07 03/12/97 Yes Yes 2186 172 1061 C 16 H 7 10 147.9 180.46 88.04 2.50E-03 20 -9.08E-09 -7.43E-11 4.33E-07 03/12/97 Yes Yes 2186 172 1061 C 16 H 7 15 147.95 187.3 51.22 1.93E-03 20 -1.27E-07 -1.67E-08 2.61E-07 03/12/97 Yes Yes 2186 172 1061 C 16 H 7 20 148 184.12 37.96 1.01E-03 20 -8.46E-08 -6.23E-09 1.08E-07 03/12/97 Yes Yes 2186 172 1061 C 16 H 7 25 148.05 176.13 30.04 6.13E-04 20 -5.61E-08 3.89E-09 5.32E-08 03/12/97 Yes Yes 2186 172 1061 C 16 H 7 30 148.1 193.54 35.7 4.25E-04 20 -3.56E-08 -8.78E-09 4.30E-08 03/12/97 Yes Yes 2186 172 1061 C 16 H 7 35 148.15 243.36 70.23 4.68E-04 20 -7.53E-09 -1.53E-08 7.63E-08 03/12/97 Yes Yes 2186 172 1061 C 16 H 7 40 148.2 153.16 85.74 8.99E-04 20 -6.31E-09 3.27E-09 1.55E-07 03/12/97 Yes Yes 2186 172 1061 C 16 H 7 45 148.25 167.46 55.68 7.97E-04 20 -4.65E-08 1.06E-08 1.14E-07 03/12/97 Yes Yes 2186 172 1061 C 17 H 1 0 148.3 216.63 41.46 5.34E-04 20 -3.41E-08 -2.59E-08 6.13E-08 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 5 148.35 237.34 31.09 2.13E-03 20 -1.05E-07 -1.67E-07 1.91E-07 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 10 148.4 262.79 37.26 4.66E-03 20 -4.94E-08 -3.99E-07 4.90E-07 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 15 148.45 36.87 37.12 2.09E-02 20 1.42E-06 1.09E-06 2.19E-06 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 20 148.5 81.2 57.66 5.55E-02 20 4.82E-07 3.19E-06 8.14E-06 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 25 148.55 241.51 52.72 4.88E-02 20 -1.50E-06 -2.82E-06 6.74E-06 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 30 148.6 213.95 70.76 1.96E-02 20 -5.69E-07 -3.92E-07 3.21E-06 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 35 148.65 131.48 40.2 7.21E-03 20 -3.87E-07 4.47E-07 8.07E-07 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 40 148.7 8.04 55.59 2.52E-03 20 1.49E-07 2.16E-08 3.60E-07 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 45 148.75 327.19 79.61 1.88E-03 20 3.02E-08 -1.99E-08 3.20E-07 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 50 148.8 239.46 61.75 1.52E-03 20 -3.88E-08 -6.73E-08 2.32E-07 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 55 148.85 152.04 79.98 7.61E-04 20 -1.24E-08 6.73E-09 1.30E-07 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 60 148.9 106.04 78.87 5.49E-04 20 -3.11E-09 1.10E-08 9.35E-08 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 65 148.95 26.62 59.77 8.91E-04 20 4.25E-08 2.18E-08 1.33E-07 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 70 149 355.92 54.97 1.61E-03 20 9.76E-08 -7.13E-09 2.28E-07 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 75 149.05 250.26 71.96 1.78E-03 20 -1.97E-08 -5.62E-08 2.93E-07 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 80 149.1 192.19 52.23 1.20E-03 20 -7.64E-08 -1.69E-08 1.65E-07 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 85 149.15 33.12 37.68 2.44E-03 20 1.72E-07 1.14E-07 2.59E-07 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 90 149.2 8.77 71.34 4.50E-03 20 1.51E-07 2.38E-08 7.39E-07 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 95 149.25 232.64 34.23 4.35E-03 20 -2.32E-07 -3.10E-07 4.24E-07 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 100 149.3 187.49 67.95 1.07E-03 20 -4.23E-08 -5.68E-09 1.72E-07 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 105 149.35 55.73 64.8 8.89E-04 20 2.26E-08 3.39E-08 1.39E-07 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 110 149.4 39.6 60.78 1.52E-03 20 6.05E-08 5.12E-08 2.29E-07 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 115 149.45 258.18 79.71 1.50E-03 20 -5.81E-09 -2.84E-08 2.55E-07 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 120 149.5 150.22 74.82 1.24E-03 20 -2.99E-08 1.75E-08 2.08E-07 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 125 149.55 154.05 77.87 9.33E-04 20 -1.87E-08 9.31E-09 1.58E-07 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 130 149.6 244.15 58.47 6.33E-04 20 -1.53E-08 -3.23E-08 9.36E-08 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 135 149.65 257.15 73.17 2.60E-04 20 -1.78E-09 -7.96E-09 4.31E-08 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 140 149.7 14.88 46.77 4.63E-04 20 3.25E-08 8.83E-09 5.85E-08 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 145 149.75 65.04 73.77 6.97E-04 20 8.71E-09 1.91E-08 1.16E-07 03/12/97 Yes Yes 2188 172 1061 C 17 H 1 150 149.8 179.5 54.18 4.77E-04 20 -2.96E-08 2.64E-10 6.70E-08 03/12/97 Yes Yes 2188 172 1061 C 17 H 2 0 149.8 41.93 47.38 1.23E-04 20 6.55E-09 6.01E-09 1.56E-08 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 5 149.85 130.97 65.85 2.36E-04 20 -6.72E-09 7.91E-09 3.73E-08 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 10 149.9 160.03 57.11 2.18E-04 20 -1.18E-08 4.38E-09 3.17E-08 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 15 149.95 135.24 49.12 1.57E-04 20 -7.73E-09 7.83E-09 2.05E-08 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 20 150 129.91 26.63 9.32E-05 20 -5.67E-09 6.93E-09 7.24E-09 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 25 150.05 330.65 -19.18 7.97E-05 20 6.96E-09 -4.00E-09 -4.54E-09 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 30 150.1 326.88 -23.15 4.45E-04 20 3.63E-08 -2.42E-08 -3.03E-08 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 35 150.15 322.53 -15.85 9.26E-04 20 7.50E-08 -5.88E-08 -4.38E-08 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 40 150.2 304.25 -12.82 9.19E-04 20 5.35E-08 -8.03E-08 -3.54E-08 