Table 11A. Continuous split-core remanent measurements for Hole 1061C before demagnetization (NRM results). 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 70.14 55.52 3.12E-03 0 6.37E-08 1.80E-07 4.46E-07 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 5 0.05 28.97 65.08 1.32E-02 0 5.16E-07 2.92E-07 2.08E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 10 0.1 293.59 62.46 2.60E-02 0 5.11E-07 -1.20E-06 4.00E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 15 0.15 284.85 58.74 3.61E-02 0 5.09E-07 -1.96E-06 5.35E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 20 0.2 290.98 67.64 4.08E-02 0 5.89E-07 -1.57E-06 6.54E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 25 0.25 198.51 73.52 3.80E-02 0 -1.08E-06 -3.71E-07 6.32E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 30 0.3 255.62 80.11 3.36E-02 0 -1.52E-07 -6.05E-07 5.73E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 35 0.35 290.04 76.86 3.78E-02 0 3.13E-07 -8.77E-07 6.39E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 40 0.4 289.59 79.41 4.17E-02 0 2.72E-07 -7.83E-07 7.10E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 45 0.45 277.36 77.56 4.54E-02 0 1.33E-07 -1.05E-06 7.69E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 50 0.5 262.59 77.63 4.42E-02 0 -1.29E-07 -1.02E-06 7.48E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 55 0.55 248.35 76.37 3.81E-02 0 -3.51E-07 -9.04E-07 6.41E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 60 0.6 256.27 77.06 3.44E-02 0 -1.94E-07 -8.12E-07 5.82E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 65 0.65 235.86 76.79 3.51E-02 0 -4.78E-07 -7.21E-07 5.93E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 70 0.7 251.99 64.2 3.72E-02 0 -5.30E-07 -1.67E-06 5.80E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 75 0.75 271.25 64.64 3.89E-02 0 3.86E-08 -1.80E-06 6.09E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 80 0.8 230.54 73.21 2.78E-02 0 -5.42E-07 -6.73E-07 4.62E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 85 0.85 334.58 87.43 2.08E-02 0 8.94E-08 -4.34E-08 3.61E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 90 0.9 300.14 75.9 2.97E-02 0 3.86E-07 -6.80E-07 5.00E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 95 0.95 273.32 69.7 4.30E-02 0 9.17E-08 -1.62E-06 6.99E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 100 1 265.12 67.55 5.25E-02 0 -1.81E-07 -2.17E-06 8.41E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 105 1.05 260.23 67.75 5.16E-02 0 -3.52E-07 -2.09E-06 8.29E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 110 1.1 265.5 70.18 4.39E-02 0 -1.24E-07 -1.61E-06 7.15E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 115 1.15 286.41 71.6 3.86E-02 0 3.65E-07 -1.27E-06 6.34E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 120 1.2 296.47 69.9 3.98E-02 0 6.47E-07 -1.33E-06 6.49E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 125 1.25 275.88 68.88 3.80E-02 0 1.49E-07 -1.48E-06 6.15E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 130 1.3 264.27 70.71 3.47E-02 0 -1.21E-07 -1.24E-06 5.68E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 135 1.35 266.5 68.06 3.38E-02 0 -8.18E-08 -1.37E-06 5.43E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 140 1.4 279.46 64.92 3.63E-02 0 2.68E-07 -1.65E-06 5.70E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 145 1.45 284.2 66.03 3.75E-02 0 3.97E-07 -1.60E-06 5.94E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 1 150 1.5 233.68 69.88 2.61E-02 0 -5.63E-07 -7.83E-07 4.24E-06 03/12/97 Yes Yes 1966 172 1061 C 1 H 2 0 1.5 279.3 66.33 1.70E-02 0 1.17E-07 -7.29E-07 2.69E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 5 1.55 250.76 62 3.59E-02 0 -5.90E-07 -1.73E-06 5.50E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 10 1.6 255.78 62.47 3.99E-02 0 -4.81E-07 -1.94E-06 6.13E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 15 1.65 266.94 65.16 3.88E-02 0 -9.23E-08 -1.76E-06 6.10E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 20 1.7 268.96 65.62 3.93E-02 0 -3.12E-08 -1.76E-06 6.20E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 25 1.75 264.36 63.76 3.97E-02 0 -1.83E-07 -1.90E-06 6.17E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 30 1.8 263.89 62.75 3.87E-02 0 -2.00E-07 -1.91E-06 5.96E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 35 1.85 264.97 61.73 3.82E-02 0 -1.68E-07 -1.96E-06 5.84E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 40 1.9 266.62 61.94 3.72E-02 0 -1.09E-07 -1.89E-06 5.69E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 45 1.95 265.87 60.84 3.70E-02 0 -1.38E-07 -1.95E-06 5.61E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 50 2 265.92 60.14 3.68E-02 0 -1.38E-07 -1.98E-06 5.53E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 55 2.05 266.73 60.53 3.74E-02 0 -1.11E-07 -1.99E-06 5.64E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 60 2.1 260.59 60.56 3.90E-02 0 -3.32E-07 -2.05E-06 5.89E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 65 2.15 253.87 60.7 3.85E-02 0 -5.55E-07 -1.96E-06 5.82E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 70 2.2 258.66 58.52 3.99E-02 0 -4.34E-07 -2.21E-06 5.89E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 75 2.25 257.26 58.71 4.04E-02 0 -4.91E-07 -2.22E-06 5.99E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 80 2.3 255.04 60.74 4.06E-02 0 -5.44E-07 -2.08E-06 6.14E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 85 2.35 251.7 62.03 4.02E-02 0 -6.28E-07 -1.94E-06 6.16E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 90 2.4 249.02 63.22 3.85E-02 0 -6.59E-07 -1.76E-06 5.96E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 95 2.45 250.21 66.9 3.68E-02 0 -5.18E-07 -1.47E-06 5.86E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 100 2.5 254.83 67.69 3.78E-02 0 -3.98E-07 -1.50E-06 6.06E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 105 2.55 251.93 67.19 3.90E-02 0 -4.98E-07 -1.56E-06 6.23E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 110 2.6 247.28 63.99 4.04E-02 0 -7.26E-07 -1.77E-06 6.30E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 115 2.65 246.93 61.4 4.22E-02 0 -8.40E-07 -2.02E-06 6.42E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 120 2.7 246.61 63.13 4.06E-02 0 -7.73E-07 -1.83E-06 6.28E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 125 2.75 246.51 65.43 3.70E-02 0 -6.51E-07 -1.53E-06 5.84E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 130 2.8 255.93 62.07 3.77E-02 0 -4.55E-07 -1.86E-06 5.77E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 135 2.85 258.97 59.08 3.97E-02 0 -4.14E-07 -2.17E-06 5.91E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 140 2.9 256.25 58 3.99E-02 0 -5.33E-07 -2.23E-06 5.87E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 145 2.95 255.71 55.39 4.24E-02 0 -6.31E-07 -2.53E-06 6.06E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 2 150 3 241.79 59.19 3.09E-02 0 -7.94E-07 -1.51E-06 4.60E-06 03/12/97 Yes Yes 1968 172 1061 C 1 H 3 0 3 300.21 64.7 1.31E-02 0 2.98E-07 -5.24E-07 2.05E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 3 5 3.05 267.19 55.63 3.53E-02 0 -1.04E-07 -2.16E-06 5.05E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 3 10 3.1 267.94 60.52 4.05E-02 0 -7.61E-08 -2.16E-06 6.12E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 3 15 3.15 272.64 63.66 4.09E-02 0 8.88E-08 -1.97E-06 6.35E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 3 20 3.2 274.02 66.56 4.01E-02 0 1.18E-07 -1.72E-06 6.37E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 3 25 3.25 270.4 66.08 3.88E-02 0 1.15E-08 -1.71E-06 6.15E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 3 30 3.3 271.52 64.63 3.77E-02 0 4.54E-08 -1.75E-06 5.91E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 3 35 3.35 270.49 65.43 3.69E-02 0 1.39E-08 -1.66E-06 5.81E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 3 40 3.4 269 69.98 3.57E-02 0 -2.27E-08 -1.33E-06 5.82E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 3 45 3.45 267.27 73.57 3.44E-02 0 -4.93E-08 -1.05E-06 5.73E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 3 50 3.5 270.45 72.75 3.51E-02 0 8.62E-09 -1.13E-06 5.80E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 3 55 3.55 265.36 71.31 3.65E-02 0 -1.00E-07 -1.26E-06 5.99E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 3 60 3.6 260.11 70.03 3.77E-02 0 -2.35E-07 -1.38E-06 6.14E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 3 65 3.65 256.45 68.42 3.70E-02 0 -3.38E-07 -1.43E-06 5.96E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 3 70 3.7 258.17 69.89 3.58E-02 0 -2.68E-07 -1.31E-06 5.83E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 3 75 3.75 254.17 68.57 3.72E-02 0 -3.93E-07 -1.42E-06 6.00E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 3 80 3.8 250.87 68.48 3.82E-02 0 -4.87E-07 -1.44E-06 6.17E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 3 85 3.85 259.54 69.86 3.95E-02 0 -2.62E-07 -1.45E-06 6.43E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 3 90 3.9 266.8 71.22 4.56E-02 0 -8.70E-08 -1.59E-06 7.49E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 3 95 3.95 233.77 71.39 4.48E-02 0 -8.96E-07 -1.25E-06 7.36E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 3 100 4 237.09 72.27 3.96E-02 0 -6.95E-07 -1.10E-06 6.54E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 3 105 4.05 248.54 69.53 3.85E-02 0 -5.22E-07 -1.36E-06 6.25E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 3 110 4.1 250.61 66.03 3.89E-02 0 -5.57E-07 -1.62E-06 6.17E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 3 115 4.15 253.42 66.86 3.73E-02 0 -4.44E-07 -1.52E-06 5.94E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 3 120 4.2 251.93 70.09 3.54E-02 0 -3.97E-07 -1.24E-06 5.77E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 3 125 4.25 248.73 69.01 3.63E-02 0 -5.00E-07 -1.31E-06 5.87E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 3 130 4.3 244.35 63.56 3.81E-02 0 -7.78E-07 -1.66E-06 5.91E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 3 135 4.35 248.66 61.26 3.79E-02 0 -7.04E-07 -1.84E-06 5.76E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 3 140 4.4 252.85 59.98 3.83E-02 0 -5.99E-07 -1.99E-06 5.75E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 3 145 4.45 252.74 57.59 3.57E-02 0 -6.02E-07 -1.98E-06 5.22E-06 03/12/97 Yes Yes 1970 172 1061 C 1 H 4 0 4.5 278.73 65.42 1.11E-02 0 7.42E-08 -4.94E-07 1.75E-06 03/12/97 Yes Yes 1972 172 1061 C 1 H 4 5 4.55 249.75 53.52 3.22E-02 0 -7.02E-07 -1.95E-06 4.49E-06 03/12/97 Yes Yes 1972 172 1061 C 1 H 4 10 4.6 238.74 56.03 3.91E-02 0 -1.20E-06 -2.02E-06 5.62E-06 03/12/97 Yes Yes 1972 172 1061 C 1 H 4 15 4.65 237.69 57.31 4.04E-02 0 -1.24E-06 -2.00E-06 5.89E-06 03/12/97 Yes Yes 1972 172 1061 C 1 H 4 20 4.7 239.15 57.86 4.12E-02 0 -1.19E-06 -2.04E-06 6.05E-06 03/12/97 Yes Yes 1972 172 1061 C 1 H 4 25 4.75 237.82 59.35 4.09E-02 0 -1.18E-06 -1.92E-06 6.10E-06 03/12/97 Yes Yes 1972 172 1061 C 1 H 4 30 4.8 240.8 58.93 4.04E-02 0 -1.08E-06 -1.97E-06 6.00E-06 03/12/97 Yes Yes 1972 172 1061 C 1 H 4 35 4.85 240.64 59.79 3.93E-02 0 -1.03E-06 -1.87E-06 5.89E-06 03/12/97 Yes Yes 1972 172 1061 C 1 H 4 40 4.9 242.2 64.1 3.92E-02 0 -8.48E-07 -1.64E-06 6.12E-06 03/12/97 Yes Yes 1972 172 1061 C 1 H 4 45 4.95 226.88 64.93 3.93E-02 0 -1.21E-06 -1.32E-06 6.17E-06 03/12/97 Yes Yes 1972 172 1061 C 1 H 4 50 5 229.43 60.04 3.67E-02 0 -1.26E-06 -1.51E-06 5.51E-06 03/12/97 Yes Yes 1972 172 1061 C 1 H 4 55 5.05 239.4 57.5 3.66E-02 0 -1.06E-06 -1.84E-06 5.36E-06 03/12/97 Yes Yes 1972 172 1061 C 1 H 4 60 5.1 245.16 55.97 3.56E-02 0 -8.88E-07 -1.96E-06 5.12E-06 03/12/97 Yes Yes 1972 172 1061 C 1 H 4 65 5.15 249.89 58.96 3.25E-02 0 -6.10E-07 -1.71E-06 4.82E-06 03/12/97 Yes Yes 1972 172 1061 C 1 H 4 70 5.2 259.76 61.88 2.95E-02 0 -2.62E-07 -1.48E-06 4.51E-06 03/12/97 Yes Yes 1972 172 1061 C 1 H 4 75 5.25 278.24 61.86 3.15E-02 0 2.26E-07 -1.59E-06 4.81E-06 03/12/97 Yes Yes 1972 172 1061 C 1 H 4 80 5.3 280.27 64.37 3.50E-02 0 2.86E-07 -1.61E-06 5.47E-06 03/12/97 Yes Yes 1972 172 1061 C 1 H 4 85 5.35 282.07 63.17 3.98E-02 0 3.98E-07 -1.91E-06 6.16E-06 03/12/97 Yes Yes 1972 172 1061 C 1 H 4 90 5.4 285.96 61.31 4.73E-02 0 6.63E-07 -2.37E-06 7.20E-06 03/12/97 Yes Yes 1972 172 1061 C 1 H 4 95 5.45 295.2 60.44 6.19E-02 0 1.38E-06 -3.00E-06 9.33E-06 03/12/97 Yes Yes 1972 172 1061 C 1 H 4 100 5.5 278.18 73.77 8.02E-02 0 3.38E-07 -2.41E-06 1.33E-05 03/12/97 Yes Yes 1972 172 1061 C 1 H 4 105 5.55 210.69 65.66 6.67E-02 0 -2.51E-06 -1.52E-06 1.05E-05 03/12/97 Yes Yes 1972 172 1061 C 1 H 4 110 5.6 245.91 70.99 4.61E-02 0 -6.51E-07 -1.49E-06 7.56E-06 03/12/97 Yes Yes 1972 172 1061 C 1 H 4 115 5.65 15.71 79.95 3.59E-02 0 6.40E-07 1.84E-07 6.14E-06 03/12/97 Yes Yes 1972 172 1061 C 2 H 1 0 5.8 107.26 77.86 5.69E-03 0 -3.76E-08 1.24E-07 9.64E-07 03/12/97 Yes Yes 1974 172 1061 C 2 H 1 5 5.85 163.83 76.21 1.62E-02 0 -3.94E-07 1.17E-07 2.73E-06 03/12/97 Yes Yes 1974 172 1061 C 2 H 1 10 5.9 189.08 60.29 2.51E-02 0 -1.30E-06 -2.13E-07 3.78E-06 03/12/97 Yes Yes 1974 172 1061 C 2 H 1 15 5.95 224.44 74.96 2.84E-02 0 -5.58E-07 -5.60E-07 4.76E-06 03/12/97 Yes Yes 1974 172 1061 C 2 H 1 20 6 4.54 77.34 4.63E-02 0 1.07E-06 8.70E-08 7.82E-06 03/12/97 Yes Yes 1974 172 1061 C 2 H 1 25 6.05 310.37 77.3 4.85E-02 0 7.32E-07 -8.80E-07 8.19E-06 03/12/97 Yes Yes 1974 172 1061 C 2 H 1 30 6.1 326.32 67.98 4.77E-02 0 1.58E-06 -1.08E-06 7.67E-06 03/12/97 Yes Yes 1974 172 1061 C 2 H 1 35 6.15 0 73.86 4.23E-02 0 1.25E-06 7.79E-11 7.04E-06 03/12/97 Yes Yes 1974 172 1061 C 2 H 1 40 6.2 17.44 72.41 3.94E-02 0 1.21E-06 3.87E-07 6.51E-06 03/12/97 Yes Yes 1974 172 1061 C 2 H 1 45 6.25 342.59 66.49 4.06E-02 0 1.64E-06 -5.25E-07 6.45E-06 03/12/97 Yes Yes 1974 172 1061 C 2 H 1 50 6.3 332.3 56.91 4.66E-02 0 2.39E-06 -1.28E-06 6.77E-06 03/12/97 Yes Yes 1974 172 1061 C 2 H 1 55 6.35 321.27 60.52 4.08E-02 0 1.66E-06 -1.36E-06 6.16E-06 03/12/97 Yes Yes 1974 172 1061 C 2 H 1 60 6.4 323.91 55.51 4.06E-02 0 1.97E-06 -1.47E-06 5.80E-06 03/12/97 Yes Yes 1974 172 1061 C 2 H 1 65 6.45 324.31 54.86 3.99E-02 0 1.98E-06 -1.45E-06 5.66E-06 03/12/97 Yes Yes 1974 172 1061 C 2 H 1 70 6.5 321.41 52.28 4.14E-02 0 2.10E-06 -1.71E-06 5.68E-06 03/12/97 Yes Yes 1974 172 1061 C 2 H 1 75 6.55 317.62 55.44 3.93E-02 0 1.75E-06 -1.63E-06 5.61E-06 03/12/97 Yes Yes 1974 172 1061 C 2 H 1 80 6.6 324.34 55.95 3.90E-02 0 1.88E-06 -1.38E-06 5.60E-06 03/12/97 Yes Yes 1974 172 1061 C 2 H 1 85 6.65 327.58 56.27 4.10E-02 0 2.04E-06 -1.32E-06 5.91E-06 03/12/97 Yes Yes 1974 172 1061 C 2 H 1 90 6.7 322.96 57.66 4.08E-02 0 1.85E-06 -1.42E-06 5.97E-06 03/12/97 Yes Yes 1974 172 1061 C 2 H 1 95 6.75 318.91 57.38 4.20E-02 0 1.81E-06 -1.62E-06 6.14E-06 03/12/97 Yes Yes 1974 172 1061 C 2 H 1 100 6.8 321.51 56.13 4.36E-02 0 2.02E-06 -1.64E-06 6.28E-06 03/12/97 Yes Yes 1974 172 1061 C 2 H 1 105 6.85 324.8 56.67 4.73E-02 0 2.25E-06 -1.63E-06 6.86E-06 03/12/97 Yes Yes 1974 172 1061 C 2 H 1 110 6.9 327.06 58.74 4.83E-02 0 2.23E-06 -1.48E-06 7.16E-06 03/12/97 Yes Yes 1974 172 1061 C 2 H 1 115 6.95 329.26 57.26 4.93E-02 0 2.43E-06 -1.48E-06 7.18E-06 03/12/97 Yes Yes 1974 172 1061 C 2 H 1 120 7 332.23 59.66 