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 45 150.25 307.63 -16.85 7.83E-04 20 4.86E-08 -6.44E-08 -3.94E-08 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 50 150.3 297.95 -7.47 1.55E-03 20 7.66E-08 -1.48E-07 -3.51E-08 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 55 150.35 304.73 8.99 1.21E-03 20 7.23E-08 -1.07E-07 3.28E-08 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 60 150.4 337.12 10.48 4.96E-04 20 4.76E-08 -2.05E-08 1.56E-08 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 65 150.45 330.34 -12.92 9.02E-04 20 8.11E-08 -4.72E-08 -3.50E-08 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 70 150.5 306.75 -27.57 1.17E-03 20 6.61E-08 -9.05E-08 -9.42E-08 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 75 150.55 311.72 -25.7 2.27E-03 20 1.44E-07 -1.66E-07 -1.71E-07 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 80 150.6 326.18 -22.09 2.35E-03 20 1.92E-07 -1.31E-07 -1.53E-07 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 85 150.65 341.74 -28.97 1.29E-03 20 1.13E-07 -3.83E-08 -1.08E-07 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 90 150.7 19.77 -29.11 1.15E-03 20 1.00E-07 3.68E-08 -9.69E-08 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 95 150.75 31.17 -12.34 1.15E-03 20 1.02E-07 6.33E-08 -4.28E-08 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 100 150.8 2.98 28.59 1.05E-03 20 9.73E-08 5.18E-09 8.68E-08 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 105 150.85 312.01 63.53 8.90E-04 20 2.82E-08 -3.20E-08 1.38E-07 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 110 150.9 203.88 85.12 4.53E-04 20 -3.74E-09 -1.69E-09 7.83E-08 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 115 150.95 10.37 81.95 3.36E-04 20 4.90E-09 9.18E-10 5.76E-08 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 120 151 288.27 82.54 3.04E-04 20 1.31E-09 -4.07E-09 5.23E-08 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 125 151.05 7.05 79.61 2.89E-04 20 5.48E-09 6.93E-10 4.92E-08 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 130 151.1 99.56 81.13 2.96E-04 20 -8.05E-10 4.89E-09 5.07E-08 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 135 151.15 350.07 78.73 3.99E-04 20 8.15E-09 -1.46E-09 6.78E-08 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 140 151.2 322.75 71.19 5.06E-04 20 1.38E-08 -1.07E-08 8.30E-08 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 145 151.25 322.37 57.88 3.68E-04 20 1.64E-08 -1.30E-08 5.40E-08 03/12/97 Yes Yes 2190 172 1061 C 17 H 2 150 151.3 323.53 35.79 1.62E-04 20 1.12E-08 -8.47E-09 1.64E-08 03/12/97 Yes Yes 2190 172 1061 C 17 H 3 0 151.3 352.55 -16.07 1.10E-04 20 1.11E-08 -1.49E-09 -5.28E-09 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 5 151.35 328.22 -4.75 3.74E-04 20 3.36E-08 -2.13E-08 -5.37E-09 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 10 151.4 317.86 -8.61 5.25E-04 20 4.08E-08 -3.78E-08 -1.36E-08 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 15 151.45 309.88 -3.5 3.66E-04 20 2.49E-08 -3.04E-08 -3.88E-09 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 20 151.5 309.89 7.07 3.78E-04 20 2.55E-08 -3.12E-08 8.07E-09 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 25 151.55 321.27 4.94 6.84E-04 20 5.64E-08 -4.63E-08 1.02E-08 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 30 151.6 329.9 -5.48 1.25E-03 20 1.14E-07 -6.76E-08 -2.07E-08 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 35 151.65 331.04 -9.61 1.48E-03 20 1.35E-07 -7.67E-08 -4.29E-08 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 40 151.7 316.93 -9.41 1.76E-03 20 1.35E-07 -1.29E-07 -5.00E-08 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 45 151.75 317.04 -4.96 1.64E-03 20 1.27E-07 -1.21E-07 -2.46E-08 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 50 151.8 323.76 -10.66 2.19E-03 20 1.84E-07 -1.38E-07 -7.03E-08 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 55 151.85 323.75 -12.08 2.52E-03 20 2.11E-07 -1.58E-07 -9.14E-08 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 60 151.9 327.31 -14.69 1.57E-03 20 1.36E-07 -8.92E-08 -6.92E-08 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 65 151.95 339.01 -10.34 1.27E-03 20 1.24E-07 -4.87E-08 -3.97E-08 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 70 152 333.85 -5.54 1.36E-03 20 1.29E-07 -6.48E-08 -2.28E-08 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 75 152.05 344.28 -19.28 9.76E-04 20 9.40E-08 -2.71E-08 -5.58E-08 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 80 152.1 355.89 -18.75 1.71E-03 20 1.72E-07 -1.26E-08 -9.55E-08 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 85 152.15 349.01 -6.78 1.57E-03 20 1.62E-07 -3.22E-08 -3.21E-08 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 90 152.2 332.91 -9.77 1.43E-03 20 1.33E-07 -6.97E-08 -4.21E-08 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 95 152.25 324.31 -10.39 2.56E-03 20 2.17E-07 -1.59E-07 -8.01E-08 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 100 152.3 312.56 -13.34 2.50E-03 20 1.74E-07 -1.94E-07 -9.99E-08 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 105 152.35 304.59 -15.56 2.78E-03 20 1.61E-07 -2.39E-07 -1.29E-07 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 110 152.4 304.25 -11.11 2.47E-03 20 1.45E-07 -2.17E-07 -8.25E-08 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 115 152.45 309.42 -2.56 1.88E-03 20 1.26E-07 -1.57E-07 -1.45E-08 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 120 152.5 303.53 18.6 1.23E-03 20 6.83E-08 -1.05E-07 