4.40E-02 0 2.08E-06 -1.12E-06 6.58E-06 03/12/97 Yes Yes 1974 172 1061 C 2 H 1 125 7.05 333.53 59.99 3.86E-02 0 1.83E-06 -9.33E-07 5.80E-06 03/12/97 Yes Yes 1974 172 1061 C 2 H 1 130 7.1 334.33 58.02 3.61E-02 0 1.83E-06 -8.98E-07 5.31E-06 03/12/97 Yes Yes 1974 172 1061 C 2 H 1 135 7.15 331.5 53.57 3.62E-02 0 2.00E-06 -1.11E-06 5.05E-06 03/12/97 Yes Yes 1974 172 1061 C 2 H 1 140 7.2 329.91 49.42 3.52E-02 0 2.10E-06 -1.24E-06 4.63E-06 03/12/97 Yes Yes 1974 172 1061 C 2 H 1 145 7.25 330.1 48.67 3.30E-02 0 2.01E-06 -1.18E-06 4.30E-06 03/12/97 Yes Yes 1974 172 1061 C 2 H 2 0 7.3 337.25 41.85 1.61E-02 0 1.17E-06 -5.03E-07 1.86E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 5 7.35 328.39 45.07 3.25E-02 0 2.07E-06 -1.31E-06 3.99E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 10 7.4 324.37 55.11 2.98E-02 0 1.47E-06 -1.08E-06 4.23E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 15 7.45 326.39 58.45 2.75E-02 0 1.27E-06 -8.63E-07 4.06E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 20 7.5 327.81 60.47 2.71E-02 0 1.20E-06 -7.73E-07 4.09E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 25 7.55 323.61 61.37 2.98E-02 0 1.22E-06 -9.18E-07 4.53E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 30 7.6 327.94 64.61 3.18E-02 0 1.23E-06 -7.85E-07 4.98E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 35 7.65 331.28 65.73 3.39E-02 0 1.30E-06 -7.26E-07 5.36E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 40 7.7 334.28 66.16 3.44E-02 0 1.33E-06 -6.55E-07 5.46E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 45 7.75 337.09 66.6 3.47E-02 0 1.34E-06 -5.81E-07 5.51E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 50 7.8 337.59 63.92 3.54E-02 0 1.53E-06 -6.44E-07 5.52E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 55 7.85 336.03 62.03 3.55E-02 0 1.61E-06 -7.33E-07 5.43E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 60 7.9 335.73 61.06 3.59E-02 0 1.68E-06 -7.75E-07 5.45E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 65 7.95 333 60 3.77E-02 0 1.78E-06 -9.28E-07 5.66E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 70 8 332.78 57.18 3.97E-02 0 2.03E-06 -1.07E-06 5.79E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 75 8.05 330.87 58.29 3.99E-02 0 1.94E-06 -1.11E-06 5.89E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 80 8.1 327.01 55.26 4.29E-02 0 2.17E-06 -1.44E-06 6.11E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 85 8.15 322.7 56.85 4.32E-02 0 1.99E-06 -1.55E-06 6.27E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 90 8.2 319.86 58.18 4.54E-02 0 1.94E-06 -1.67E-06 6.69E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 95 8.25 323.09 61.96 4.71E-02 0 1.88E-06 -1.44E-06 7.21E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 100 8.3 327.7 64.63 4.95E-02 0 1.90E-06 -1.23E-06 7.75E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 105 8.35 343.58 67.44 5.11E-02 0 1.99E-06 -6.01E-07 8.17E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 110 8.4 347.23 65.89 5.33E-02 0 2.25E-06 -5.22E-07 8.43E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 115 8.45 341.19 65.71 5.38E-02 0 2.22E-06 -7.74E-07 8.50E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 120 8.5 327.09 63.37 5.27E-02 0 2.11E-06 -1.39E-06 8.17E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 125 8.55 320.22 58.7 4.87E-02 0 2.06E-06 -1.76E-06 7.22E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 130 8.6 320.36 56.61 4.78E-02 0 2.15E-06 -1.82E-06 6.92E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 135 8.65 324.66 57.97 4.82E-02 0 2.21E-06 -1.60E-06 7.09E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 140 8.7 329.88 60.4 4.84E-02 0 2.19E-06 -1.30E-06 7.30E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 145 8.75 323.71 59.71 4.71E-02 0 2.03E-06 -1.52E-06 7.05E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 2 150 8.8 286.46 72.15 2.57E-02 0 2.37E-07 -8.20E-07 4.25E-06 03/12/97 Yes Yes 1976 172 1061 C 2 H 3 0 8.8 315.06 47.08 1.96E-02 0 1.00E-06 -1.02E-06 2.49E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 5 8.85 299.72 50.18 4.30E-02 0 1.45E-06 -2.60E-06 5.73E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 10 8.9 297.1 54.39 4.72E-02 0 1.33E-06 -2.66E-06 6.66E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 15 8.95 294.6 51.4 4.90E-02 0 1.35E-06 -3.02E-06 6.64E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 20 9 292.94 47.31 4.95E-02 0 1.39E-06 -3.35E-06 6.30E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 25 9.05 293.4 48.4 4.59E-02 0 1.28E-06 -3.03E-06 5.95E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 30 9.1 292.41 50.77 4.35E-02 0 1.11E-06 -2.76E-06 5.84E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 35 9.15 292.99 54.04 4.05E-02 0 9.86E-07 -2.38E-06 5.69E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 40 9.2 302.61 57.04 3.65E-02 0 1.14E-06 -1.82E-06 5.31E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 45 9.25 308.68 54.82 3.49E-02 0 1.33E-06 -1.70E-06 4.94E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 50 9.3 316.75 50.7 3.40E-02 0 1.66E-06 -1.60E-06 4.56E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 55 9.35 327.56 55.04 3.40E-02 0 1.74E-06 -1.13E-06 4.83E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 60 9.4 328.42 65.56 3.02E-02 0 1.13E-06 -7.10E-07 4.77E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 65 9.45 330.37 58.44 3.15E-02 0 1.52E-06 -8.85E-07 4.66E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 70 9.5 327.69 58.81 3.10E-02 0 1.44E-06 -9.30E-07 4.59E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 75 9.55 327.88 54.76 3.11E-02 0 1.61E-06 -1.03E-06 4.40E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 80 9.6 321.86 49.94 3.40E-02 0 1.83E-06 -1.47E-06 4.51E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 85 9.65 325.46 52.37 3.39E-02 0 1.81E-06 -1.27E-06 4.65E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 90 9.7 329.2 51.23 3.63E-02 0 2.07E-06 -1.26E-06 4.91E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 95 9.75 328.46 53.71 3.81E-02 0 2.04E-06 -1.28E-06 5.32E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 100 9.8 322.95 55.23 4.11E-02 0 1.98E-06 -1.53E-06 5.85E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 105 9.85 323.56 56 4.35E-02 0 2.08E-06 -1.57E-06 6.25E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 110 9.9 325.14 57.64 4.54E-02 0 2.11E-06 -1.51E-06 6.65E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 115 9.95 319 55.67 4.52E-02 0 2.04E-06 -1.81E-06 6.47E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 120 10 320.66 50.43 4.84E-02 0 2.53E-06 -2.12E-06 6.47E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 125 10.05 319.02 50.09 5.02E-02 0 2.58E-06 -2.29E-06 6.68E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 130 10.1 321.7 52.63 5.01E-02 0 2.53E-06 -2.04E-06 6.90E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 135 10.15 323.99 55.34 4.86E-02 0 2.37E-06 -1.76E-06 6.93E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 140 10.2 325.94 54.62 4.71E-02 0 2.39E-06 -1.66E-06 6.65E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 145 10.25 330.1 53.51 4.31E-02 0 2.36E-06 -1.39E-06 6.00E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 3 150 10.3 324.49 66.44 2.31E-02 0 7.96E-07 -5.80E-07 3.66E-06 03/12/97 Yes Yes 1978 172 1061 C 2 H 4 0 10.3 325.03 50.4 1.55E-02 0 8.57E-07 -6.13E-07 2.07E-06 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 5 10.35 314.48 50.3 3.59E-02 0 1.70E-06 -1.77E-06 4.79E-06 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 10 10.4 312.8 53.63 3.95E-02 0 1.69E-06 -1.86E-06 5.51E-06 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 15 10.45 318.8 51.17 4.21E-02 0 2.10E-06 -1.88E-06 5.68E-06 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 20 10.5 323.61 48.95 4.23E-02 0 2.37E-06 -1.79E-06 5.53E-06 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 25 10.55 332.75 50.45 4.41E-02 0 2.65E-06 -1.40E-06 5.90E-06 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 30 10.6 334.18 51.74 4.61E-02 0 2.72E-06 -1.35E-06 6.27E-06 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 35 10.65 326.42 54.95 5.29E-02 0 2.68E-06 -1.82E-06 7.50E-06 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 40 10.7 316.01 62.41 5.85E-02 0 2.07E-06 -2.04E-06 8.99E-06 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 45 10.75 300.2 65.33 6.14E-02 0 1.37E-06 -2.40E-06 9.68E-06 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 50 10.8 290.17 66.05 5.82E-02 0 8.64E-07 -2.41E-06 9.22E-06 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 55 10.85 292.9 62.89 5.22E-02 0 9.82E-07 -2.38E-06 8.06E-06 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 60 10.9 289.49 53.16 5.56E-02 0 1.18E-06 -3.41E-06 7.71E-06 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 65 10.95 290.54 52.64 6.08E-02 0 1.37E-06 -3.75E-06 8.38E-06 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 70 11 292.95 62.67 6.02E-02 0 1.14E-06 -2.76E-06 9.28E-06 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 75 11.05 313.23 72.81 5.42E-02 0 1.16E-06 -1.27E-06 8.98E-06 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 80 11.1 313.43 69.32 5.35E-02 0 1.38E-06 -1.49E-06 8.68E-06 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 85 11.15 316.92 64.87 5.82E-02 0 1.91E-06 -1.83E-06 9.13E-06 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 90 11.2 311.98 63.41 6.28E-02 0 1.99E-06 -2.27E-06 9.73E-06 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 95 11.25 307.71 60.17 6.41E-02 0 2.07E-06 -2.73E-06 9.63E-06 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 100 11.3 299.72 57.19 6.83E-02 0 1.95E-06 -3.48E-06 9.95E-06 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 105 11.35 292.73 60.77 6.71E-02 0 1.34E-06 -3.28E-06 1.01E-05 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 110 11.4 294.87 65.06 6.64E-02 0 1.25E-06 -2.76E-06 1.04E-05 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 115 11.45 297.38 67.05 6.79E-02 0 1.29E-06 -2.55E-06 1.08E-05 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 120 11.5 299.67 66.76 6.64E-02 0 1.38E-06 -2.47E-06 1.06E-05 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 125 11.55 305.66 66.05 6.20E-02 0 1.56E-06 -2.22E-06 9.82E-06 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 130 11.6 312.03 65.58 5.95E-02 0 1.75E-06 -1.98E-06 9.40E-06 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 135 11.65 305.48 68.87 5.58E-02 0 1.24E-06 -1.78E-06 9.03E-06 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 140 11.7 307.21 68.91 4.98E-02 0 1.15E-06 -1.55E-06 8.05E-06 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 145 11.75 311.95 67.17 4.39E-02 0 1.21E-06 -1.37E-06 7.02E-06 03/12/97 Yes Yes 1980 172 1061 C 2 H 4 150 11.8 261.1 84.27 2.43E-02 0 -3.98E-08 -2.60E-07 4.19E-06 03/12/97 Yes Yes 1980 172 1061 C 2 H 5 0 11.8 328.93 57.4 1.37E-02 0 6.72E-07 -4.14E-07 2.01E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 5 11.85 325.51 61.86 3.32E-02 0 1.37E-06 -9.61E-07 5.07E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 10 11.9 329.32 67.39 3.56E-02 0 1.25E-06 -7.57E-07 5.69E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 15 11.95 344.69 71.84 3.26E-02 0 1.04E-06 -2.91E-07 5.38E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 20 12 354.98 74.12 3.02E-02 0 8.74E-07 -7.85E-08 5.04E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 25 12.05 350.61 69.91 3.05E-02 0 1.10E-06 -1.85E-07 4.96E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 30 12.1 343.58 63.04 3.37E-02 0 1.56E-06 -4.69E-07 5.21E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 35 12.15 340.97 60.71 3.68E-02 0 1.80E-06 -6.36E-07 5.56E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 40 12.2 339.09 62.55 3.85E-02 0 1.76E-06 -6.87E-07 5.93E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 45 12.25 322.61 67.18 3.93E-02 0 1.29E-06 -1.01E-06 6.29E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 50 12.3 318.19 61.5 3.91E-02 0 1.47E-06 -1.35E-06 5.95E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 55 12.35 327.71 56.02 3.91E-02 0 1.96E-06 -1.26E-06 5.61E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 60 12.4 331.48 52.83 4.11E-02 0 2.31E-06 -1.28E-06 5.67E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 65 12.45 330.86 54.55 4.14E-02 0 2.23E-06 -1.27E-06 5.85E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 70 12.5 331.3 56.8 4.02E-02 0 2.05E-06 -1.15E-06 5.84E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 75 12.55 334.41 57.57 4.11E-02 0 2.11E-06 -1.03E-06 6.01E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 80 12.6 335.02 60.3 4.03E-02 0 1.92E-06 -9.15E-07 6.07E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 85 12.65 332.89 58.95 3.90E-02 0 1.90E-06 -9.95E-07 5.80E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 90 12.7 329.69 57.09 3.86E-02 0 1.92E-06 -1.15E-06 5.62E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 95 12.75 331.91 56.23 3.88E-02 0 2.02E-06 -1.10E-06 5.59E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 100 12.8 334.04 56.36 3.92E-02 0 2.07E-06 -1.03E-06 5.65E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 105 12.85 336.54 56.02 4.14E-02 0 2.25E-06 -9.99E-07 5.95E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 110 12.9 337.78 59.26 4.19E-02 0 2.10E-06 -8.78E-07 6.24E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 115 12.95 339.29 61.75 4.22E-02 0 1.98E-06 -7.66E-07 6.44E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 120 13 342.55 64.44 4.38E-02 0 1.91E-06 -6.15E-07 6.85E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 125 13.05 342.59 62.21 4.68E-02 0 2.21E-06 -7.08E-07 7.18E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 130 13.1 339.56 59.5 5.18E-02 0 2.61E-06 -9.96E-07 7.74E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 135 13.15 323.86 67.32 4.94E-02 0 1.63E-06 -1.22E-06 7.90E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 140 13.2 315.45 71.14 4.32E-02 0 1.05E-06 -1.06E-06 7.08E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 145 13.25 321.97 63.85 4.71E-02 0 1.73E-06 -1.39E-06 7.33E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 5 150 13.3 299.75 78.58 2.89E-02 0 3.01E-07 -5.39E-07 4.92E-06 03/12/97 Yes Yes 1982 172 1061 C 2 H 6 0 13.3 328.45 56.85 2.29E-02 0 1.13E-06 -7.09E-07 3.32E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 5 13.35 323.99 63.63 4.83E-02 0 1.84E-06 -1.37E-06 7.50E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 10 13.4 329.14 68.79 5.16E-02 0 1.70E-06 -1.04E-06 8.34E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 15 13.45 328.05 68.97 5.12E-02 0 1.65E-06 -1.05E-06 8.28E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 20 13.5 317.93 70.11 4.98E-02 0 1.33E-06 -1.23E-06 8.12E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 25 13.55 323.53 71.67 4.67E-02 0 1.25E-06 -9.47E-07 7.69E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 30 13.6 335.38 71.4 4.47E-02 0 1.38E-06 -6.44E-07 7.35E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 35 13.65 