6.81E-08 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 125 152.55 279.67 33.15 1.29E-03 20 1.93E-08 -1.15E-07 1.22E-07 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 130 152.6 305.1 70.42 9.13E-04 20 1.87E-08 -2.72E-08 1.49E-07 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 135 152.65 43.38 54.06 1.50E-03 20 6.76E-08 6.54E-08 2.10E-07 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 140 152.7 5.99 66.09 1.87E-03 20 7.99E-08 8.58E-09 2.96E-07 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 145 152.75 302.93 44.99 2.38E-03 20 9.71E-08 -1.53E-07 2.92E-07 03/12/97 Yes Yes 2192 172 1061 C 17 H 3 150 152.8 308.78 36.37 1.87E-03 20 9.98E-08 -1.27E-07 1.92E-07 03/12/97 Yes Yes 2192 172 1061 C 17 H 4 0 152.8 343.24 6.73 1.94E-03 20 1.96E-07 -6.03E-08 3.95E-08 03/12/97 Yes Yes 2196 172 1061 C 17 H 4 5 152.85 348.23 2.94 4.01E-03 20 4.15E-07 -8.85E-08 3.56E-08 03/12/97 Yes Yes 2196 172 1061 C 17 H 4 10 152.9 352.55 -15.74 3.46E-03 20 3.51E-07 -4.68E-08 -1.63E-07 03/12/97 Yes Yes 2196 172 1061 C 17 H 4 15 152.95 346.4 -24.93 3.35E-03 20 3.13E-07 -7.74E-08 -2.45E-07 03/12/97 Yes Yes 2196 172 1061 C 17 H 4 20 153 336.13 -18.4 4.61E-03 20 4.24E-07 -1.92E-07 -2.52E-07 03/12/97 Yes Yes 2196 172 1061 C 17 H 4 25 153.05 332.61 -15.27 6.24E-03 20 5.67E-07 -3.00E-07 -2.85E-07 03/12/97 Yes Yes 2196 172 1061 C 17 H 4 30 153.1 335.34 -24.82 5.62E-03 20 4.92E-07 -2.31E-07 -4.09E-07 03/12/97 Yes Yes 2196 172 1061 C 17 H 4 35 153.15 332.26 -36.64 6.89E-03 20 5.19E-07 -2.79E-07 -7.13E-07 03/12/97 Yes Yes 2196 172 1061 C 17 H 4 40 153.2 318.97 -31.61 9.92E-03 20 6.76E-07 -6.01E-07 -9.01E-07 03/12/97 Yes Yes 2196 172 1061 C 17 H 4 45 153.25 312.9 -28.05 1.41E-02 20 8.99E-07 -9.89E-07 -1.15E-06 03/12/97 Yes Yes 2196 172 1061 C 17 H 4 50 153.3 316.59 -34.18 1.27E-02 20 8.11E-07 -7.84E-07 -1.24E-06 03/12/97 Yes Yes 2196 172 1061 C 17 H 4 55 153.35 329.37 -41.14 1.02E-02 20 7.01E-07 -4.24E-07 -1.16E-06 03/12/97 Yes Yes 2196 172 1061 C 17 H 4 60 153.4 339.32 -39.43 9.94E-03 20 7.62E-07 -2.94E-07 -1.09E-06 03/12/97 Yes Yes 2196 172 1061 C 17 H 4 65 153.45 344.39 -36.04 1.27E-02 20 1.05E-06 -2.99E-07 -1.29E-06 03/12/97 Yes Yes 2196 172 1061 C 17 H 4 70 153.5 333.75 -44.82 1.36E-02 20 9.15E-07 -4.61E-07 -1.66E-06 03/12/97 Yes Yes 2196 172 1061 C 17 H 4 75 153.55 313.43 -44.06 1.62E-02 20 8.50E-07 -9.18E-07 -1.96E-06 03/12/97 Yes Yes 2196 172 1061 C 17 H 4 80 153.6 311.84 -42.33 1.45E-02 20 7.57E-07 -8.65E-07 -1.69E-06 03/12/97 Yes Yes 2196 172 1061 C 17 H 4 85 153.65 312.97 -39.28 1.36E-02 20 7.61E-07 -8.35E-07 -1.49E-06 03/12/97 Yes Yes 2196 172 1061 C 17 H 4 90 153.7 318.56 -35.02 1.71E-02 20 1.11E-06 -1.00E-06 -1.70E-06 03/12/97 Yes Yes 2196 172 1061 C 17 H 4 95 153.75 324.33 -37.38 1.52E-02 20 1.04E-06 -7.62E-07 -1.60E-06 03/12/97 Yes Yes 2196 172 1061 C 17 H 4 100 153.8 317.3 -45.7 1.25E-02 20 6.78E-07 -6.40E-07 -1.55E-06 03/12/97 Yes Yes 2196 172 1061 C 17 H 4 105 153.85 315.95 -38.43 1.70E-02 20 1.01E-06 -1.00E-06 -1.83E-06 03/12/97 Yes Yes 2196 172 1061 C 17 H 4 110 153.9 312.7 -37.43 1.47E-02 20 8.42E-07 -9.33E-07 -1.55E-06 03/12/97 Yes Yes 2196 172 1061 C 17 H 4 115 153.95 306.6 -41.79 1.07E-02 20 5.04E-07 -6.94E-07 -1.23E-06 03/12/97 Yes Yes 2196 172 1061 C 17 H 4 120 154 319.36 -44.92 8.11E-03 20 4.62E-07 -4.06E-07 -9.93E-07 03/12/97 Yes Yes 2196 172 1061 C 17 H 4 125 154.05 326.18 -35.86 1.22E-02 20 8.75E-07 -5.99E-07 -1.24E-06 03/12/97 Yes Yes 2196 172 1061 C 17 H 4 130 154.1 330.95 -29.63 1.25E-02 20 1.01E-06 -5.72E-07 -1.07E-06 03/12/97 Yes Yes 2196 172 1061 C 17 H 5 0 154.1 61.26 -56.11 6.45E-03 20 1.83E-07 3.42E-07 -9.28E-07 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 5 154.15 48.01 -36.21 1.59E-02 20 9.12E-07 1.04E-06 -1.63E-06 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 10 154.2 44.82 -30.15 1.85E-02 20 1.21E-06 1.22E-06 -1.61E-06 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 15 154.25 41.09 -31.75 1.36E-02 20 9.24E-07 8.24E-07 -1.24E-06 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 20 154.3 47.5 -37.3 8.54E-03 20 4.87E-07 5.43E-07 -8.97E-07 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 25 154.35 46.86 -35.98 9.15E-03 20 5.37E-07 5.86E-07 -9.32E-07 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 30 154.4 41.64 -37.57 8.78E-03 20 5.52E-07 5.02E-07 -9.29E-07 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 35 154.45 35.97 -28.53 8.86E-03 20 6.69E-07 4.96E-07 -7.34E-07 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 40 154.5 31.89 -22.06 3.80E-03 20 3.18E-07 2.02E-07 -2.48E-07 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 45 154.55 343.39 -7.97 6.95E-04 20 7.00E-08 -2.13E-08 -1.67E-08 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 50 154.6 351.22 13.76 1.97E-03 20 2.01E-07 -3.17E-08 8.14E-08 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 55 154.65 17.9 61.56 2.41E-03 20 1.16E-07 3.82E-08 3.67E-07 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 60 154.7 52.05 56.88 2.94E-03 20 1.05E-07 1.37E-07 4.27E-07 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 65 154.75 67.65 11.13 5.01E-03 20 1.98E-07 4.93E-07 1.68E-07 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 70 154.8 77.27 24.56 3.37E-03 20 7.16E-08 3.24E-07 2.43E-07 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 75 154.85 263.5 31.61 1.81E-03 20 -1.85E-08 -1.66E-07 1.64E-07 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 80 154.9 74.98 -32.93 1.19E-03 20 2.75E-08 1.05E-07 -1.12E-07 