340.14 70.33 4.55E-02 0 1.53E-06 -5.65E-07 7.44E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 40 13.7 351.07 73.1 4.30E-02 0 1.31E-06 -2.10E-07 7.13E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 45 13.75 353.82 66.6 4.03E-02 0 1.69E-06 -1.87E-07 6.41E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 50 13.8 353.27 63.4 4.03E-02 0 1.90E-06 -2.29E-07 6.25E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 55 13.85 354.5 63.84 3.94E-02 0 1.83E-06 -1.81E-07 6.13E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 60 13.9 355.87 61.63 4.07E-02 0 2.04E-06 -1.51E-07 6.20E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 65 13.95 355.01 61.89 4.27E-02 0 2.12E-06 -1.90E-07 6.53E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 70 14 358.04 64.95 4.31E-02 0 1.93E-06 -6.78E-08 6.77E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 75 14.05 356.04 68.19 4.12E-02 0 1.62E-06 -1.14E-07 6.62E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 80 14.1 349.64 66.31 4.19E-02 0 1.76E-06 -3.28E-07 6.66E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 85 14.15 343.74 64.54 4.36E-02 0 1.91E-06 -5.70E-07 6.83E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 90 14.2 336.39 65.44 4.39E-02 0 1.77E-06 -7.93E-07 6.92E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 95 14.25 341.39 68.38 4.26E-02 0 1.58E-06 -5.43E-07 6.87E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 100 14.3 344.7 69.77 4.11E-02 0 1.46E-06 -4.07E-07 6.69E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 105 14.35 341.72 68.25 3.98E-02 0 1.49E-06 -5.02E-07 6.41E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 110 14.4 342.81 68.37 3.76E-02 0 1.41E-06 -4.45E-07 6.07E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 115 14.45 354.24 68.86 3.37E-02 0 1.28E-06 -1.32E-07 5.44E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 120 14.5 4.71 68.86 3.21E-02 0 1.23E-06 1.03E-07 5.20E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 125 14.55 1.48 71.52 3.05E-02 0 1.02E-06 2.70E-08 5.01E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 130 14.6 6.68 70.12 2.81E-02 0 1.01E-06 1.21E-07 4.59E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 135 14.65 7.75 62.39 2.75E-02 0 1.34E-06 1.87E-07 4.23E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 140 14.7 4.05 61.13 3.03E-02 0 1.55E-06 1.12E-07 4.60E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 145 14.75 357.28 65.27 2.78E-02 0 1.23E-06 -5.99E-08 4.38E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 6 150 14.8 322.25 79.49 1.78E-02 0 2.73E-07 -2.16E-07 3.04E-06 03/12/97 Yes Yes 1984 172 1061 C 2 H 7 0 14.8 342.8 56.12 1.28E-02 0 7.20E-07 -2.28E-07 1.84E-06 03/12/97 Yes Yes 1986 172 1061 C 2 H 7 5 14.85 334.29 58.41 3.08E-02 0 1.54E-06 -7.59E-07 4.55E-06 03/12/97 Yes Yes 1986 172 1061 C 2 H 7 10 14.9 335.44 61.92 3.63E-02 0 1.65E-06 -7.71E-07 5.55E-06 03/12/97 Yes Yes 1986 172 1061 C 2 H 7 15 14.95 346.55 55.5 5.26E-02 0 3.08E-06 -7.52E-07 7.52E-06 03/12/97 Yes Yes 1986 172 1061 C 2 H 7 20 15 346.27 76.26 8.21E-02 0 2.01E-06 -5.02E-07 1.38E-05 03/12/97 Yes Yes 1986 172 1061 C 2 H 7 25 15.05 185.62 74.46 6.73E-02 0 -1.90E-06 -1.92E-07 1.12E-05 03/12/97 Yes Yes 1986 172 1061 C 2 H 7 30 15.1 334.65 76.72 4.59E-02 0 1.01E-06 -4.90E-07 7.75E-06 03/12/97 Yes Yes 1986 172 1061 C 2 H 7 35 15.15 338.17 56.01 6.33E-02 0 3.48E-06 -1.43E-06 9.09E-06 03/12/97 Yes Yes 1986 172 1061 C 3 H 3 0 18.3 182.8 80.1 3.03E-02 0 -5.51E-07 -2.76E-08 5.17E-06 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 5 18.35 273.76 70.86 3.98E-02 0 9.07E-08 -1.41E-06 6.51E-06 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 10 18.4 287.63 66.27 4.36E-02 0 5.64E-07 -1.82E-06 6.93E-06 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 15 18.45 15.38 72.16 4.44E-02 0 1.39E-06 3.91E-07 7.33E-06 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 20 18.5 16.28 67.3 6.67E-02 0 2.62E-06 7.82E-07 1.07E-05 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 25 18.55 37.54 75.68 6.80E-02 0 1.41E-06 1.11E-06 1.14E-05 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 30 18.6 354.71 79.46 6.43E-02 0 1.24E-06 -1.18E-07 1.10E-05 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 35 18.65 287.46 75.57 6.49E-02 0 5.15E-07 -1.67E-06 1.09E-05 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 40 18.7 262.11 82.78 5.88E-02 0 -1.08E-07 -7.94E-07 1.01E-05 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 45 18.75 55.41 80.68 6.08E-02 0 5.93E-07 8.79E-07 1.04E-05 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 50 18.8 43.41 80.26 6.22E-02 0 8.10E-07 7.84E-07 1.06E-05 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 55 18.85 354.58 78.9 5.57E-02 0 1.13E-06 -1.10E-07 9.47E-06 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 60 18.9 16.02 66.91 6.13E-02 0 2.45E-06 7.20E-07 9.78E-06 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 65 18.95 13.43 68.22 6.35E-02 0 2.43E-06 5.94E-07 1.02E-05 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 70 19 324.83 83.84 4.74E-02 0 4.41E-07 -3.18E-07 8.17E-06 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 75 19.05 194.07 75.45 2.92E-02 0 -7.54E-07 -1.93E-07 4.90E-06 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 80 19.1 2.78 64.55 3.48E-02 0 1.58E-06 7.87E-08 5.44E-06 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 85 19.15 13.22 57.49 6.56E-02 0 3.64E-06 8.74E-07 9.59E-06 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 90 19.2 15.5 61.93 7.33E-02 0 3.53E-06 1.00E-06 1.12E-05 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 95 19.25 18.86 61.89 7.75E-02 0 3.66E-06 1.28E-06 1.18E-05 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 100 19.3 16.7 61.93 7.56E-02 0 3.61E-06 1.11E-06 1.16E-05 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 105 19.35 15.82 61.2 7.12E-02 0 3.50E-06 1.01E-06 1.08E-05 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 110 19.4 17.83 61.54 6.77E-02 0 3.26E-06 1.07E-06 1.03E-05 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 115 19.45 20.25 59.17 7.04E-02 0 3.59E-06 1.35E-06 1.05E-05 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 120 19.5 20.44 60.13 7.29E-02 0 3.61E-06 1.38E-06 1.10E-05 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 125 19.55 13.95 61.87 7.49E-02 0 3.64E-06 9.24E-07 1.15E-05 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 130 19.6 16.67 63.72 7.98E-02 0 3.59E-06 1.10E-06 1.24E-05 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 135 19.65 21.9 67.99 8.15E-02 0 3.01E-06 1.24E-06 1.31E-05 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 140 19.7 21.77 68.04 7.92E-02 0 2.92E-06 1.19E-06 1.27E-05 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 145 19.75 24.94 70.29 6.75E-02 0 2.19E-06 1.04E-06 1.10E-05 03/12/97 Yes Yes 1988 172 1061 C 3 H 3 150 19.8 137.27 82.13 2.95E-02 0 -3.15E-07 2.98E-07 5.07E-06 03/12/97 Yes Yes 1988 172 1061 C 3 H 2 0 16.8 0.06 56.88 4.68E-02 0 2.71E-06 2.97E-09 6.80E-06 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 5 16.85 16.02 65.18 7.08E-02 0 3.03E-06 8.90E-07 1.11E-05 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 10 16.9 19.4 71.25 7.02E-02 0 2.26E-06 8.13E-07 1.15E-05 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 15 16.95 19.43 78.83 6.40E-02 0 1.24E-06 4.48E-07 1.09E-05 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 20 17 24.78 77.58 6.54E-02 0 1.35E-06 6.39E-07 1.11E-05 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 25 17.05 20.52 67.64 7.36E-02 0 2.78E-06 1.06E-06 1.18E-05 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 30 17.1 10.48 61.17 7.74E-02 0 3.89E-06 7.36E-07 1.18E-05 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 35 17.15 7.43 63.07 7.26E-02 0 3.46E-06 4.61E-07 1.12E-05 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 40 17.2 10.01 64.42 6.93E-02 0 3.12E-06 5.64E-07 1.08E-05 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 45 17.25 8.11 65.45 6.68E-02 0 2.91E-06 4.24E-07 1.05E-05 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 50 17.3 9.23 64.61 6.64E-02 0 2.98E-06 4.95E-07 1.04E-05 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 55 17.35 12.03 62.53 6.67E-02 0 3.19E-06 6.96E-07 1.03E-05 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 60 17.4 14.11 63.56 6.67E-02 0 3.06E-06 7.85E-07 1.04E-05 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 65 17.45 15.98 68.57 6.88E-02 0 2.56E-06 7.51E-07 1.11E-05 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 70 17.5 23.34 73.47 7.08E-02 0 1.96E-06 8.65E-07 1.18E-05 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 75 17.55 24.18 73.12 6.98E-02 0 1.96E-06 9.00E-07 1.16E-05 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 80 17.6 20.86 68.67 7.26E-02 0 2.62E-06 1.02E-06 1.17E-05 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 85 17.65 22.94 66.57 7.89E-02 0 3.06E-06 1.33E-06 1.25E-05 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 90 17.7 16.74 68.15 7.73E-02 0 2.92E-06 8.99E-07 1.24E-05 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 95 17.75 13.7 67.32 7.53E-02 0 2.99E-06 7.46E-07 1.20E-05 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 100 17.8 10.8 64.79 7.54E-02 0 3.35E-06 6.53E-07 1.18E-05 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 105 17.85 14.24 62.52 7.60E-02 0 3.60E-06 9.35E-07 1.17E-05 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 110 17.9 11.37 59.73 7.74E-02 0 4.06E-06 8.35E-07 1.16E-05 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 115 17.95 13.42 65.17 7.14E-02 0 3.09E-06 7.55E-07 1.12E-05 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 120 18 18.83 71.98 5.71E-02 0 1.77E-06 6.18E-07 9.41E-06 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 125 18.05 12.15 69.13 5.14E-02 0 1.90E-06 4.18E-07 8.32E-06 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 130 18.1 19.16 63.87 5.89E-02 0 2.60E-06 9.23E-07 9.17E-06 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 135 18.15 15.73 64.82 6.67E-02 0 2.90E-06 8.35E-07 1.05E-05 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 140 18.2 13.2 66.11 6.54E-02 0 2.73E-06 6.56E-07 1.04E-05 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 145 18.25 15.56 67.16 5.61E-02 0 2.23E-06 6.34E-07 8.97E-06 03/12/97 Yes Yes 1990 172 1061 C 3 H 2 150 18.3 119.99 81.55 2.42E-02 0 -1.89E-07 3.34E-07 4.15E-06 03/12/97 Yes Yes 1990 172 1061 C 3 H 3 0 18.3 359.78 52.05 4.16E-02 0 2.71E-06 -1.06E-08 5.69E-06 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 5 18.35 7.16 66.3 5.76E-02 0 2.44E-06 3.13E-07 9.15E-06 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 10 18.4 9.05 73.45 5.37E-02 0 1.60E-06 2.61E-07 8.93E-06 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 15 18.45 8.78 67.21 6.17E-02 0 2.50E-06 3.95E-07 9.85E-06 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 20 18.5 10.06 66.53 6.61E-02 0 2.75E-06 4.99E-07 1.05E-05 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 25 18.55 6.41 67.06 6.72E-02 0 2.76E-06 3.17E-07 1.07E-05 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 30 18.6 359.43 68.74 6.25E-02 0 2.40E-06 -2.46E-08 1.01E-05 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 35 18.65 355.86 68.45 6.08E-02 0 2.36E-06 -1.75E-07 9.80E-06 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 40 18.7 0.85 69.06 6.08E-02 0 2.30E-06 3.51E-08 9.84E-06 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 45 18.75 3.32 68.74 6.17E-02 0 2.37E-06 1.41E-07 9.98E-06 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 50 18.8 4.21 67.49 6.33E-02 0 2.56E-06 1.93E-07 1.01E-05 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 55 18.85 7.17 65.07 6.68E-02 0 2.96E-06 3.81E-07 1.05E-05 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 60 18.9 13.62 66.7 6.35E-02 0 2.59E-06 6.42E-07 1.01E-05 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 65 18.95 16.04 69.97 5.49E-02 0 1.92E-06 5.63E-07 8.94E-06 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 70 19 13.52 70.47 5.12E-02 0 1.77E-06 4.34E-07 8.37E-06 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 75 19.05 11.65 69.74 5.04E-02 0 1.81E-06 3.82E-07 8.20E-06 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 80 19.1 11.1 68.35 5.09E-02 0 1.96E-06 3.92E-07 8.21E-06 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 85 19.15 8.68 67.2 4.90E-02 0 1.99E-06 3.11E-07 7.83E-06 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 90 19.2 5.8 67.71 4.33E-02 0 1.73E-06 1.80E-07 6.95E-06 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 95 19.25 11 65.07 3.95E-02 0 1.73E-06 3.44E-07 6.21E-06 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 100 19.3 27.87 59.49 3.89E-02 0 1.85E-06 1.00E-06 5.81E-06 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 105 19.35 32.48 61.67 3.79E-02 0 1.61E-06 1.05E-06 5.78E-06 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 110 19.4 30.05 67.41 3.46E-02 0 1.22E-06 7.22E-07 5.54E-06 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 115 19.45 23.78 70.2 3.31E-02 0 1.09E-06 4.90E-07 5.40E-06 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 120 19.5 16.62 70.73 3.23E-02 0 1.08E-06 3.31E-07 5.28E-06 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 125 19.55 19.25 70.81 3.15E-02 0 1.04E-06 3.71E-07 5.16E-06 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 130 19.6 20.35 69.88 3.06E-02 0 1.05E-06 3.98E-07 4.99E-06 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 135 19.65 19.3 67.79 3.10E-02 0 1.17E-06 4.20E-07 4.97E-06 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 140 19.7 14.99 64.99 3.17E-02 0 1.37E-06 3.76E-07 4.98E-06 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 145 19.75 17.82 65.29 2.77E-02 0 1.17E-06 3.85E-07 4.37E-06 03/12/97 Yes Yes 1992 172 1061 C 3 H 3 150 19.8 101.75 82.25 1.13E-02 0 -3.29E-08 1.62E-07 1.94E-06 03/12/97 Yes Yes 1992 172 1061 C 3 H 4 0 19.8 11.42 51.53 2.21E-02 0 1.43E-06 2.95E-07 3.00E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 5 19.85 24.89 62.11 3.31E-02 0 1.49E-06 7.08E-07 5.08E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 10 19.9 18.09 68.71 3.79E-02 0 1.39E-06 4.63E-07 6.12E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 15 19.95 13.86 73.69 3.77E-02 0 1.09E-06 2.75E-07 6.27E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 20 20 2.16 67.72 4.16E-02 0 1.67E-06 6.45E-08 6.67E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 25 20.05 10.98 72.02 4.17E-02 0 1.34E-06 2.66E-07 6.88E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 30 20.1 6.65 70.89 3.97E-02 0 1.37E-06 1.63E-07 6.51E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 35 20.15 6.08 71.67 3.88E-02 0 1.29E-06 1.40E-07 6.38E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 40 20.2 10.46 74 3.73E-02 0 1.07E-06 2.02E-07 6.21E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 45 20.25 12.45 70.48 3.84E-02 0 1.33E-06 3.00E-07 6.27E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 50 20.3 7.65 71.71 4.06E-02 0 1.34E-06 1.84E-07 6.69E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 55 20.35 1.66 73.6 4.09E-02 0 1.22E-06 3.62E-08 6.81E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 