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 85 154.95 75.1 -44.49 1.31E-03 20 2.55E-08 9.82E-08 -1.60E-07 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 90 155 62.74 -22.53 1.20E-03 20 5.37E-08 1.07E-07 -7.95E-08 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 95 155.05 35.96 -15.15 1.41E-03 20 1.17E-07 8.68E-08 -6.40E-08 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 100 155.1 39.26 -8.67 2.07E-03 20 1.68E-07 1.40E-07 -5.41E-08 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 105 155.15 92.92 7.19 4.81E-03 20 -2.58E-08 5.17E-07 1.04E-07 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 110 155.2 101.53 40.53 9.35E-03 20 -1.51E-07 7.55E-07 1.05E-06 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 115 155.25 284.96 27.36 8.57E-03 20 2.08E-07 -7.98E-07 6.83E-07 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 120 155.3 66.33 26.04 1.53E-03 20 5.84E-08 1.36E-07 1.16E-07 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 125 155.35 53.64 56.71 1.48E-03 20 5.12E-08 7.12E-08 2.15E-07 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 130 155.4 77.02 7.22 8.72E-04 20 2.06E-08 9.15E-08 1.90E-08 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 135 155.45 75.17 22.53 9.53E-04 20 2.39E-08 9.23E-08 6.33E-08 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 140 155.5 24.73 12.88 4.66E-04 20 4.38E-08 2.06E-08 1.80E-08 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 145 155.55 36.48 6.58 4.20E-04 20 3.56E-08 2.69E-08 8.34E-09 03/12/97 Yes Yes 2198 172 1061 C 17 H 5 150 155.6 32.91 -0.47 1.86E-04 20 1.66E-08 1.10E-08 -2.66E-10 03/12/97 Yes Yes 2198 172 1061 C 17 H 6 0 155.6 33.6 1.19 8.29E-05 20 7.32E-09 4.97E-09 2.99E-10 03/12/97 Yes Yes 2202 172 1061 C 17 H 6 5 155.65 38.03 5.59 4.37E-04 20 3.64E-08 2.91E-08 7.38E-09 03/12/97 Yes Yes 2202 172 1061 C 17 H 6 10 155.7 39.84 12.17 5.37E-04 20 4.28E-08 3.65E-08 1.96E-08 03/12/97 Yes Yes 2202 172 1061 C 17 H 6 15 155.75 31.74 22.68 3.94E-04 20 3.28E-08 2.07E-08 2.63E-08 03/12/97 Yes Yes 2202 172 1061 C 17 H 6 20 155.8 29.81 29.28 3.38E-04 20 2.72E-08 1.59E-08 2.87E-08 03/12/97 Yes Yes 2202 172 1061 C 17 H 6 25 155.85 39.42 26.18 3.59E-04 20 2.64E-08 2.22E-08 2.75E-08 03/12/97 Yes Yes 2202 172 1061 C 17 H 6 30 155.9 42.84 22.8 3.73E-04 20 2.67E-08 2.53E-08 2.50E-08 03/12/97 Yes Yes 2202 172 1061 C 17 H 6 35 155.95 43.66 19.8 3.18E-04 20 2.30E-08 2.24E-08 1.87E-08 03/12/97 Yes Yes 2202 172 1061 C 17 H 6 40 156 32.33 16.76 2.32E-04 20 1.99E-08 1.29E-08 1.16E-08 03/12/97 Yes Yes 2202 172 1061 C 17 H 6 45 156.05 30.13 22.26 2.35E-04 20 2.00E-08 1.19E-08 1.55E-08 03/12/97 Yes Yes 2202 172 1061 C 17 H 6 50 156.1 59.8 19.95 2.60E-04 20 1.30E-08 2.29E-08 1.54E-08 03/12/97 Yes Yes 2202 172 1061 C 17 H 6 55 156.15 80.64 9.29 2.64E-04 20 4.49E-09 2.78E-08 7.37E-09 03/12/97 Yes Yes 2202 172 1061 C 17 H 6 60 156.2 87.24 -1.29 2.19E-04 20 1.12E-09 2.38E-08 -8.56E-10 03/12/97 Yes Yes 2202 172 1061 C 17 H 6 65 156.25 83.22 -8.71 2.19E-04 20 2.71E-09 2.33E-08 -5.75E-09 03/12/97 Yes Yes 2202 172 1061 C 17 H 6 70 156.3 82.56 -14.2 1.98E-04 20 2.64E-09 2.07E-08 -8.44E-09 03/12/97 Yes Yes 2202 172 1061 C 17 H 6 75 156.35 62.03 -8.64 2.09E-04 20 1.03E-08 1.98E-08 -5.44E-09 03/12/97 Yes Yes 2202 172 1061 C 17 H 6 80 156.4 52.21 6.5 2.20E-04 20 1.42E-08 1.87E-08 4.32E-09 03/12/97 Yes Yes 2202 172 1061 C 17 H 6 85 156.45 69.35 -3.82 2.19E-04 20 8.17E-09 2.22E-08 -2.53E-09 03/12/97 Yes Yes 2202 172 1061 C 17 H 6 90 156.5 63.57 -12.31 1.72E-04 20 7.93E-09 1.63E-08 -6.35E-09 03/12/97 Yes Yes 2202 172 1061 C 17 H 6 95 156.55 67.08 -9.31 1.52E-04 20 6.20E-09 1.50E-08 -4.26E-09 03/12/97 Yes Yes 2202 172 1061 C 17 H 6 100 156.6 65.11 -8.76 1.44E-04 20 6.35E-09 1.40E-08 -3.81E-09 03/12/97 Yes Yes 2202 172 1061 C 17 H 6 105 156.65 68.51 -9.88 1.56E-04 20 5.97E-09 1.55E-08 -4.64E-09 03/12/97 Yes Yes 2202 172 1061 C 17 H 6 110 156.7 75.93 -24.93 1.15E-04 20 2.68E-09 1.09E-08 -8.38E-09 03/12/97 Yes Yes 2202 172 1061 C 17 H 6 115 156.75 326.36 -25.59 1.01E-04 20 8.02E-09 -5.45E-09 -7.54E-09 03/12/97 Yes Yes 2202 172 1061 C 17 H 6 120 156.8 344.69 22.82 7.99E-05 20 7.54E-09 -2.11E-09 5.38E-09 03/12/97 Yes Yes 2202 172 1061 C 17 H 6 125 156.85 18.63 51.67 7.67E-05 20 4.78E-09 1.65E-09 1.04E-08 03/12/97 Yes Yes 2202 172 1061 C 17 H 6 130 156.9 23.87 46.69 9.96E-05 20 6.63E-09 3.00E-09 1.26E-08 03/12/97 Yes Yes 2202 172 1061 C 17 H 6 135 156.95 22.59 44.84 1.28E-04 20 8.91E-09 3.79E-09 1.57E-08 03/12/97 Yes Yes 2202 172 1061 C 17 H 6 140 157 41.81 18.49 2.54E-04 20 1.90E-08 1.74E-08 1.40E-08 03/12/97 Yes Yes 2202 172 1061 C 17 H 6 145 157.05 47.84 22.62 1.86E-04 20 1.22E-08 1.38E-08 1.24E-08 03/12/97 Yes Yes 2202 172 1061 C 17 H 7 0 157.1 39.98 8.82 3.57E-05 20 2.87E-09 2.46E-09 9.50E-10 03/12/97 Yes Yes 2205 172 1061 C 17 H 7 5 157.15 59.14 13.2 1.60E-04 20 8.48E-09 1.45E-08 6.34E-09 03/12/97 Yes Yes 2205 172 1061 C 17 H 7 10 157.2 54.13 16.24 1.29E-04 20 7.72E-09 1.09E-08 6.27E-09 03/12/97 Yes Yes 2205 172 1061 C 17 H 7 15 157.25 42.81 5.57 1.80E-04 20 1.40E-08 1.32E-08 3.03E-09 03/12/97 Yes Yes 2205 172 1061 C 17 H 7 20 157.3 45.52 9.25 1.52E-04 20 1.11E-08 1.16E-08 4.22E-09 03/12/97 Yes Yes 2205 172 1061 C 17 H 7 25 157.35 48.47 8.68 1.36E-04 20 9.49E-09 1.10E-08 3.57E-09 03/12/97 Yes Yes 2205 172 1061 C 17 H 7 30 157.4 62.11 8.76 1.86E-04 20 9.12E-09 1.76E-08 4.91E-09 03/12/97 Yes Yes 2205 172 1061 C 17 H 7 35 157.45 49.47 9.15 1.53E-04 20 1.04E-08 1.24E-08 4.21E-09 03/12/97 Yes Yes 2205 172 1061 C 17 H 7 40 157.5 56.26 5.51 1.93E-04 20 1.13E-08 1.73E-08 3.21E-09 03/12/97 Yes Yes 2205 172 1061 C 17 H 7 45 157.55 61.53 4.96 2.11E-04 20 1.06E-08 2.00E-08 3.16E-09 03/12/97 Yes Yes 2205 172 1061 C 17 H 7 50 157.6 98.32 12.16 1.72E-04 20 -2.57E-09 1.80E-08 6.27E-09 03/12/97 Yes Yes 2205 172 1061 C 17 H 7 55 157.65 112.3 3.76 1.96E-04 20 -7.88E-09 1.96E-08 2.23E-09 03/12/97 Yes Yes 2205 172 1061 C 17 H 7 60 157.7 75.95 -11.02 1.40E-04 20 3.53E-09 1.44E-08 -4.64E-09 03/12/97 Yes Yes 2205 172 1061 C 17 H 7 65 157.75 61.83 -15.01 1.49E-04 20 7.19E-09 1.37E-08 -6.67E-09 03/12/97 Yes Yes 2205 172 1061 C 17 H 7 70 157.8 56.13 -10.32 1.97E-04 20 1.15E-08 1.75E-08 -6.13E-09 03/12/97 Yes Yes 2205 172 1061 C 17 H 7 75 157.85 48.88 7.67 1.82E-04 20 1.26E-08 1.47E-08 4.21E-09 03/12/97 Yes Yes 2205 172 1061 C 17 H 7 80 157.9 81.52 61.61 8.38E-05 20 6.23E-10 4.27E-09 1.28E-08 03/12/97 Yes Yes 2205 172 1061 C 18 H 1 0 157.8 240.11 -1.74 7.88E-05 20 -4.16E-09 -7.40E-09 -4.15E-10 03/12/97 Yes Yes 2208 172 1061 C 18 H 1 5 157.85 245.47 7.83 3.11E-04 20 -1.36E-08 -3.04E-08 7.35E-09 03/12/97 Yes Yes 2208 172 1061 C 18 H 1 10 157.9 236.18 21.83 2.93E-04 20 -1.60E-08 -2.45E-08 1.89E-08 03/12/97 Yes Yes 2208 172 1061 C 18 H 1 15 157.95 22.06 60.85 3.64E-04 20 1.74E-08 7.23E-09 5.51E-08 03/12/97 Yes Yes 2208 172 1061 C 18 H 1 20 158 330.67 75.18 5.14E-04 20 1.21E-08 -6.98E-09 8.61E-08 03/12/97 Yes Yes 2208 172 1061 C 18 H 1 25 158.05 200.85 53.3 7.86E-04 20 -4.66E-08 -1.81E-08 1.09E-07 03/12/97 Yes Yes 2208 172 1061 C 18 H 1 30 158.1 162.71 15.44 7.88E-04 20 -7.69E-08 2.45E-08 3.64E-08 03/12/97 Yes Yes 2208 172 1061 C 18 H 1 35 158.15 165.33 6.53 4.25E-04 20 -4.33E-08 1.16E-08 8.38E-09 03/12/97 Yes Yes 2208 172 1061 C 18 H 1 40 158.2 172.67 4.26 2.06E-04 20 -2.16E-08 2.85E-09 2.66E-09 03/12/97 Yes Yes 2208 172 1061 C 18 H 1 45 158.25 168.26 6.29 3.03E-04 20 -3.13E-08 6.64E-09 5.76E-09 03/12/97 Yes Yes 2208 172 1061 C 18 H 1 50 158.3 184.96 6.7 1.76E-04 20 -1.85E-08 -1.64E-09 3.56E-09 03/12/97 Yes Yes 2208 172 1061 C 18 H 1 55 158.35 178.28 29.05 8.38E-05 20 -7.77E-09 2.39E-10 7.06E-09 03/12/97 Yes Yes 2208 172 1061 C 18 H 1 60 158.4 9.06 20.9 1.04E-04 20 1.01E-08 1.65E-09 6.40E-09 03/12/97 Yes Yes 2208 172 1061 C 18 H 1 65 158.45 353.71 22.21 1.52E-04 20 1.48E-08 -1.67E-09 9.96E-09 03/12/97 Yes Yes 2208 172 1061 C 18 H 1 70 158.5 189.05 -1.69 9.56E-04 20 -1.00E-07 -1.63E-08 -4.88E-09 03/12/97 Yes Yes 2208 172 1061 C 18 H 1 75 158.55 196.54 -6.93 1.24E-03 20 -1.26E-07 -3.81E-08 -2.60E-08 03/12/97 Yes Yes 2208 172 1061 C 18 H 1 80 158.6 182.44 -9.29 3.80E-04 20 -3.97E-08 -1.73E-09 -1.06E-08 03/12/97 Yes Yes 2208 172 1061 C 18 H 1 85 158.65 178.15 -7.53 4.59E-04 20 -4.82E-08 1.59E-09 -1.04E-08 03/12/97 Yes Yes 2208 172 1061 C 18 H 1 90 158.7 182.35 0.78 1.15E-04 20 -1.22E-08 -5.14E-10 2.72E-10 03/12/97 Yes Yes 2208 172 1061 C 18 H 1 95 158.75 194.72 5.61 8.70E-05 20 -8.88E-09 -2.39E-09 1.47E-09 03/12/97 Yes Yes 2208 172 1061 C 18 H 1 100 158.8 197.29 -5.36 1.59E-04 20 -1.61E-08 -5.12E-09 -2.58E-09 03/12/97 Yes Yes 2208 172 1061 C 18 H 1 105 158.85 194.12 -2.09 2.81E-04 20 -2.89E-08 -7.44E-09 -1.78E-09 03/12/97 Yes Yes 2208 172 1061 C 18 H 1 110 158.9 201.29 -2.69 3.46E-04 20 -3.41E-08 -1.36E-08 -2.81E-09 03/12/97 Yes Yes 2208 172 1061 C 18 H 1 115 158.95 209.65 4.12 2.39E-04 20 -2.20E-08 -1.28E-08 2.98E-09 03/12/97 Yes Yes 2208 172 1061 C 18 H 1 120 159 213.63 -2.82 3.23E-04 20 -2.85E-08 -1.94E-08 -2.75E-09 03/12/97 Yes Yes 2208 172 1061 C 18 H 1 125 159.05 203.74 -11.06 3.23E-04 20 -3.08E-08 -1.38E-08 -1.07E-08 03/12/97 Yes Yes 2208 172 1061 C 18 H 1 130 159.1 187.81 -11.84 2.78E-04 20 -2.86E-08 -4.02E-09 -9.90E-09 03/12/97 Yes Yes 2208 172 1061 C 18 H 1 135 159.15 184.29 -2.72 2.47E-04 20 -2.60E-08 -2.00E-09 -2.03E-09 03/12/97 Yes Yes 2208 172 1061 C 18 H 1 140 159.2 184.69 6.44 2.07E-04 20 -2.17E-08 -1.82E-09 4.02E-09 03/12/97 Yes Yes 2208 172 1061 C 18 H 2 0 159.21 180.4 0.81 1.15E-04 20 -1.21E-08 -8.64E-11 2.81E-10 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 5 159.26 172.68 1.32 2.98E-04 20 -3.13E-08 4.11E-09 1.19E-09 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 10 159.31 163.21 2.17 3.09E-04 20 -3.13E-08 9.67E-09 2.02E-09 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 15 159.36 172.18 3.55 2.98E-04 20 -3.13E-08 4.39E-09 3.20E-09 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 20 159.41 201.56 8.71 1.90E-04 20 -1.85E-08 -7.48E-09 4.98E-09 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 25 159.46 342.2 44.56 2.49E-04 20 1.79E-08 -5.89E-09 3.03E-08 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 30 159.51 354.32 44.13 5.22E-04 20 3.96E-08 -4.03E-09 6.31E-08 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 35 159.56 8.46 61.12 4.82E-04 20 2.44E-08 3.72E-09 7.32E-08 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 40 159.61 160.94 51.64 5.57E-04 20 -3.47E-08 1.22E-08 7.58E-08 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 45 159.66 171.46 29.62 1.27E-03 20 -1.15E-07 1.77E-08 1.08E-07 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 50 159.71 332.78 47.48 2.80E-03 20 1.78E-07 -9.37E-08 3.57E-07 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 55 159.76 348.91 23.06 1.85E-02 20 1.77E-06 -3.56E-07 1.26E-06 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 60 159.81 5.85 43.44 1.47E-02 20 1.12E-06 1.18E-07 1.75E-06 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 65 159.86 160.47 35.4 3.59E-03 20 -2.93E-07 