60 20.4 8.96 70.33 4.44E-02 0 1.56E-06 2.52E-07 7.24E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 65 20.45 12.88 64.94 4.81E-02 0 2.11E-06 4.92E-07 7.55E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 70 20.5 10.98 65.25 4.85E-02 0 2.12E-06 4.20E-07 7.64E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 75 20.55 11.46 64.55 4.68E-02 0 2.09E-06 4.33E-07 7.32E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 80 20.6 16.96 61.8 4.73E-02 0 2.27E-06 7.07E-07 7.22E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 85 20.65 14.58 64.28 4.56E-02 0 2.03E-06 5.40E-07 7.12E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 90 20.7 12.44 65.16 4.58E-02 0 1.99E-06 4.49E-07 7.20E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 95 20.75 12.71 64.94 4.78E-02 0 2.09E-06 4.83E-07 7.50E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 100 20.8 15.73 63.62 5.09E-02 0 2.31E-06 6.65E-07 7.91E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 105 20.85 20.78 64.34 5.43E-02 0 2.33E-06 9.04E-07 8.48E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 110 20.9 25.82 67.8 5.43E-02 0 1.96E-06 9.68E-07 8.71E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 115 20.95 25.77 73.48 4.98E-02 0 1.35E-06 6.68E-07 8.28E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 120 21 18.95 72.69 4.88E-02 0 1.46E-06 5.11E-07 8.07E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 125 21.05 20.78 71.76 4.98E-02 0 1.55E-06 6.00E-07 8.21E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 130 21.1 23.15 72.89 4.88E-02 0 1.40E-06 6.12E-07 8.08E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 135 21.15 17.06 69.5 4.95E-02 0 1.76E-06 5.52E-07 8.04E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 140 21.2 16.78 63.76 5.18E-02 0 2.33E-06 7.18E-07 8.06E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 145 21.25 17.12 61.37 4.92E-02 0 2.39E-06 7.53E-07 7.49E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 4 150 21.3 20.45 84.05 2.23E-02 0 2.30E-07 8.77E-08 3.85E-06 03/12/97 Yes Yes 1994 172 1061 C 3 H 5 0 21.3 0.44 49.22 3.54E-02 0 2.45E-06 1.94E-08 4.65E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 5 21.35 9.37 60.3 4.82E-02 0 2.50E-06 4.22E-07 7.26E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 10 21.4 8.05 64.46 4.63E-02 0 2.10E-06 3.03E-07 7.24E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 15 21.45 4.69 61.4 4.72E-02 0 2.39E-06 2.00E-07 7.18E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 20 21.5 8.35 64.28 4.85E-02 0 2.21E-06 3.32E-07 7.58E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 25 21.55 7.48 68.4 4.70E-02 0 1.82E-06 2.44E-07 7.58E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 30 21.6 2.6 67.63 5.15E-02 0 2.08E-06 9.64E-08 8.25E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 35 21.65 3.82 68.01 5.51E-02 0 2.18E-06 1.49E-07 8.86E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 40 21.7 4.8 67.64 5.67E-02 0 2.28E-06 1.96E-07 9.09E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 45 21.75 2.21 66.08 5.71E-02 0 2.45E-06 9.70E-08 9.05E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 50 21.8 1.69 67.41 5.84E-02 0 2.38E-06 7.16E-08 9.35E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 55 21.85 0.64 66.35 5.82E-02 0 2.47E-06 2.82E-08 9.24E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 60 21.9 10.53 63.32 5.85E-02 0 2.74E-06 5.20E-07 9.06E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 65 21.95 10.59 64.33 5.48E-02 0 2.48E-06 4.73E-07 8.56E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 70 22 7.51 66.73 5.40E-02 0 2.25E-06 3.03E-07 8.61E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 75 22.05 10.78 67.52 5.40E-02 0 2.15E-06 4.19E-07 8.65E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 80 22.1 9.27 68.44 5.28E-02 0 2.03E-06 3.39E-07 8.51E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 85 22.15 13.41 66.52 5.24E-02 0 2.15E-06 5.25E-07 8.33E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 90 22.2 14.6 65.63 5.46E-02 0 2.31E-06 6.16E-07 8.62E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 95 22.25 18.71 67.5 5.39E-02 0 2.07E-06 7.18E-07 8.63E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 100 22.3 20.54 67.67 5.15E-02 0 1.94E-06 7.44E-07 8.25E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 105 22.35 23.53 70.07 4.85E-02 0 1.61E-06 7.15E-07 7.90E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 110 22.4 25.46 70.72 4.67E-02 0 1.48E-06 7.19E-07 7.64E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 115 22.45 26.9 68.83 4.78E-02 0 1.63E-06 8.46E-07 7.72E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 120 22.5 31.2 67.8 4.78E-02 0 1.64E-06 1.02E-06 7.68E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 125 22.55 28.58 67.93 4.62E-02 0 1.62E-06 9.01E-07 7.42E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 130 22.6 25.4 65.4 4.82E-02 0 1.92E-06 9.34E-07 7.60E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 135 22.65 25.08 64.61 5.22E-02 0 2.15E-06 1.03E-06 8.17E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 140 22.7 27.49 68.02 5.06E-02 0 1.78E-06 9.49E-07 8.14E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 145 22.75 33.91 69.4 4.39E-02 0 1.36E-06 9.35E-07 7.13E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 5 150 22.8 119.04 77.65 2.18E-02 0 -2.41E-07 4.43E-07 3.70E-06 03/12/97 Yes Yes 1996 172 1061 C 3 H 6 0 22.8 12.78 53.55 3.43E-02 0 2.11E-06 4.88E-07 4.78E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 5 22.85 23.03 62.94 4.82E-02 0 2.14E-06 9.31E-07 7.44E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 10 22.9 26.17 68.02 4.58E-02 0 1.63E-06 8.19E-07 7.36E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 15 22.95 25.28 65.53 4.77E-02 0 1.90E-06 9.16E-07 7.53E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 20 23 24.95 68.92 4.85E-02 0 1.68E-06 7.99E-07 7.85E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 25 23.05 27.16 71.26 4.78E-02 0 1.45E-06 7.61E-07 7.85E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 30 23.1 24.89 70.22 4.77E-02 0 1.55E-06 7.37E-07 7.78E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 35 23.15 18.32 70.76 4.92E-02 0 1.63E-06 5.52E-07 8.05E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 40 23.2 21.27 71.38 4.85E-02 0 1.53E-06 6.09E-07 7.97E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 45 23.25 23.17 71.48 4.67E-02 0 1.44E-06 6.32E-07 7.67E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 50 23.3 27.15 74.98 4.09E-02 0 1.00E-06 5.25E-07 6.86E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 55 23.35 19.4 71.18 4.04E-02 0 1.30E-06 4.69E-07 6.63E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 60 23.4 22.38 67.45 4.30E-02 0 1.62E-06 6.81E-07 6.89E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 65 23.45 25.52 65.11 4.38E-02 0 1.77E-06 8.62E-07 6.89E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 70 23.5 25.33 70.42 3.94E-02 0 1.27E-06 6.12E-07 6.43E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 75 23.55 23.84 70.24 3.70E-02 0 1.21E-06 5.48E-07 6.04E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 80 23.6 24.8 70.37 3.68E-02 0 1.19E-06 5.63E-07 6.01E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 85 23.65 29.55 73.8 3.46E-02 0 8.92E-07 5.17E-07 5.77E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 90 23.7 30.24 72.82 3.41E-02 0 9.24E-07 5.51E-07 5.65E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 95 23.75 32.31 72.38 3.46E-02 0 9.40E-07 6.08E-07 5.72E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 100 23.8 24.81 71.94 3.53E-02 0 1.05E-06 4.99E-07 5.83E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 105 23.85 19.72 70.31 3.70E-02 0 1.24E-06 4.56E-07 6.04E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 110 23.9 21.8 69.34 3.81E-02 0 1.32E-06 5.41E-07 6.18E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 115 23.95 17.63 71.47 3.75E-02 0 1.21E-06 3.92E-07 6.17E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 120 24 16.62 75.19 3.78E-02 0 9.83E-07 3.00E-07 6.34E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 125 24.05 18.31 73.56 3.80E-02 0 1.08E-06 3.66E-07 6.32E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 130 24.1 6.11 72.3 4.18E-02 0 1.34E-06 1.47E-07 6.91E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 135 24.15 6.49 72.12 4.59E-02 0 1.49E-06 1.73E-07 7.58E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 140 24.2 15.1 69.92 4.90E-02 0 1.72E-06 4.75E-07 7.97E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 145 24.25 16.69 73.24 4.40E-02 0 1.29E-06 3.96E-07 7.31E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 6 150 24.3 221.63 87.76 2.29E-02 0 -7.11E-08 -6.46E-08 3.97E-06 03/12/97 Yes Yes 1998 172 1061 C 3 H 7 0 24.3 354.37 59.54 2.09E-02 0 1.12E-06 -1.13E-07 3.13E-06 03/12/97 Yes Yes 2000 172 1061 C 3 H 7 5 24.35 6.87 70.79 3.75E-02 0 1.30E-06 1.60E-07 6.14E-06 03/12/97 Yes Yes 2000 172 1061 C 3 H 7 10 24.4 6.11 72.04 4.27E-02 0 1.39E-06 1.52E-07 7.04E-06 03/12/97 Yes Yes 2000 172 1061 C 3 H 7 15 24.45 354.45 71.34 4.58E-02 0 1.55E-06 -1.54E-07 7.53E-06 03/12/97 Yes Yes 2000 172 1061 C 3 H 7 20 24.5 2.95 74.48 4.52E-02 0 1.28E-06 6.76E-08 7.55E-06 03/12/97 Yes Yes 2000 172 1061 C 3 H 7 25 24.55 26.3 74.7 4.38E-02 0 1.10E-06 5.55E-07 7.32E-06 03/12/97 Yes Yes 2000 172 1061 C 3 H 7 30 24.6 12.25 68.47 5.06E-02 0 1.92E-06 4.27E-07 8.16E-06 03/12/97 Yes Yes 2000 172 1061 C 3 H 7 35 24.65 24.33 80.96 6.70E-02 0 1.02E-06 4.70E-07 1.15E-05 03/12/97 Yes Yes 2000 172 1061 C 3 H 7 40 24.7 134.91 78.95 4.92E-02 0 -7.07E-07 7.25E-07 8.38E-06 03/12/97 Yes Yes 2000 172 1061 C 3 H 7 45 24.75 10.5 60.68 3.77E-02 0 1.93E-06 3.65E-07 5.70E-06 03/12/97 Yes Yes 2000 172 1061 C 3 H 7 50 24.8 357.75 66.01 5.18E-02 0 2.23E-06 -8.96E-08 8.21E-06 03/12/97 Yes Yes 2000 172 1061 C 4 H 1 0 24.8 341.62 57.26 2.38E-02 0 1.29E-06 -4.40E-07 3.47E-06 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 5 24.85 344.08 54.51 5.91E-02 0 3.50E-06 -1.02E-06 8.34E-06 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 10 24.9 338.48 54.58 7.35E-02 0 4.21E-06 -1.70E-06 1.04E-05 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 15 24.95 337.66 56.55 7.94E-02 0 4.29E-06 -1.80E-06 1.15E-05 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 20 25 343.56 56.45 8.50E-02 0 4.78E-06 -1.44E-06 1.23E-05 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 25 25.05 344.27 53.77 8.75E-02 0 5.28E-06 -1.52E-06 1.22E-05 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 30 25.1 342.34 52.22 8.77E-02 0 5.43E-06 -1.77E-06 1.20E-05 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 35 25.15 345.08 50.87 8.75E-02 0 5.66E-06 -1.54E-06 1.18E-05 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 40 25.2 344.61 53.51 7.85E-02 0 4.77E-06 -1.34E-06 1.09E-05 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 45 25.25 344.91 47.82 8.14E-02 0 5.60E-06 -1.54E-06 1.05E-05 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 50 25.3 342.91 44.48 9.10E-02 0 6.58E-06 -2.07E-06 1.11E-05 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 55 25.35 340.92 47.47 9.48E-02 0 6.42E-06 -2.27E-06 1.21E-05 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 60 25.4 339.27 51.88 9.25E-02 0 5.66E-06 -2.19E-06 1.26E-05 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 65 25.45 340.8 54.63 8.71E-02 0 5.05E-06 -1.80E-06 1.23E-05 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 70 25.5 341.32 57.41 7.82E-02 0 4.23E-06 -1.46E-06 1.14E-05 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 75 25.55 340.6 57.5 7.28E-02 0 3.91E-06 -1.41E-06 1.06E-05 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 80 25.6 336.95 54.79 7.32E-02 0 4.12E-06 -1.79E-06 1.04E-05 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 85 25.65 334.89 57.05 6.75E-02 0 3.53E-06 -1.69E-06 9.82E-06 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 90 25.7 333.8 58.03 6.30E-02 0 3.18E-06 -1.60E-06 9.27E-06 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 95 25.75 335.44 58.04 6.32E-02 0 3.23E-06 -1.51E-06 9.30E-06 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 100 25.8 338.09 57.36 6.04E-02 0 3.21E-06 -1.32E-06 8.82E-06 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 105 25.85 344.4 59.6 5.19E-02 0 2.68E-06 -7.67E-07 7.76E-06 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 110 25.9 346.31 59.27 4.70E-02 0 2.47E-06 -6.16E-07 7.00E-06 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 115 25.95 345.46 61.36 4.39E-02 0 2.16E-06 -5.73E-07 6.68E-06 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 120 26 347.57 58.92 4.32E-02 0 2.31E-06 -5.21E-07 6.41E-06 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 125 26.05 348.22 58.81 4.24E-02 0 2.28E-06 -4.86E-07 6.29E-06 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 130 26.1 344.21 63.5 3.49E-02 0 1.59E-06 -4.59E-07 5.41E-06 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 135 26.15 343.2 57.73 3.27E-02 0 1.77E-06 -5.46E-07 4.79E-06 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 140 26.2 344.56 58.94 2.99E-02 0 1.58E-06 -4.46E-07 4.45E-06 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 145 26.25 340.8 64.25 2.08E-02 0 9.05E-07 -3.22E-07 3.25E-06 03/12/97 Yes Yes 2002 172 1061 C 4 H 1 150 26.3 22.32 77.11 1.18E-02 0 2.58E-07 1.08E-07 1.99E-06 03/12/97 Yes Yes 2002 172 1061 C 4 H 2 0 26.3 358.5 47.48 6.53E-03 0 4.68E-07 -1.25E-08 8.34E-07 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 5 26.35 357.02 61.32 9.93E-03 0 5.05E-07 -2.68E-08 1.51E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 10 26.4 354.48 69.19 9.93E-03 0 3.72E-07 -3.68E-08 1.61E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 15 26.45 358.08 69.45 9.23E-03 0 3.44E-07 -1.18E-08 1.50E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 20 26.5 355.3 68.75 9.05E-03 0 3.47E-07 -2.91E-08 1.46E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 25 26.55 356.71 70.41 8.70E-03 0 3.09E-07 -1.82E-08 1.42E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 30 26.6 352.71 66.77 8.41E-03 0 3.49E-07 -4.57E-08 1.34E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 35 26.65 3.78 68.79 7.82E-03 0 2.99E-07 2.03E-08 1.26E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 40 26.7 0.28 66.01 7.89E-03 0 3.40E-07 1.70E-09 1.25E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 45 26.75 355.78 65.46 7.99E-03 0 3.51E-07 -2.65E-08 1.26E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 50 26.8 358.73 64.9 8.02E-03 0 3.61E-07 -8.15E-09 1.26E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 55 26.85 356.72 66.35 7.78E-03 0 3.30E-07 -1.94E-08 1.24E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 60 26.9 356.1 66.21 7.62E-03 0 3.25E-07 -2.27E-08 1.21E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 65 26.95 358.14 65 8.30E-03 0 3.72E-07 -1.23E-08 1.30E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 70 27 5.1 66.28 8.97E-03 0 3.81E-07 3.48E-08 1.42E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 75 27.05 7.83 65.52 1.00E-02 0 4.37E-07 6.14E-08 