1.06E-07 3.61E-07 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 70 159.91 206.67 37.55 1.20E-03 20 -8.98E-08 -4.61E-08 1.26E-07 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 75 159.96 334.74 65.27 9.83E-04 20 3.95E-08 -1.90E-08 1.55E-07 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 80 160.01 348.87 52.25 1.20E-03 20 7.64E-08 -1.54E-08 1.64E-07 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 85 160.06 345.54 42.28 1.30E-03 20 9.88E-08 -2.61E-08 1.52E-07 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 90 160.11 348.54 48.72 7.77E-04 20 5.33E-08 -1.11E-08 1.01E-07 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 95 160.16 344.65 84.56 3.41E-04 20 3.30E-09 -9.27E-10 5.88E-08 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 100 160.21 187.17 66.14 3.40E-04 20 -1.45E-08 -1.86E-09 5.38E-08 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 105 160.26 356.03 56.63 6.23E-04 20 3.63E-08 -2.57E-09 9.02E-08 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 110 160.31 27.59 54.23 8.84E-04 20 4.86E-08 2.60E-08 1.24E-07 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 115 160.36 100.94 28.47 1.93E-03 20 -3.42E-08 1.81E-07 1.60E-07 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 120 160.41 249.97 9.24 1.75E-03 20 -6.28E-08 -1.76E-07 4.87E-08 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 125 160.46 279.24 13.6 1.16E-02 20 1.92E-07 -1.21E-06 4.73E-07 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 130 160.51 247.8 66.49 1.82E-03 20 -2.91E-08 -7.31E-08 2.90E-07 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 135 160.56 180.19 30.19 2.24E-03 20 -2.05E-07 -7.10E-10 1.95E-07 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 140 160.61 172.91 38.71 2.02E-03 20 -1.66E-07 2.11E-08 2.19E-07 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 145 160.66 327.92 54.09 5.17E-03 20 2.72E-07 -1.75E-07 7.25E-07 03/12/97 Yes Yes 2211 172 1061 C 18 H 2 150 160.71 73.74 76.74 3.29E-03 20 2.24E-08 7.85E-08 5.54E-07 03/12/97 Yes Yes 2211 172 1061 C 18 H 3 0 160.71 341.19 51.62 8.65E-04 20 5.40E-08 -1.88E-08 1.18E-07 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 5 160.76 348.89 56.54 1.88E-03 20 1.08E-07 -2.17E-08 2.72E-07 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 10 160.81 2.75 76.9 1.72E-03 20 4.12E-08 2.02E-09 2.90E-07 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 15 160.86 345.85 68.81 1.59E-03 20 5.93E-08 -1.53E-08 2.58E-07 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 20 160.91 236.57 66.81 1.70E-03 20 -3.91E-08 -6.06E-08 2.71E-07 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 25 160.96 187.38 18.97 3.73E-03 20 -3.71E-07 -4.92E-08 2.10E-07 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 30 161.01 47.91 46.19 5.47E-03 20 2.69E-07 3.05E-07 6.85E-07 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 35 161.06 6.11 61.21 9.06E-03 20 4.60E-07 5.04E-08 1.38E-06 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 40 161.11 206.64 38.33 3.99E-03 20 -2.97E-07 -1.52E-07 4.29E-07 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 45 161.16 206.1 30.13 2.50E-03 20 -2.06E-07 -1.03E-07 2.18E-07 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 50 161.21 165.37 22.21 2.74E-03 20 -2.61E-07 6.96E-08 1.80E-07 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 55 161.26 146 7.56 3.93E-03 20 -3.42E-07 2.36E-07 8.96E-08 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 60 161.31 127.37 1.3 1.11E-02 20 -7.16E-07 9.58E-07 4.38E-08 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 65 161.36 139.01 -9.31 1.43E-02 20 -1.13E-06 1.01E-06 -4.02E-07 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 70 161.41 283.86 2.19 1.17E-01 20 2.98E-06 -1.23E-05 7.76E-07 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 75 161.46 344.82 44.13 7.46E-02 20 5.48E-06 -1.52E-06 9.01E-06 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 80 161.51 41.97 38.1 1.25E-01 20 7.74E-06 7.12E-06 1.33E-05 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 85 161.56 249.74 65.9 6.18E-02 20 -9.27E-07 -2.57E-06 9.78E-06 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 90 161.61 192.37 36.4 2.01E-02 20 -1.68E-06 -3.77E-07 2.07E-06 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 95 161.66 347.27 11.48 2.39E-02 20 2.42E-06 -5.59E-07 8.24E-07 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 100 161.71 0.91 37.02 2.38E-02 20 2.02E-06 3.28E-08 2.49E-06 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 105 161.76 163.12 23.49 1.10E-02 20 -1.02E-06 3.17E-07 7.58E-07 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 110 161.81 182.32 20.27 8.13E-03 20 -8.08E-07 -3.35E-08 4.88E-07 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 115 161.86 9.27 31.86 1.77E-02 20 1.57E-06 2.62E-07 1.62E-06 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 120 161.91 6.06 39.35 2.48E-02 20 2.02E-06 2.19E-07 2.72E-06 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 125 161.96 148.16 84.38 7.18E-03 20 -6.34E-08 4.02E-08 1.24E-06 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 130 162.01 184.02 30.6 6.07E-03 20 -5.53E-07 -3.97E-08 5.36E-07 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 135 162.06 151.5 38.47 1.91E-03 20 -1.40E-07 7.75E-08 2.06E-07 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 140 162.11 5.78 51.06 2.82E-03 20 1.87E-07 1.94E-08 3.81E-07 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 145 162.16 344.86 49.75 5.66E-03 20 3.74E-07 -1.04E-07 7.48E-07 03/12/97 Yes Yes 2214 172 1061 C 18 H 3 150 162.21 13.15 63.24 4.70E-03 20 2.18E-07 5.22E-08 7.27E-07 03/12/97 Yes Yes 2214 172 1061 C 18 H 4 0 162.21 339.26 8.5 2.70E-02 20 2.65E-06 -1.03E-06 6.92E-07 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 5 162.26 355.56 31.97 2.09E-02 20 1.87E-06 -1.49E-07 1.92E-06 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 10 162.31 120.79 19.88 1.51E-02 20 -7.70E-07 1.32E-06 8.90E-07 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 15 162.36 171.11 19.45 8.63E-03 20 -8.52E-07 1.36E-07 4.98E-07 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 20 162.41 238.8 30.51 4.72E-03 20 -2.23E-07 -3.77E-07 4.15E-07 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 25 162.46 235.67 51.35 3.76E-03 20 -1.41E-07 -2.10E-07 5.09E-07 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 30 162.51 325.13 70.64 5.04E-03 20 1.45E-07 -1.04E-07 8.24E-07 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 35 162.56 358.07 54.52 1.11E-02 20 6.80E-07 -2.34E-08 1.56E-06 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 40 162.61 117.92 71.02 7.40E-03 20 -1.19E-07 2.31E-07 1.21E-06 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 45 162.66 154.08 45.15 4.48E-03 20 -3.01E-07 1.50E-07 5.51E-07 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 50 162.71 142.66 21.77 4.02E-03 20 -3.15E-07 2.46E-07 2.59E-07 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 55 162.76 316.59 3.44 1.52E-02 20 1.17E-06 -1.13E-06 1.58E-07 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 60 162.81 323.16 22.14 3.59E-02 20 2.82E-06 -2.16E-06 2.34E-06 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 65 162.86 348.31 58.7 1.71E-02 20 9.22E-07 -1.95E-07 2.53E-06 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 70 162.91 32.01 46.63 2.57E-02 20 1.59E-06 1.01E-06 3.24E-06 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 75 162.96 11.76 46.3 5.42E-02 20 3.89E-06 8.28E-07 6.80E-06 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 80 163.01 222.07 62.63 2.18E-02 20 -7.87E-07 -7.27E-07 3.35E-06 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 85 163.06 327.37 26.19 1.31E-02 20 1.05E-06 -6.85E-07 9.99E-07 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 90 163.11 329.77 41.98 1.47E-02 20 1.00E-06 -5.97E-07 1.71E-06 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 95 163.16 202.21 50.69 7.24E-03 20 -4.50E-07 -1.88E-07 9.71E-07 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 100 163.21 110.05 48.22 5.22E-03 20 -1.26E-07 3.54E-07 6.74E-07 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 105 163.26 102.91 56.06 3.74E-03 20 -4.95E-08 2.21E-07 5.38E-07 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 110 163.31 191.23 51.97 4.14E-03 20 -2.65E-07 -5.38E-08 5.65E-07 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 115 163.36 140.04 52.75 2.28E-03 20 -1.12E-07 9.63E-08 3.15E-07 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 120 163.41 95.87 26.16 5.00E-03 20 -4.86E-08 4.84E-07 3.82E-07 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 125 163.46 105.68 10.84 1.96E-02 20 -5.52E-07 2.01E-06 6.40E-07 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 130 163.51 106.64 7.9 5.17E-02 20 -1.55E-06 5.32E-06 1.23E-06 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 135 163.56 292.06 7.96 1.15E-01 20 4.54E-06 -1.15E-05 2.76E-06 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 140 163.61 294.51 22.92 5.09E-01 20 2.06E-05 -4.63E-05 3.44E-05 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 145 163.66 80.17 35.33 1.90E-01 20 2.81E-06 1.66E-05 1.91E-05 03/12/97 Yes Yes 2217 172 1061 C 18 H 4 150 163.71 112.7 20.63 4.54E-02 20 -1.74E-06 4.25E-06 2.78E-06 03/12/97 Yes Yes 2217 172 1061 C 18 H 5 0 163.71 34.79 28.19 1.33E-02 20 1.02E-06 7.28E-07 1.09E-06 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 5 163.76 344.27 53.64 1.39E-02 20 8.39E-07 -2.42E-07 1.94E-06 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 10 163.81 350.17 30.58 9.30E-03 20 8.37E-07 -1.48E-07 8.20E-07 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 15 163.86 207.95 21.19 1.54E-02 20 -1.35E-06 -7.31E-07 9.66E-07 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 20 163.91 255.29 62.46 1.61E-02 20 -2.00E-07 -7.80E-07 2.47E-06 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 25 163.96 35.19 22.24 1.94E-01 20 1.56E-05 1.12E-05 1.27E-05 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 30 164.01 15.1 48.99 1.16E-01 20 7.81E-06 2.15E-06 1.52E-05 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 35 164.06 238.23 40.94 3.27E-02 20 -1.38E-06 -2.28E-06 3.72E-06 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 40 164.11 182.05 47.79 1.08E-02 20 -7.67E-07 -2.80E-08 1.38E-06 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 45 164.16 158.89 8.84 3.83E-03 20 -3.74E-07 1.48E-07 1.02E-07 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 50 164.21 343.18 16.06 1.43E-02 20 1.39E-06 -4.30E-07 6.84E-07 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 55 164.26 337.27 52.27 8.12E-03 20 4.86E-07 -2.08E-07 1.11E-06 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 60 164.31 319.45 53.33 1.01E-02 20 4.88E-07 -4.27E-07 1.41E-06 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 65 164.36 88.04 75.89 1.15E-02 20 1.02E-08 3.04E-07 1.93E-06 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 70 164.41 90.79 55.92 5.65E-03 20 -4.63E-09 3.43E-07 8.11E-07 