1.58E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 80 27.1 338.92 66.96 9.98E-03 0 3.86E-07 -1.52E-07 1.59E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 85 27.15 359.68 69.07 9.96E-03 0 3.77E-07 -2.17E-09 1.61E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 90 27.2 356.84 70.29 1.05E-02 0 3.77E-07 -2.13E-08 1.72E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 95 27.25 353.19 69.13 1.10E-02 0 4.12E-07 -5.04E-08 1.78E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 100 27.3 352.8 64.3 1.13E-02 0 5.18E-07 -6.68E-08 1.77E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 105 27.35 349.47 60.29 1.18E-02 0 6.09E-07 -1.16E-07 1.77E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 110 27.4 357.63 61.2 1.25E-02 0 6.41E-07 -2.71E-08 1.91E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 115 27.45 352.73 63.12 1.27E-02 0 6.03E-07 -7.87E-08 1.96E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 120 27.5 351.14 63.42 1.26E-02 0 5.93E-07 -9.45E-08 1.96E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 125 27.55 354.36 64.63 1.26E-02 0 5.68E-07 -5.74E-08 1.97E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 130 27.6 357.37 65.18 1.24E-02 0 5.49E-07 -2.58E-08 1.94E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 135 27.65 354.42 66.01 1.20E-02 0 5.13E-07 -5.13E-08 1.89E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 140 27.7 345.59 63.33 1.34E-02 0 6.19E-07 -1.63E-07 2.08E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 145 27.75 346.28 54.9 1.57E-02 0 9.33E-07 -2.33E-07 2.23E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 2 150 27.8 348.73 61.68 1.16E-02 0 5.71E-07 -1.16E-07 1.77E-06 03/12/97 Yes Yes 2004 172 1061 C 4 H 3 0 27.8 351.96 48.05 1.11E-02 0 7.83E-07 -1.13E-07 1.44E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 5 27.85 349.03 51.86 2.44E-02 0 1.57E-06 -3.11E-07 3.32E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 10 27.9 350.92 54.25 2.78E-02 0 1.70E-06 -2.77E-07 3.90E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 15 27.95 353.35 60.93 2.37E-02 0 1.21E-06 -1.45E-07 3.59E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 20 28 355.6 71.46 1.57E-02 0 5.26E-07 -4.14E-08 2.57E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 25 28.05 346.2 69 1.43E-02 0 5.27E-07 -1.32E-07 2.31E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 30 28.1 329.76 75.69 1.40E-02 0 3.18E-07 -1.89E-07 2.36E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 35 28.15 353.5 73.34 1.28E-02 0 3.86E-07 -4.49E-08 2.12E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 40 28.2 354.63 69.57 1.21E-02 0 4.45E-07 -4.28E-08 1.96E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 45 28.25 353.7 69.16 1.20E-02 0 4.51E-07 -5.08E-08 1.95E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 50 28.3 349.81 75.57 1.13E-02 0 2.95E-07 -5.42E-08 1.90E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 55 28.35 356.5 74.03 1.06E-02 0 3.09E-07 -1.93E-08 1.77E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 60 28.4 353.31 72.25 1.11E-02 0 3.57E-07 -4.28E-08 1.84E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 65 28.45 1.55 71.07 1.13E-02 0 3.90E-07 1.08E-08 1.86E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 70 28.5 1.7 70.36 1.19E-02 0 4.25E-07 1.29E-08 1.95E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 75 28.55 358.45 71.06 1.19E-02 0 4.08E-07 -1.13E-08 1.95E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 80 28.6 356.47 62.92 1.30E-02 0 6.25E-07 -3.94E-08 2.00E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 85 28.65 356.31 60.64 1.31E-02 0 6.78E-07 -4.47E-08 1.97E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 90 28.7 0.7 63.54 1.06E-02 0 5.01E-07 6.26E-09 1.65E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 95 28.75 0.77 71.57 8.07E-03 0 2.70E-07 3.70E-09 1.33E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 100 28.8 355.5 76.03 6.37E-03 0 1.63E-07 -1.31E-08 1.07E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 105 28.85 7.58 69.7 6.21E-03 0 2.27E-07 3.08E-08 1.01E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 110 28.9 351.31 68.25 6.46E-03 0 2.51E-07 -3.92E-08 1.04E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 115 28.95 2.47 66.98 6.88E-03 0 2.85E-07 1.25E-08 1.10E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 120 29 10.82 66.31 8.65E-03 0 3.62E-07 7.08E-08 1.37E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 125 29.05 16.31 68.95 1.03E-02 0 3.78E-07 1.13E-07 1.67E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 130 29.1 358.62 69.33 1.20E-02 0 4.49E-07 -1.11E-08 1.95E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 135 29.15 352.63 61.25 1.75E-02 0 8.83E-07 -1.17E-07 2.65E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 140 29.2 350.14 58.99 2.37E-02 0 1.28E-06 -2.27E-07 3.52E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 145 29.25 356.11 63.87 2.22E-02 0 1.04E-06 -7.20E-08 3.46E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 3 150 29.3 340.5 78.54 1.17E-02 0 2.32E-07 -8.39E-08 1.98E-06 03/12/97 Yes Yes 2006 172 1061 C 4 H 4 0 29.3 14.08 63.33 4.92E-03 0 2.27E-07 5.83E-08 7.63E-07 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 5 29.35 344.33 72.7 9.67E-03 0 2.94E-07 -8.42E-08 1.60E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 10 29.4 334.59 65.64 1.37E-02 0 5.40E-07 -2.62E-07 2.16E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 15 29.45 338.6 61.49 1.78E-02 0 8.40E-07 -3.37E-07 2.71E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 20 29.5 339.93 71.11 1.62E-02 0 5.21E-07 -1.95E-07 2.65E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 25 29.55 335.62 76.86 1.41E-02 0 3.10E-07 -1.44E-07 2.38E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 30 29.6 357.74 74.51 1.34E-02 0 3.80E-07 -1.53E-08 2.24E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 35 29.65 355.1 72.26 1.36E-02 0 4.37E-07 -3.83E-08 2.24E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 40 29.7 347.66 71.52 1.36E-02 0 4.47E-07 -1.00E-07 2.24E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 45 29.75 341 71.83 1.39E-02 0 4.34E-07 -1.53E-07 2.29E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 50 29.8 345.58 70.26 1.42E-02 0 4.94E-07 -1.30E-07 2.32E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 55 29.85 347.22 66.17 1.53E-02 0 6.40E-07 -1.48E-07 2.43E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 60 29.9 352.23 64.06 1.71E-02 0 7.85E-07 -1.09E-07 2.66E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 65 29.95 355.95 63.02 1.76E-02 0 8.47E-07 -6.13E-08 2.73E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 70 30 356.33 65.94 1.60E-02 0 6.89E-07 -4.53E-08 2.53E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 75 30.05 351.63 70.88 1.32E-02 0 4.52E-07 -6.80E-08 2.15E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 80 30.1 355 69.41 1.24E-02 0 4.61E-07 -4.12E-08 2.01E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 85 30.15 354.06 69.77 1.23E-02 0 4.49E-07 -4.78E-08 2.00E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 90 30.2 354.91 75.36 1.10E-02 0 2.94E-07 -2.68E-08 1.85E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 95 30.25 0.73 67.56 1.17E-02 0 4.75E-07 6.21E-09 1.88E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 100 30.3 350.12 67.23 1.48E-02 0 5.97E-07 -1.06E-07 2.36E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 105 30.35 345.9 69.06 1.63E-02 0 5.98E-07 -1.54E-07 2.64E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 110 30.4 343.42 65.76 1.79E-02 0 7.46E-07 -2.27E-07 2.83E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 115 30.45 337.02 63.86 1.87E-02 0 8.03E-07 -3.48E-07 2.90E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 120 30.5 334.91 68.07 1.81E-02 0 6.48E-07 -3.10E-07 2.90E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 125 30.55 336.95 71.19 1.72E-02 0 5.40E-07 -2.35E-07 2.82E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 130 30.6 339.75 70.06 1.68E-02 0 5.71E-07 -2.15E-07 2.74E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 135 30.65 339.32 66.17 1.81E-02 0 7.26E-07 -2.80E-07 2.87E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 140 30.7 333.81 64.21 1.92E-02 0 7.96E-07 -4.00E-07 3.00E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 145 30.75 334.78 63.3 1.69E-02 0 7.27E-07 -3.50E-07 2.61E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 4 150 30.8 317.09 78.04 7.53E-03 0 1.21E-07 -1.15E-07 1.28E-06 03/12/97 Yes Yes 2008 172 1061 C 4 H 5 0 30.8 338.85 50.91 1.17E-02 0 7.30E-07 -2.89E-07 1.57E-06 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 5 30.85 334.44 62.48 1.72E-02 0 7.60E-07 -3.71E-07 2.64E-06 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 10 30.9 333.58 65.01 1.66E-02 0 6.67E-07 -3.39E-07 2.61E-06 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 15 30.95 334.59 65.23 1.58E-02 0 6.36E-07 -3.09E-07 2.49E-06 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 20 31 334.1 67.95 1.47E-02 0 5.27E-07 -2.62E-07 2.36E-06 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 25 31.05 338.14 69.72 1.27E-02 0 4.34E-07 -1.78E-07 2.07E-06 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 30 31.1 343.91 68.63 1.13E-02 0 4.20E-07 -1.24E-07 1.83E-06 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 35 31.15 331.53 70.96 9.87E-03 0 3.00E-07 -1.67E-07 1.62E-06 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 40 31.2 303.05 77.58 9.17E-03 0 1.14E-07 -1.79E-07 1.55E-06 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 45 31.25 6.82 74.94 8.72E-03 0 2.39E-07 2.92E-08 1.46E-06 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 50 31.3 341.08 65.57 1.03E-02 0 4.25E-07 -1.49E-07 1.62E-06 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 55 31.35 333.82 66.84 1.12E-02 0 4.20E-07 -2.11E-07 1.79E-06 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 60 31.4 332.51 68.86 1.07E-02 0 3.61E-07 -1.92E-07 1.72E-06 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 65 31.45 349.41 60.67 1.28E-02 0 6.52E-07 -1.25E-07 1.93E-06 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 70 31.5 349.81 62.36 1.45E-02 0 7.01E-07 -1.29E-07 2.22E-06 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 75 31.55 0.34 68.42 1.40E-02 0 5.45E-07 3.32E-09 2.25E-06 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 80 31.6 335.79 67.17 1.34E-02 0 5.03E-07 -2.31E-07 2.14E-06 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 85 31.65 344.29 64.6 1.27E-02 0 5.55E-07 -1.60E-07 1.98E-06 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 90 31.7 349.89 73.16 1.01E-02 0 3.05E-07 -5.56E-08 1.67E-06 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 95 31.75 342.03 73.48 8.41E-03 0 2.41E-07 -8.00E-08 1.40E-06 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 100 31.8 0.04 61.05 1.12E-02 0 5.74E-07 4.20E-10 1.70E-06 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 105 31.85 0.94 56.35 1.53E-02 0 9.00E-07 1.51E-08 2.21E-06 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 110 31.9 0.58 66.82 1.42E-02 0 5.92E-07 6.10E-09 2.26E-06 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 115 31.95 357 75.65 1.00E-02 0 2.64E-07 -1.41E-08 1.69E-06 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 120 32 354.44 70.89 1.00E-02 0 3.47E-07 -3.46E-08 1.65E-06 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 125 32.05 341.5 77.16 8.65E-03 0 1.93E-07 -6.61E-08 1.46E-06 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 130 32.1 354.47 70.77 8.26E-03 0 2.87E-07 -2.84E-08 1.35E-06 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 135 32.15 359.06 73.62 8.15E-03 0 2.44E-07 -4.09E-09 1.36E-06 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 140 32.2 13.67 69.97 6.93E-03 0 2.45E-07 6.09E-08 1.13E-06 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 145 32.25 1.4 77.75 5.47E-03 0 1.23E-07 3.08E-09 9.27E-07 03/12/97 Yes Yes 2010 172 1061 C 4 H 5 150 32.3 212.38 68.68 2.13E-03 0 -6.94E-08 -4.50E-08 3.44E-07 03/12/97 Yes Yes 2010 172 1061 C 4 H 6 0 32.3 23.92 54.87 4.71E-03 0 2.63E-07 1.19E-07 6.68E-07 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 5 32.35 359.88 64.81 8.93E-03 0 4.03E-07 -8.58E-10 1.40E-06 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 10 32.4 3.54 64.15 1.02E-02 0 4.69E-07 2.97E-08 1.59E-06 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 15 32.45 3.28 74.98 8.46E-03 0 2.32E-07 1.36E-08 1.42E-06 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 20 32.5 303.52 82.27 5.94E-03 0 4.68E-08 -7.22E-08 1.02E-06 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 25 32.55 349.28 69.12 7.27E-03 0 2.70E-07 -5.23E-08 1.18E-06 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 30 32.6 3.17 65.69 9.65E-03 0 4.21E-07 2.39E-08 1.52E-06 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 35 32.65 351.03 69.83 1.01E-02 0 3.64E-07 -5.88E-08 1.64E-06 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 40 32.7 351.54 70.55 1.04E-02 0 3.62E-07 -5.51E-08 1.70E-06 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 45 32.75 358.24 69.42 1.07E-02 0 3.98E-07 -1.25E-08 1.73E-06 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 50 32.8 5.57 71.35 1.05E-02 0 3.54E-07 3.52E-08 1.72E-06 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 55 32.85 1.49 69.69 9.89E-03 0 3.64E-07 9.69E-09 1.61E-06 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 60 32.9 6.53 70.13 9.55E-03 0 3.42E-07 4.00E-08 1.56E-06 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 65 32.95 2.68 71.32 9.36E-03 0 3.18E-07 1.52E-08 1.54E-06 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 70 33 350.7 71.16 9.62E-03 0 3.25E-07 -5.44E-08 1.58E-06 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 75 33.05 345.27 70.65 9.90E-03 0 3.37E-07 -9.05E-08 1.62E-06 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 80 33.1 345.7 68.73 1.06E-02 0 3.95E-07 -1.03E-07 1.71E-06 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 85 33.15 354.89 70.62 1.05E-02 0 3.69E-07 -3.38E-08 1.72E-06 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 90 33.2 359.65 70.57 1.04E-02 0 3.69E-07 -2.29E-09 1.71E-06 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 95 33.25 345.46 65.05 1.08E-02 0 4.69E-07 -1.24E-07 1.70E-06 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 100 33.3 348.39 65.94 1.03E-02 0 4.34E-07 -9.13E-08 1.62E-06 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 105 33.35 1.95 75.19 7.83E-03 0 2.12E-07 7.38E-09 1.31E-06 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 110 33.4 349.5 80.92 6.68E-03 0 1.10E-07 -2.08E-08 1.14E-06 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 115 33.45 348.36 78.13 6.28E-03 0 1.34E-07 -2.83E-08 1.07E-06 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 120 33.5 352.06 72.99 6.82E-03 0 2.10E-07 -2.99E-08 1.13E-06 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 125 33.55 349.52 68.75 8.23E-03 0 3.11E-07 -5.89E-08 1.33E-06 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 130 33.6 354.17 68.13 9.98E-03 0 3.92E-07 -4.09E-08 1.61E-06 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 135 33.65 355.16 71.01 1.06E-02 0 3.66E-07 -3.17E-08 1.74E-06 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 140 33.7 353.86 69.98 1.11E-02 0 4.02E-07 -4.42E-08 1.81E-06 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 145 33.75 350.76 69.15 1.04E-02 0 3.89E-07 -6.47E-08 1.69E-06 03/12/97 Yes Yes 2012 172 1061 C 4 H 6 150 33.8 301.68 86.85 4.99E-03 0 1.53E-08 -2.53E-08 8.64E-07 03/12/97 Yes Yes 2012 172 1061 C 4 H 7 0 33.8 355.36 59.08 6.33E-03 0 3.44E-07 -2.86E-08 9.42E-07 03/12/97 Yes Yes 2014 172 1061 C 4 H 7 5 33.85 348.44 68.78 1.10E-02 0 4.13E-07 -8.64E-08 1.77E-06 03/12/97 Yes Yes 2014 172 1061 C 4 H 7 10 33.9 349.01 68.06 1.35E-02 0 5.25E-07 -1.04E-07 2.17E-06 03/12/97 Yes Yes 2014 172 1061 C 4 H 7 15 33.95 337.01 60.61 1.78E-02 0 8.51E-07 -3.69E-07 2.68E-06 03/12/97 Yes Yes 2014 172 1061 C 4 H 7 20 34 335.99 64 2.00E-02 0 8.49E-07 -3.87E-07 3.12E-06 03/12/97 Yes Yes 2014 172 1061 C 4 H 7 25 34.05 347.27 72.21 1.80E-02 0 5.70E-07 -1.32E-07 2.97E-06 03/12/97 Yes Yes 2014 172 1061 C 4 H 7 30 34.1 348.29 69.37 1.62E-02 0 5.94E-07 -1.26E-07 2.63E-06 03/12/97 Yes Yes 2014 172 1061 C 4 H 7 35 34.15 340.37 70.15 1.51E-02 0 5.11E-07 -1.86E-07 2.46E-06 03/12/97 Yes Yes 2014 172 1061 C 4 H 7 40 34.2 331.52 72.36 1.43E-02 0 4.05E-07 -2.24E-07 2.37E-06 03/12/97 Yes Yes 2014 172 1061 C 4 H 7 45 34.25 342.46 69.41 1.67E-02 0 5.95E-07 -1.92E-07 2.71E-06 03/12/97 Yes Yes 2014 172 1061 C 4 H 7 50 34.3 343.16 70.73 2.24E-02 0 7.50E-07 -2.32E-07 3.66E-06 03/12/97 Yes Yes 2014 172 1061 C 4 H 7 55 34.35 194.34 84.57 2.25E-02 0 -2.19E-07 -5.72E-08 3.89E-06 03/12/97 Yes Yes 2014 172 1061 C 4 H 7 60 34.4 261.64 86.44 1.08E-02 0 -1.03E-08 -7.17E-08 1.86E-06 03/12/97 Yes Yes 2014 172 1061 C 4 H 7 65 34.45 335.72 58.51 7.74E-03 0 3.91E-07 -1.80E-07 1.14E-06 03/12/97 Yes Yes 2014 172 1061 C 4 H 7 70 34.5 354.05 71.13 4.07E-03 0 1.39E-07 -1.48E-08 6.68E-07 03/12/97 Yes Yes 2014 172 1061 C 5 H 1 0 34.3 333.05 75.5 3.70E-02 0 8.75E-07 -4.55E-07 6.20E-06 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 5 34.35 298.31 71.86 5.53E-02 0 8.66E-07 -1.64E-06 9.11E-06 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 10 34.4 346.82 46.35 7.08E-02 0 5.04E-06 -1.21E-06 8.88E-06 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 15 34.45 354.61 52.59 9.77E-02 0 6.27E-06 -6.05E-07 1.35E-05 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 20 34.5 310.45 65.01 1.15E-01 0 3.34E-06 -4.01E-06 1.81E-05 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 25 34.55 285.01 81.42 8.21E-02 0 3.37E-07 -1.28E-06 1.41E-05 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 30 34.6 97.4 83.2 4.13E-02 0 -6.68E-08 5.26E-07 7.11E-06 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 35 34.65 43.23 79.68 2.54E-02 0 3.51E-07 3.38E-07 4.33E-06 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 40 34.7 341.5 63.08 2.59E-02 0 1.18E-06 -4.04E-07 4.00E-06 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 45 34.75 321.73 78.15 2.84E-02 0 4.86E-07 -3.92E-07 4.83E-06 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 50 34.8 7 80.95 2.39E-02 0 3.95E-07 4.96E-08 4.08E-06 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 55 34.85 349.8 72.22 2.39E-02 0 7.63E-07 -1.40E-07 3.95E-06 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 60 34.9 352.65 72.13 2.41E-02 0 7.78E-07 -1.03E-07 3.97E-06 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 65 34.95 21.4 67.2 2.43E-02 0 9.31E-07 3.73E-07 3.89E-06 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 70 35 19.34 69.92 2.47E-02 0 8.47E-07 3.04E-07 4.01E-06 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 75 35.05 0.28 76.4 2.37E-02 0 5.92E-07 2.98E-09 4.00E-06 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 80 35.1 357.85 74.74 2.33E-02 0 6.50E-07 -2.50E-08 3.90E-06 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 85 35.15 0.75 73.68 2.41E-02 0 7.19E-07 9.66E-09 4.01E-06 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 90 35.2 3.04 72.6 2.41E-02 0 7.63E-07 4.15E-08 3.99E-06 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 95 35.25 3.91 66.31 2.66E-02 0 1.13E-06 7.91E-08 4.22E-06 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 100 35.3 0.95 66.7 3.04E-02 0 1.28E-06 2.17E-08 4.84E-06 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 105 35.35 359.24 76.87 2.69E-02 0 6.47E-07 -8.76E-09 4.54E-06 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 110 35.4 357.04 72.66 2.55E-02 0 8.05E-07 -4.26E-08 4.22E-06 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 115 35.45 0.33 69.78 2.59E-02 0 9.49E-07 5.59E-09 4.21E-06 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 120 35.5 355.4 71.19 2.49E-02 0 8.48E-07 -6.97E-08 4.08E-06 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 125 35.55 358.27 70.38 2.36E-02 0 8.41E-07 -2.59E-08 3.86E-06 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 130 35.6 2.12 69.2 2.44E-02 0 9.19E-07 3.48E-08 3.96E-06 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 135 35.65 356.09 66.95 2.55E-02 0 1.06E-06 -7.39E-08 4.07E-06 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 140 35.7 356.72 64.28 2.61E-02 0 1.20E-06 -7.02E-08 4.07E-06 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 145 35.75 3.48 66.03 2.10E-02 0 9.04E-07 5.62E-08 3.33E-06 03/12/97 Yes Yes 2016 172 1061 C 5 H 1 150 35.8 114.56 82.34 8.39E-03 0 -4.93E-08 1.10E-07 1.44E-06 03/12/97 Yes Yes 2016 172 1061 C 5 H 2 0 35.8 348.85 48.61 1.09E-02 0 7.47E-07 -1.51E-07 1.41E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 5 35.85 356.29 56.25 2.05E-02 0 1.21E-06 -7.99E-08 2.96E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 10 35.9 1.1 59.86 2.25E-02 0 1.20E-06 2.36E-08 3.38E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 15 35.95 11.22 63.55 2.24E-02 0 1.04E-06 2.10E-07 3.47E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 20 36 28.85 53.96 2.30E-02 0 1.26E-06 7.07E-07 3.22E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 25 36.05 0.13 50.2 2.72E-02 0 1.85E-06 4.31E-09 3.63E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 30 36.1 242.39 27.4 8.71E-02 0 -3.80E-06 -7.43E-06 6.95E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 35 36.15 186.98 35.65 7.17E-02 0 -6.13E-06 -7.68E-07 7.24E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 40 36.2 35.52 49.46 2.89E-02 0 1.62E-06 1.18E-06 3.80E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 45 36.25 4.53 47.03 2.75E-02 0 1.98E-06 1.60E-07 3.49E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 50 36.3 9.07 61.51 2.49E-02 0 1.24E-06 2.03E-07 3.79E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 55 36.35 4.01 66.82 2.41E-02 0 1.00E-06 7.21E-08 3.85E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 60 36.4 358.99 62.32 2.83E-02 0 1.39E-06 -2.50E-08 4.34E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 65 36.45 356.48 61.94 2.95E-02 0 1.47E-06 -9.26E-08 4.52E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 70 36.5 352.87 61.33 3.17E-02 0 1.60E-06 -2.05E-07 4.82E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 75 36.55 9.19 59.99 3.79E-02 0 1.99E-06 3.29E-07 5.70E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 80 36.6 349.42 67.14 3.95E-02 0 1.60E-06 -3.06E-07 6.32E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 85 36.65 342.43 68.83 3.41E-02 0 1.25E-06 -4.03E-07 5.51E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 90 36.7 358.13 64.16 3.65E-02 0 1.69E-06 -5.64E-08 5.69E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 95 36.75 1.49 69.53 3.47E-02 0 1.29E-06 3.43E-08 5.64E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 100 36.8 17.63 64.15 3.26E-02 0 1.44E-06 4.67E-07 5.09E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 105 36.85 24.39 55.93 3.97E-02 0 2.15E-06 9.95E-07 5.70E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 110 36.9 24.77 56.83 4.43E-02 0 2.34E-06 1.10E-06 6.43E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 115 36.95 20.39 60.96 4.45E-02 0 2.15E-06 8.17E-07 6.75E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 120 37 11.82 60.94 4.67E-02 0 2.36E-06 5.04E-07 7.08E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 125 37.05 5 61.25 4.79E-02 0 2.43E-06 2.18E-07 7.28E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 130 37.1 2.71 62.54 5.12E-02 0 2.50E-06 1.21E-07 7.88E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 135 37.15 3.51 59.2 5.70E-02 0 3.09E-06 1.94E-07 8.48E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 140 37.2 0.41 55.07 6.18E-02 0 3.76E-06 2.74E-08 8.79E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 145 37.25 357.61 57.73 5.85E-02 0 3.31E-06 -1.41E-07 8.58E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 2 150 37.3 352.93 79.81 3.11E-02 0 5.80E-07 -7.35E-08 5.31E-06 03/12/97 Yes Yes 2018 172 1061 C 5 H 3 0 37.3 333.56 52.1 3.46E-02 0 2.02E-06 -1.03E-06 4.74E-06 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 5 37.35 335.41 58.69 4.87E-02 0 2.44E-06 -1.14E-06 7.22E-06 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 10 37.4 349.49 62.23 4.65E-02 0 2.26E-06 -4.28E-07 7.13E-06 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 15 37.45 2.57 60.91 4.40E-02 0 2.26E-06 1.04E-07 6.66E-06 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 20 37.5 7.64 55.38 4.63E-02 0 2.76E-06 3.79E-07 6.60E-06 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 25 37.55 3.08 56.91 5.04E-02 0 2.91E-06 1.60E-07 7.32E-06 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 30 37.6 3.52 58.37 5.10E-02 0 2.83E-06 1.78E-07 7.52E-06 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 35 37.65 9.34 52.4 5.71E-02 0 3.65E-06 6.14E-07 7.85E-06 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 40 37.7 9.22 55.06 5.51E-02 0 3.31E-06 5.49E-07 7.84E-06 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 45 37.75 11.42 55.88 5.16E-02 0 3.01E-06 6.22E-07 7.41E-06 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 50 37.8 16.6 53.9 4.74E-02 0 2.84E-06 8.66E-07 6.64E-06 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 55 37.85 13.38 53.09 4.47E-02 0 2.77E-06 6.74E-07 6.20E-06 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 60 37.9 5.3 58.98 4.14E-02 0 2.25E-06 2.14E-07 6.15E-06 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 65 37.95 358.76 53.98 4.54E-02 0 2.83E-06 -6.27E-08 6.36E-06 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 70 38 351.16 47.65 5.26E-02 0 3.72E-06 -5.91E-07 6.74E-06 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 75 38.05 0.12 49.17 5.90E-02 0 4.09E-06 8.57E-09 7.74E-06 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 80 38.1 0.23 47.08 6.92E-02 0 5.00E-06 2.03E-08 8.78E-06 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 85 38.15 355.43 40.18 9.87E-02 0 7.97E-06 -6.51E-07 1.10E-05 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 90 38.2 26.74 65.85 7.60E-02 0 2.94E-06 1.52E-06 1.20E-05 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 95 38.25 354.38 53.19 5.55E-02 0 3.51E-06 -3.53E-07 7.70E-06 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 100 38.3 352.8 45.43 5.01E-02 0 3.70E-06 -4.78E-07 6.19E-06 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 105 38.35 2.74 49.66 4.68E-02 0 3.21E-06 1.57E-07 6.18E-06 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 110 38.4 8.57 48.55 5.40E-02 0 3.75E-06 5.78E-07 7.01E-06 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 115 38.45 13.07 52.46 5.45E-02 0 3.43E-06 8.15E-07 7.50E-06 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 120 38.5 14.65 65.13 4.79E-02 0 2.07E-06 5.53E-07 7.54E-06 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 125 38.55 14.95 63.27 4.85E-02 0 2.24E-06 6.11E-07 7.51E-06 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 130 38.6 18.4 49.04 7.12E-02 0 4.70E-06 1.60E-06 9.33E-06 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 135 38.65 18.62 49.93 8.76E-02 0 5.67E-06 1.95E-06 1.16E-05 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 140 38.7 11.84 55.94 8.32E-02 0 4.84E-06 1.04E-06 1.19E-05 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 145 38.75 4.9 61.64 6.29E-02 0 3.16E-06 2.77E-07 9.60E-06 03/12/97 Yes Yes 2020 172 1061 C 5 H 3 150 38.8 65.72 76.3 2.82E-02 0 2.91E-07 6.60E-07 4.75E-06 03/12/97 Yes Yes 2020 172 1061 C 5 H 4 0 38.8 5.71 47.77 4.35E-02 0 3.08E-06 3.15E-07 5.58E-06 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 5 38.85 10.96 52.69 7.03E-02 0 4.44E-06 8.79E-07 9.69E-06 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 10 38.9 13.04 54.1 7.46E-02 0 4.52E-06 1.07E-06 1.05E-05 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 15 38.95 16.18 52.81 7.03E-02 0 4.33E-06 1.28E-06 9.71E-06 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 20 39 15.28 51.93 6.78E-02 0 4.28E-06 1.20E-06 9.26E-06 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 25 39.05 10.92 53.95 6.64E-02 0 4.07E-06 8.03E-07 9.31E-06 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 30 39.1 12.17 54.58 6.23E-02 0 3.74E-06 8.26E-07 8.80E-06 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 35 39.15 19.56 51.42 6.12E-02 0 3.82E-06 1.39E-06 8.30E-06 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 40 39.2 7.23 56.27 5.77E-02 0 3.37E-06 4.37E-07 8.32E-06 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 45 39.25 353.99 53.1 5.95E-02 0 3.77E-06 -4.06E-07 8.25E-06 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 50 39.3 2.74 60.38 5.76E-02 0 3.01E-06 1.47E-07 8.68E-06 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 55 39.35 3.79 62.78 4.96E-02 0 2.40E-06 1.63E-07 7.64E-06 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 60 39.4 353.35 58.97 5.41E-02 0 2.94E-06 -3.51E-07 8.04E-06 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 65 39.45 1.01 60.52 5.76E-02 0 3.00E-06 5.43E-08 8.69E-06 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 70 39.5 359.43 57.99 6.06E-02 0 3.41E-06 -3.49E-08 8.91E-06 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 75 39.55 356.85 58.67 5.91E-02 0 3.25E-06 -1.83E-07 8.74E-06 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 80 39.6 4.42 57.25 5.60E-02 0 3.20E-06 2.53E-07 8.17E-06 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 85 39.65 11.48 56.38 5.55E-02 0 3.19E-06 6.63E-07 8.01E-06 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 90 39.7 21.38 60.51 5.21E-02 0 2.53E-06 1.01E-06 7.86E-06 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 95 39.75 20.34 70.01 4.52E-02 0 1.54E-06 5.82E-07 7.36E-06 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 100 39.8 359.94 65.79 4.74E-02 0 2.06E-06 -2.20E-09 7.49E-06 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 105 39.85 353.3 62.56 4.97E-02 0 2.41E-06 -2.90E-07 7.64E-06 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 110 39.9 5.66 62.06 5.05E-02 0 2.50E-06 2.53E-07 7.73E-06 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 115 39.95 17.87 60.06 5.43E-02 0 2.74E-06 9.02E-07 8.16E-06 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 120 40 337.31 52.61 6.95E-02 0 4.13E-06 -1.77E-06 9.57E-06 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 125 40.05 