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 75 164.46 9.65 63.26 3.93E-03 20 1.85E-07 3.22E-08 6.09E-07 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 80 164.51 277.26 76.77 1.98E-03 20 6.09E-09 -4.89E-08 3.35E-07 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 85 164.56 6.92 56.01 3.22E-03 20 1.89E-07 2.35E-08 4.63E-07 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 90 164.61 24.21 67.81 5.93E-03 20 2.17E-07 9.96E-08 9.52E-07 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 95 164.66 331.81 47.49 2.24E-02 20 1.42E-06 -7.76E-07 2.86E-06 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 100 164.71 317.96 61.2 2.43E-02 20 9.21E-07 -8.49E-07 3.69E-06 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 105 164.76 25.35 70.09 9.18E-03 20 3.00E-07 1.45E-07 1.50E-06 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 110 164.81 0.53 48.22 7.11E-03 20 5.02E-07 4.79E-09 9.19E-07 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 115 164.86 2.79 62.7 3.70E-03 20 1.80E-07 8.96E-09 5.70E-07 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 120 164.91 170.29 67.44 1.61E-03 20 -6.45E-08 1.13E-08 2.57E-07 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 125 164.96 355.01 61.59 1.72E-03 20 8.67E-08 -7.74E-09 2.63E-07 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 130 165.01 357.21 32.73 4.99E-03 20 4.44E-07 -2.21E-08 4.67E-07 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 135 165.06 347.54 53.17 3.82E-03 20 2.37E-07 -5.36E-08 5.30E-07 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 140 165.11 217.55 71.93 2.30E-03 20 -6.00E-08 -4.72E-08 3.79E-07 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 145 165.16 127.62 30.33 2.78E-03 20 -1.55E-07 2.06E-07 2.43E-07 03/12/97 Yes Yes 2220 172 1061 C 18 H 5 150 165.21 110.16 -65.52 1.02E-03 20 -1.54E-08 4.30E-08 -1.61E-07 03/12/97 Yes Yes 2220 172 1061 C 18 H 6 0 165.21 160.05 9.59 2.82E-03 20 -2.77E-07 1.03E-07 8.13E-08 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 5 165.26 113.16 14.32 1.39E-02 20 -5.60E-07 1.34E-06 5.94E-07 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 10 165.31 39.63 48.88 1.83E-02 20 9.82E-07 8.31E-07 2.39E-06 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 15 165.36 310.95 14.79 1.19E-01 20 8.03E-06 -9.46E-06 5.28E-06 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 20 165.41 318.63 35.99 1.03E-01 20 6.61E-06 -5.95E-06 1.05E-05 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 25 165.46 145.61 41.76 2.51E-02 20 -1.64E-06 1.15E-06 2.89E-06 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 30 165.51 143.32 11.59 9.11E-03 20 -7.59E-07 5.78E-07 3.17E-07 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 35 165.56 186.78 -2.38 3.30E-03 20 -3.47E-07 -4.22E-08 -2.37E-08 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 40 165.61 63.59 -1.77 1.27E-02 20 5.98E-07 1.23E-06 -6.81E-08 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 45 165.66 62.84 25.65 1.68E-02 20 7.31E-07 1.46E-06 1.26E-06 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 50 165.71 279.23 40.25 1.06E-02 20 1.37E-07 -8.64E-07 1.18E-06 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 55 165.76 353.4 48.54 1.72E-02 20 1.20E-06 -1.42E-07 2.23E-06 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 60 165.81 348.79 26.94 3.65E-02 20 3.38E-06 -6.86E-07 2.87E-06 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 65 165.86 351.37 28.19 9.13E-02 20 8.44E-06 -1.31E-06 7.48E-06 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 70 165.91 3.32 62.93 4.90E-02 20 2.36E-06 1.40E-07 7.57E-06 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 75 165.96 157.49 46.01 1.11E-02 20 -7.52E-07 3.19E-07 1.38E-06 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 80 166.01 44.06 34.44 6.18E-03 20 3.89E-07 3.85E-07 6.06E-07 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 85 166.06 225.92 23.28 5.55E-03 20 -3.76E-07 -3.97E-07 3.80E-07 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 90 166.11 244.44 -6.36 5.20E-03 20 -2.36E-07 -5.05E-07 -9.97E-08 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 95 166.16 47.46 2.37 5.58E-02 20 4.00E-06 4.46E-06 4.00E-07 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 100 166.21 42.76 42.34 2.56E-02 20 1.47E-06 1.39E-06 2.99E-06 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 105 166.26 220.48 73.36 1.92E-02 20 -4.44E-07 -3.87E-07 3.19E-06 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 110 166.31 156.82 10.56 4.46E-02 20 -4.28E-06 1.87E-06 1.42E-06 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 115 166.36 138.29 1.48 8.58E-02 20 -6.79E-06 6.19E-06 3.85E-07 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 120 166.41 329.64 4.58 4.44E-01 20 4.05E-05 -2.43E-05 6.15E-06 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 125 166.46 314.89 23.54 7.04E-01 20 4.83E-05 -4.96E-05 4.87E-05 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 130 166.51 115.04 40.05 1.80E-01 20 -6.18E-06 1.35E-05 2.01E-05 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 135 166.56 126.51 40.66 5.21E-02 20 -2.49E-06 3.45E-06 5.89E-06 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 140 166.61 171.01 34.41 1.89E-02 20 -1.63E-06 2.64E-07 1.85E-06 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 145 166.66 322.08 29.54 1.91E-02 20 1.39E-06 -1.11E-06 1.64E-06 03/12/97 Yes Yes 2223 172 1061 C 18 H 6 150 166.71 30.16 32.11 3.45E-02 20 2.68E-06 1.59E-06 3.18E-06 03/12/97 Yes Yes 2223