328.28 81.58 7.80E-02 0 1.03E-06 -6.52E-07 1.34E-05 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 130 40.1 73.93 65.39 5.96E-02 0 7.28E-07 2.58E-06 9.39E-06 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 135 40.15 14.35 61.24 5.63E-02 0 2.78E-06 7.28E-07 8.55E-06 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 140 40.2 17.18 57.54 5.93E-02 0 3.23E-06 1.02E-06 8.68E-06 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 145 40.25 37.58 65 5.41E-02 0 1.92E-06 1.51E-06 8.50E-06 03/12/97 Yes Yes 2022 172 1061 C 5 H 4 150 40.3 153.06 78.35 2.61E-02 0 -4.99E-07 2.59E-07 4.43E-06 03/12/97 Yes Yes 2022 172 1061 C 5 H 5 0 40.3 13.93 47.78 3.41E-02 0 2.36E-06 5.98E-07 4.37E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 5 40.35 19.41 57.82 5.64E-02 0 3.00E-06 1.08E-06 8.27E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 10 40.4 15.56 62.84 5.59E-02 0 2.61E-06 7.42E-07 8.62E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 15 40.45 20.25 58.63 5.72E-02 0 2.96E-06 1.12E-06 8.47E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 20 40.5 28.92 56.45 5.61E-02 0 2.88E-06 1.63E-06 8.11E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 25 40.55 31.13 64.8 4.85E-02 0 1.87E-06 1.16E-06 7.61E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 30 40.6 15.59 72.53 4.39E-02 0 1.35E-06 3.84E-07 7.26E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 35 40.65 14.96 66.92 4.60E-02 0 1.85E-06 5.05E-07 7.34E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 40 40.7 21.76 63.94 4.77E-02 0 2.06E-06 8.43E-07 7.43E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 45 40.75 19.61 64.47 4.62E-02 0 1.99E-06 7.25E-07 7.23E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 50 40.8 25.56 65.95 4.33E-02 0 1.69E-06 8.26E-07 6.86E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 55 40.85 16.32 69.94 4.08E-02 0 1.43E-06 4.27E-07 6.65E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 60 40.9 16 73.97 4.02E-02 0 1.13E-06 3.32E-07 6.70E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 65 40.95 20.18 73.52 3.89E-02 0 1.10E-06 4.13E-07 6.47E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 70 41 10.14 65.84 4.26E-02 0 1.82E-06 3.33E-07 6.73E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 75 41.05 14.57 66.79 4.49E-02 0 1.82E-06 4.83E-07 7.16E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 80 41.1 15.06 62.63 4.52E-02 0 2.13E-06 5.85E-07 6.96E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 85 41.15 18.39 56.09 5.02E-02 0 2.82E-06 9.58E-07 7.22E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 90 41.2 18.3 56.64 5.32E-02 0 2.95E-06 9.96E-07 7.71E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 95 41.25 18.99 58.97 5.21E-02 0 2.69E-06 9.47E-07 7.73E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 100 41.3 23.04 59.05 5.14E-02 0 2.58E-06 1.12E-06 7.64E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 105 41.35 23 65.93 4.65E-02 0 1.85E-06 8.04E-07 7.37E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 110 41.4 21.16 67.5 4.32E-02 0 1.63E-06 6.47E-07 6.92E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 115 41.45 23.23 64.09 4.51E-02 0 1.92E-06 8.43E-07 7.03E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 120 41.5 29.19 61.2 4.77E-02 0 2.13E-06 1.22E-06 7.25E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 125 41.55 30.12 60.37 5.13E-02 0 2.33E-06 1.38E-06 7.73E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 130 41.6 13.25 68.21 4.68E-02 0 1.79E-06 4.32E-07 7.53E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 135 41.65 3.53 61.73 4.81E-02 0 2.41E-06 1.52E-07 7.35E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 140 41.7 357.8 57.22 5.46E-02 0 3.13E-06 -1.23E-07 7.96E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 145 41.75 20.47 70.04 4.10E-02 0 1.39E-06 5.30E-07 6.67E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 5 150 41.8 133.99 77.52 1.84E-02 0 -2.93E-07 3.10E-07 3.11E-06 03/12/97 Yes Yes 2024 172 1061 C 5 H 6 0 41.8 6.93 56.47 2.42E-02 0 1.41E-06 1.75E-07 3.49E-06 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 5 41.85 7.35 60.86 4.19E-02 0 2.15E-06 2.84E-07 6.35E-06 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 10 41.9 9.02 61.77 4.94E-02 0 2.45E-06 3.97E-07 7.54E-06 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 15 41.95 15.67 66.35 4.77E-02 0 1.96E-06 5.61E-07 7.58E-06 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 20 42 9.57 64.51 4.50E-02 0 2.03E-06 3.49E-07 7.05E-06 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 25 42.05 11.74 63.66 4.87E-02 0 2.24E-06 4.77E-07 7.56E-06 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 30 42.1 14.54 65.23 5.24E-02 0 2.26E-06 5.98E-07 8.25E-06 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 35 42.15 358.94 63.95 5.52E-02 0 2.57E-06 -4.84E-08 8.59E-06 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 40 42.2 355.64 68.15 5.38E-02 0 2.12E-06 -1.65E-07 8.66E-06 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 45 42.25 10.87 73.13 4.66E-02 0 1.41E-06 2.77E-07 7.73E-06 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 50 42.3 7.04 71.96 4.32E-02 0 1.41E-06 1.78E-07 7.12E-06 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 55 42.35 9.22 58.5 4.84E-02 0 2.65E-06 4.39E-07 7.15E-06 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 60 42.4 358.33 41.51 9.11E-02 0 7.23E-06 -2.15E-07 1.05E-05 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 65 42.45 337.61 57.98 9.12E-02 0 4.74E-06 -2.00E-06 1.34E-05 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 70 42.5 357.94 65.64 9.62E-02 0 4.21E-06 -1.54E-07 1.52E-05 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 75 42.55 326.02 57.1 1.08E-01 0 5.14E-06 -3.54E-06 1.57E-05 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 80 42.6 93.61 78.42 9.81E-02 0 -1.31E-07 2.13E-06 1.67E-05 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 85 42.65 53.2 40.65 8.31E-02 0 4.01E-06 5.48E-06 9.39E-06 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 90 42.7 27.29 40.22 1.10E-01 0 7.90E-06 4.17E-06 1.23E-05 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 95 42.75 16.98 46.34 8.58E-02 0 6.01E-06 1.88E-06 1.08E-05 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 100 42.8 2.78 49.9 8.61E-02 0 5.88E-06 2.92E-07 1.14E-05 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 105 42.85 74.75 48.95 6.69E-02 0 1.23E-06 4.60E-06 8.75E-06 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 110 42.9 333.64 46.77 1.13E-01 0 7.35E-06 -3.72E-06 1.43E-05 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 115 42.95 303.04 56.26 7.19E-02 0 2.31E-06 -3.63E-06 1.04E-05 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 120 43 94.64 72.2 3.67E-02 0 -9.62E-08 1.21E-06 6.06E-06 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 125 43.05 143.14 80.81 2.79E-02 0 -3.78E-07 2.90E-07 4.78E-06 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 130 43.1 50.86 65.91 3.57E-02 0 9.74E-07 1.22E-06 5.64E-06 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 135 43.15 12.45 42.86 1.13E-01 0 8.58E-06 1.94E-06 1.33E-05 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 140 43.2 353.1 64.74 1.30E-01 0 5.82E-06 -7.20E-07 2.03E-05 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 145 43.25 349.83 68.02 5.95E-02 0 2.32E-06 -4.26E-07 9.56E-06 03/12/97 Yes Yes 2026 172 1061 C 5 H 6 150 43.3 312.03 60.64 3.14E-02 0 1.09E-06 -1.24E-06 4.75E-06 03/12/97 Yes Yes 2026 172 1061 C 5 H 7 0 43.3 355.06 48.3 2.99E-02 0 2.10E-06 -1.86E-07 3.87E-06 03/12/97 Yes Yes 2028 172 1061 C 5 H 7 5 43.35 33.37 79.06 3.08E-02 0 5.18E-07 3.49E-07 5.25E-06 03/12/97 Yes Yes 2028 172 1061 C 5 H 7 10 43.4 39.63 69.18 2.97E-02 0 8.61E-07 7.30E-07 4.81E-06 03/12/97 Yes Yes 2028 172 1061 C 5 H 7 15 43.45 22.6 66.2 3.62E-02 0 1.43E-06 6.09E-07 5.74E-06 03/12/97 Yes Yes 2028 172 1061 C 5 H 7 20 43.5 26.6 58.07 5.41E-02 0 2.71E-06 1.39E-06 7.96E-06 03/12/97 Yes Yes 2028 172 1061 C 5 H 7 25 43.55 340.47 76.55 4.02E-02 0 9.34E-07 -3.39E-07 6.77E-06 03/12/97 Yes Yes 2028 172 1061 C 5 H 7 30 43.6 306.15 77.84 2.91E-02 0 3.84E-07 -5.37E-07 4.93E-06 03/12/97 Yes Yes 2028 172 1061 C 5 H 7 35 43.65 345.71 76.11 3.27E-02 0 8.06E-07 -2.10E-07 5.50E-06 03/12/97 Yes Yes 2028 172 1061 C 5 H 7 40 43.7 35.92 42.44 7.64E-02 0 4.84E-06 3.59E-06 8.94E-06 03/12/97 Yes Yes 2028 172 1061 C 5 H 7 45 43.75 27.48 68.33 8.55E-02 0 2.97E-06 1.58E-06 1.38E-05 03/12/97 Yes Yes 2028 172 1061 C 5 H 7 50 43.8 202.76 66.68 4.17E-02 0 -1.61E-06 -6.93E-07 6.64E-06 03/12/97 Yes Yes 2028 172 1061 C 5 H 7 55 43.85 304.49 47.3 1.92E-02 0 7.84E-07 -1.17E-06 2.45E-06 03/12/97 Yes Yes 2028 172 1061 C 5 H 7 60 43.9 340.47 47.01 1.20E-02 0 8.20E-07 -2.97E-07 1.53E-06 03/12/97 Yes Yes 2028 172 1061 C 6 H 1 0 43.8 89.38 71.44 6.59E-03 0 2.40E-09 2.28E-07 1.08E-06 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 5 43.85 49.79 64.46 8.47E-03 0 2.50E-07 3.02E-07 1.32E-06 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 10 43.9 13.73 60.31 8.71E-03 0 4.44E-07 1.11E-07 1.31E-06 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 15 43.95 18.35 58.51 8.40E-03 0 4.41E-07 1.50E-07 1.24E-06 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 20 44 24.61 61.79 7.51E-03 0 3.42E-07 1.60E-07 1.15E-06 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 25 44.05 16.71 59.41 8.23E-03 0 4.26E-07 1.31E-07 1.23E-06 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 30 44.1 0.16 42.32 1.41E-02 0 1.11E-06 3.24E-09 1.65E-06 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 35 44.15 342.33 53.82 1.90E-02 0 1.13E-06 -3.69E-07 2.66E-06 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 40 44.2 53.63 67.14 1.54E-02 0 3.77E-07 5.24E-07 2.47E-06 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 45 44.25 44.9 77.55 1.20E-02 0 1.94E-07 1.98E-07 2.03E-06 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 50 44.3 234.66 54.88 1.02E-02 0 -3.60E-07 -5.20E-07 1.45E-06 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 55 44.35 342.17 57.19 1.78E-02 0 9.72E-07 -3.20E-07 2.59E-06 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 60 44.4 33.85 27.8 8.05E-02 0 6.27E-06 4.30E-06 6.51E-06 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 65 44.45 53.9 46.11 1.01E-01 0 4.36E-06 6.11E-06 1.26E-05 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 70 44.5 248.92 66.82 3.85E-02 0 -5.77E-07 -1.53E-06 6.13E-06 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 75 44.55 323.66 67.67 2.01E-02 0 6.53E-07 -4.91E-07 3.22E-06 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 80 44.6 338.05 61.58 2.08E-02 0 9.76E-07 -4.02E-07 3.18E-06 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 85 44.65 64.45 60.44 1.47E-02 0 3.32E-07 7.11E-07 2.22E-06 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 90 44.7 9.85 63.49 7.91E-03 0 3.69E-07 6.55E-08 1.23E-06 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 95 44.75 17.5 53.1 1.02E-02 0 6.21E-07 2.00E-07 1.42E-06 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 100 44.8 16.98 66.66 7.05E-03 0 2.83E-07 8.85E-08 1.12E-06 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 105 44.85 104.16 82.94 4.97E-03 0 -1.59E-08 6.42E-08 8.54E-07 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 110 44.9 3.57 28.85 1.54E-02 0 1.43E-06 9.10E-08 1.29E-06 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 115 44.95 349.99 55.61 1.99E-02 0 1.18E-06 -2.12E-07 2.85E-06 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 120 45 148.7 72.47 8.61E-03 0 -2.35E-07 1.46E-07 1.42E-06 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 125 45.05 18.47 53.83 6.78E-03 0 4.03E-07 1.38E-07 9.49E-07 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 130 45.1 23.55 44.7 1.16E-02 0 8.00E-07 3.56E-07 1.41E-06 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 135 45.15 19.35 50.9 1.33E-02 0 8.39E-07 3.01E-07 1.79E-06 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 140 45.2 11.28 56.05 7.97E-03 0 4.63E-07 9.44E-08 1.15E-06 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 145 45.25 23.26 47.21 6.12E-03 0 4.05E-07 1.78E-07 7.78E-07 03/12/97 Yes Yes 2030 172 1061 C 6 H 1 150 45.3 41.09 55.54 3.28E-03 0 1.48E-07 1.32E-07 4.69E-07 03/12/97 Yes Yes 2030 172 1061 C 6 H 2 0 45.3 18.18 37.75 4.62E-03 0 3.68E-07 1.24E-07 4.90E-07 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 5 45.35 16.21 58.55 4.06E-03 0 2.16E-07 6.42E-08 6.01E-07 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 10 45.4 37.41 39.25 5.95E-03 0 3.88E-07 3.04E-07 6.53E-07 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 15 45.45 53.72 23.89 1.18E-02 0 6.77E-07 9.44E-07 8.29E-07 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 20 45.5 53.92 21.58 1.29E-02 0 7.47E-07 1.05E-06 8.20E-07 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 25 45.55 263.77 6.01 7.37E-02 0 -8.43E-07 -7.90E-06 1.34E-06 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 30 45.6 254.77 41.41 4.44E-02 0 -9.28E-07 -3.49E-06 5.09E-06 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 35 45.65 128.09 21.62 2.78E-02 0 -1.69E-06 2.21E-06 1.78E-06 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 40 45.7 292.35 14.36 3.62E-02 0 1.42E-06 -3.52E-06 1.56E-06 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 45 45.75 346.05 11.82 2.09E-01 0 2.10E-05 -5.34E-06 7.40E-06 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 50 45.8 330.3 77.23 4.75E-02 0 9.68E-07 -5.64E-07 8.03E-06 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 55 45.85 350.1 39.8 4.97E-02 0 3.99E-06 -7.12E-07 5.51E-06 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 60 45.9 30.44 24.14 4.17E-01 0 3.48E-05 2.09E-05 2.96E-05 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 65 45.95 138.26 77.76 1.30E-01 0 -2.18E-06 1.99E-06 2.20E-05 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 70 46 204.2 44.75 4.38E-02 0 -3.01E-06 -1.38E-06 5.35E-06 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 75 46.05 339.15 49.98 5.42E-02 0 3.45E-06 -1.35E-06 7.19E-06 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 80 46.1 267.87 58.91 2.95E-02 0 -6.02E-08 -1.65E-06 4.39E-06 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 85 46.15 100.86 69.27 1.43E-02 0 -1.01E-07 5.37E-07 2.31E-06 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 90 46.2 2.49 70.49 1.45E-02 0 5.12E-07 2.27E-08 2.37E-06 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 95 46.25 8.17 30 3.71E-02 0 3.38E-06 4.96E-07 3.22E-06 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 100 46.3 46.98 35.93 7.09E-02 0 4.15E-06 4.55E-06 7.21E-06 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 105 46.35 59.84 43.75 5.91E-02 0 2.27E-06 4.00E-06 7.08E-06 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 110 46.4 319.75 52.2 3.72E-02 0 1.84E-06 -1.60E-06 5.09E-06 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 115 46.45 292.07 80.79 2.71E-02 0 1.73E-07 -4.35E-07 4.63E-06 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 120 46.5 53.09 63.71 2.58E-02 0 7.27E-07 9.89E-07 4.00E-06 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 125 46.55 55.18 33.87 9.88E-02 0 4.97E-06 7.30E-06 9.54E-06 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 130 46.6 329.06 77.17 5.50E-02 0 1.11E-06 -6.81E-07 9.30E-06 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 135 46.65 291.11 59.52 3.36E-02 0 6.51E-07 -1.73E-06 5.02E-06 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 140 46.7 24.01 27.98 1.11E-01 0 9.50E-06 4.33E-06 9.03E-06 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 145 46.75 331.06 41.62 6.80E-02 0 4.72E-06 -2.67E-06 7.83E-06 03/12/97 Yes Yes 2032 172 1061 C 6 H 2 150 46.8 316.85 44.33 3.99E-02 0 2.21E-06 -2.12E-06 4.83E-06 03/12/97 Yes Yes 2032 172 1061 C 6 H 3 0 46.8 54.19 53.8 5.20E-02 0 1.91E-06 2.70E-06 7.28E-06 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 5 46.85 70.66 26.64 3.38E-01 0 1.06E-05 3.09E-05 2.62E-05 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 10 46.9 39.86 60.47 2.34E-01 0 9.37E-06 8.00E-06 3.52E-05 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 15 46.95 55.48 38.71 2.01E-01 0 9.43E-06 1.40E-05 2.18E-05 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 20 47 24.49 57.06 1.32E-01 0 6.92E-06 3.22E-06 1.92E-05 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 25 47.05 337.4 45.77 1.51E-01 0 1.03E-05 -4.38E-06 1.87E-05 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 30 47.1 6.59 44.82 2.23E-01 0 1.67E-05 1.97E-06 2.73E-05 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 35 47.15 28.31 65.5 1.41E-01 0 5.44E-06 3.00E-06 2.22E-05 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 40 47.2 120.88 56.8 5.64E-02 0 -1.68E-06 2.87E-06 8.18E-06 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 45 47.25 92.69 85.18 2.47E-02 0 -1.03E-08 2.25E-07 4.27E-06 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 50 47.3 322.8 70.04 1.61E-02 0 4.64E-07 -3.60E-07 2.62E-06 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 55 47.35 13.19 68.76 1.38E-02 0 5.15E-07 1.24E-07 2.23E-06 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 60 47.4 11.82 65.54 1.23E-02 0 5.28E-07 1.13E-07 1.94E-06 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 65 47.45 354.99 64.03 1.23E-02 0 5.69E-07 -5.10E-08 1.92E-06 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 70 47.5 10.36 59.83 1.37E-02 0 7.17E-07 1.34E-07 2.05E-06 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 75 47.55 358.17 57.34 1.30E-02 0 7.44E-07 -2.43E-08 1.90E-06 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 80 47.6 359.21 59.3 1.30E-02 0 7.04E-07 -9.88E-09 1.94E-06 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 85 47.65 6.26 66.34 1.33E-02 0 5.62E-07 6.30E-08 2.11E-06 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 90 47.7 20.61 65.6 1.32E-02 0 5.43E-07 2.09E-07 2.09E-06 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 95 47.75 25.4 68.51 1.25E-02 0 4.40E-07 2.13E-07 2.02E-06 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 100 47.8 69.52 76.19 1.12E-02 0 9.89E-08 2.71E-07 1.88E-06 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 105 47.85 90.24 83.6 1.09E-02 0 -5.41E-10 1.32E-07 1.88E-06 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 110 47.9 12.11 25.84 4.17E-02 0 3.89E-06 8.54E-07 3.15E-06 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 115 47.95 9.91 44.21 5.46E-02 0 4.09E-06 7.30E-07 6.60E-06 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 120 48 189.67 56.32 2.28E-02 0 -1.32E-06 -2.31E-07 3.29E-06 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 125 48.05 349.12 49.95 2.73E-02 0 1.83E-06 -3.59E-07 3.62E-06 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 130 48.1 22.85 46.94 4.56E-02 0 3.05E-06 1.31E-06 5.78E-06 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 135 48.15 3.12 75.32 1.91E-02 0 5.13E-07 2.85E-08 3.20E-06 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 140 48.2 13.52 69.96 1.66E-02 0 5.86E-07 1.44E-07 2.70E-06 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 145 48.25 31.96 65.78 1.78E-02 0 6.57E-07 4.19E-07 2.81E-06 03/12/97 Yes Yes 2034 172 1061 C 6 H 3 150 48.3 107.22 84.32 7.88E-03 0 -2.45E-08 8.08E-08 1.36E-06 03/12/97 Yes Yes 2034 172 1061 C 6 H 4 0 48.3 31.13 64.19 2.97E-02 0 1.17E-06 7.25E-07 4.63E-06 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 5 48.35 40.91 78.01 3.43E-02 0 5.71E-07 5.06E-07 5.82E-06 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 10 48.4 295.07 55.94 4.46E-02 0 1.12E-06 -2.45E-06 6.40E-06 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 15 48.45 310.45 44.19 1.18E-01 0 5.83E-06 -7.00E-06 1.43E-05 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 20 48.5 51.38 49.49 7.90E-02 0 3.40E-06 4.35E-06 1.04E-05 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 25 48.55 104.94 66.7 2.66E-02 0 -2.87E-07 1.10E-06 4.23E-06 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 30 48.6 306.32 73.68 1.79E-02 0 3.16E-07 -4.40E-07 2.98E-06 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 35 48.65 299.36 58.03 2.76E-02 0 7.59E-07 -1.38E-06 4.05E-06 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 40 48.7 42.03 50.88 4.54E-02 0 2.26E-06 2.08E-06 6.10E-06 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 45 48.75 330.81 61.61 7.43E-02 0 3.27E-06 -1.87E-06 1.13E-05 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 50 48.8 30.53 61 1.06E-01 0 4.69E-06 2.83E-06 1.61E-05 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 55 48.85 42.44 58.98 1.18E-01 0 4.75E-06 4.44E-06 1.75E-05 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 60 48.9 167.9 59.07 5.87E-02 0 -3.13E-06 6.86E-07 8.74E-06 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 65 48.95 306.8 18.62 6.63E-02 0 3.99E-06 -5.46E-06 3.67E-06 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 70 49 321.74 18.28 2.09E-01 0 1.66E-05 -1.33E-05 1.14E-05 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 75 49.05 9.75 56.29 6.91E-02 0 4.01E-06 7.04E-07 9.96E-06 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 80 49.1 97.42 52.66 3.65E-02 0 -3.04E-07 2.38E-06 5.03E-06 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 85 49.15 74.1 50.51 2.04E-02 0 3.76E-07 1.35E-06 2.72E-06 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 90 49.2 251.6 26.6 2.84E-02 0 -8.49E-07 -2.61E-06 2.20E-06 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 95 49.25 250.46 51.5 3.12E-02 0 -6.90E-07 -1.99E-06 4.24E-06 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 100 49.3 41.59 59.31 2.17E-02 0 8.79E-07 7.97E-07 3.24E-06 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 105 49.35 19.17 56.55 1.97E-02 0 1.09E-06 3.87E-07 2.85E-06 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 110 49.4 20.17 61.78 1.82E-02 0 8.55E-07 3.21E-07 2.78E-06 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 115 49.45 17.87 62.63 1.69E-02 0 7.83E-07 2.58E-07 2.60E-06 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 120 49.5 13.37 63.82 1.49E-02 0 6.77E-07 1.65E-07 2.31E-06 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 125 49.55 12.68 62.36 1.38E-02 0 6.63E-07 1.53E-07 2.12E-06 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 130 49.6 14.07 64.61 1.21E-02 0 5.32E-07 1.36E-07 1.89E-06 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 135 49.65 15.4 67.34 1.10E-02 0 4.35E-07 1.22E-07 1.77E-06 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 140 49.7 11.44 66.69 1.01E-02 0 4.14E-07 8.57E-08 1.60E-06 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 145 49.75 15.13 63.54 9.07E-03 0 4.14E-07 1.14E-07 1.41E-06 03/12/97 Yes Yes 2036 172 1061 C 6 H 4 150 49.8 66.39 86.06 4.52E-03 0 1.32E-08 3.09E-08 7.81E-07 03/12/97 Yes Yes 2036 172 1061 C 6 H 5 0 49.8 359.43 51.7 5.14E-03 0 3.38E-07 -3.46E-09 6.99E-07 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 5 49.85 4.88 60.53 7.87E-03 0 4.09E-07 3.57E-08 1.19E-06 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 10 49.9 2.74 64.3 8.41E-03 0 3.86E-07 1.89E-08 1.31E-06 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 15 49.95 3.97 72.45 7.12E-03 0 2.27E-07 1.61E-08 1.18E-06 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 20 50 2.36 76.13 5.38E-03 0 1.37E-07 5.76E-09 9.05E-07 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 25 50.05 0.25 65.43 5.20E-03 0 2.30E-07 1.04E-09 8.20E-07 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 30 50.1 8.18 61.87 5.92E-03 0 2.93E-07 4.30E-08 9.04E-07 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 35 50.15 13.07 66.6 6.23E-03 0 2.55E-07 6.06E-08 9.91E-07 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 40 50.2 10.66 69.78 6.09E-03 0 2.19E-07 4.22E-08 9.90E-07 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 45 50.25 3.48 65.7 6.74E-03 0 2.94E-07 1.83E-08 1.07E-06 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 50 50.3 6.73 66.9 7.85E-03 0 3.24E-07 3.91E-08 1.25E-06 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 55 50.35 10.21 68.56 7.89E-03 0 3.01E-07 5.54E-08 1.27E-06 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 60 50.4 17.37 68.93 8.45E-03 0 3.07E-07 9.83E-08 1.37E-06 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 65 50.45 19.87 69.38 8.72E-03 0 3.06E-07 1.13E-07 1.42E-06 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 70 50.5 5.66 68.07 9.53E-03 0 3.76E-07 3.81E-08 1.53E-06 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 75 50.55 10.09 68.9 1.01E-02 0 3.80E-07 6.91E-08 1.63E-06 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 80 50.6 22.05 72.74 9.63E-03 0 2.81E-07 1.16E-07 1.59E-06 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 85 50.65 6.19 74.52 8.77E-03 0 2.47E-07 2.74E-08 1.47E-06 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 90 50.7 355.99 69.62 9.84E-03 0 3.63E-07 -2.60E-08 1.60E-06 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 95 50.75 354.05 73.3 1.19E-02 0 3.60E-07 -3.84E-08 1.97E-06 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 100 50.8 352.88 71.47 1.35E-02 0 4.52E-07 -5.77E-08 2.22E-06 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 105 50.85 348.38 72.99 1.48E-02 0 4.50E-07 -9.46E-08 2.45E-06 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 110 50.9 347.25 76.01 1.45E-02 0 3.63E-07 -8.40E-08 2.44E-06 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 115 50.95 354.74 76.72 1.31E-02 0 3.19E-07 -3.00E-08 2.22E-06 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 120 51 3.21 76.87 1.08E-02 0 2.61E-07 1.50E-08 1.83E-06 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 125 51.05 11.84 73.05 9.08E-03 0 2.75E-07 5.89E-08 1.51E-06 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 130 51.1 359.84 69.34 9.70E-03 0 3.63E-07 -1.02E-09 1.57E-06 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 135 51.15 351.1 73.26 1.10E-02 0 3.33E-07 -5.34E-08 1.83E-06 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 140 51.2 2.66 75.47 1.05E-02 0 2.78E-07 1.33E-08 1.76E-06 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 145 51.25 3.08 74.56 8.96E-03 0 2.53E-07 1.39E-08 1.50E-06 03/12/97 Yes Yes 2038 172 1061 C 6 H 5 150 51.3 119.47 80.31 4.32E-03 0 -3.79E-08 6.86E-08 7.38E-07 03/12/97 Yes Yes 2038 172 1061 C 6 H 6 0 51.3 358.47 56.21 5.26E-03 0 3.10E-07 -8.45E-09 7.58E-07 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 5 51.35 5.94 73.63 7.20E-03 0 2.14E-07 2.28E-08 1.20E-06 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 10 51.4 14.52 75.84 6.47E-03 0 1.63E-07 4.31E-08 1.09E-06 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 15 51.45 15.4 71.92 6.32E-03 0 2.01E-07 5.65E-08 1.04E-06 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 20 51.5 13.18 69.89 7.36E-03 0 2.61E-07 6.25E-08 1.20E-06 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 25 51.55 5.9 75.5 8.22E-03 0 2.17E-07 2.29E-08 1.38E-06 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 30 51.6 7.4 76.79 7.88E-03 0 1.89E-07 2.52E-08 1.33E-06 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 35 51.65 15.49 75.15 7.27E-03 0 1.91E-07 5.40E-08 1.22E-06 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 40 51.7 5.2 77.08 6.28E-03 0 1.48E-07 1.38E-08 1.06E-06 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 45 51.75 10.74 73.67 5.66E-03 0 1.66E-07 3.22E-08 9.41E-07 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 50 51.8 12.68 68.36 6.02E-03 0 2.30E-07 5.28E-08 9.70E-07 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 55 51.85 0.73 69.89 6.79E-03 0 2.48E-07 3.23E-09 1.11E-06 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 60 51.9 358.88 76.03 6.63E-03 0 1.70E-07 -3.40E-09 1.12E-06 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 65 51.95 4.95 75.77 6.40E-03 0 1.66E-07 1.47E-08 1.08E-06 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 70 52 11.45 70.59 6.89E-03 0 2.38E-07 4.93E-08 1.13E-06 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 75 52.05 2.36 67.45 9.20E-03 0 3.74E-07 1.58E-08 1.47E-06 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 80 52.1 5.39 73.11 1.08E-02 0 3.31E-07 3.19E-08 1.79E-06 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 85 52.15 356.78 73.64 1.09E-02 0 3.26E-07 -1.88E-08 1.82E-06 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 90 52.2 350.6 72.04 1.11E-02 0 3.57E-07 -6.05E-08 1.83E-06 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 95 52.25 6.71 74.03 1.09E-02 0 3.16E-07 3.81E-08 1.82E-06 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 100 52.3 16.5 75.96 9.76E-03 0 2.41E-07 7.29E-08 1.64E-06 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 105 52.35 14.22 75.18 8.63E-03 0 2.27E-07 5.88E-08 1.45E-06 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 110 52.4 15.32 76.74 7.89E-03 0 1.85E-07 5.19E-08 1.33E-06 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 115 52.45 14.47 79.46 6.78E-03 0 1.27E-07 3.36E-08 1.16E-06 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 120 52.5 4.62 80.15 5.79E-03 0 1.05E-07 8.65E-09 9.89E-07 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 125 52.55 11.96 72.97 5.91E-03 0 1.79E-07 3.89E-08 9.79E-07 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 130 52.6 13.58 71.77 7.18E-03 0 2.32E-07 5.72E-08 1.18E-06 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 135 52.65 8.05 73.04 7.88E-03 0 2.41E-07 3.49E-08 1.31E-06 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 140 52.7 9.35 72.45 8.16E-03 0 2.58E-07 4.34E-08 1.35E-06 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 145 52.75 17.28 74.53 6.89E-03 0 1.86E-07 5.92E-08 1.15E-06 03/12/97 Yes Yes 2040 172 1061 C 6 H 6 150 52.8 131.49 78.81 3.31E-03 0 -4.51E-08 5.22E-08 5.63E-07 03/12/97 Yes Yes 2040 172 1061 C 6 H 7 0 52.8 356.22 57.97 4.04E-03 0 2.27E-07 -1.53E-08 5.93E-07 03/12/97 Yes Yes 2042 172 1061 C 6 H 7 5 52.85 12.94 66.08 6.62E-03 0 2.78E-07 6.52E-08 1.05E-06 03/12/97 Yes Yes 2042 172 1061 C 6 H 7 10 52.9 22.59 72.91 6.67E-03 0 1.92E-07 8.17E-08 1.11E-06 03/12/97 Yes Yes 2042 172 1061 C 6 H 7 15 52.95 17.32 73.19 6.27E-03 0 1.84E-07 5.85E-08 1.04E-06 03/12/97 Yes Yes 2042 172 1061 C 6 H 7 20 53 18.27 71.69 5.92E-03 0 1.87E-07 6.32E-08 9.75E-07 03/12/97 Yes Yes 2042 172 1061 C 6 H 7 25 53.05 18.81 71.35 5.30E-03 0 1.70E-07 5.93E-08 8.71E-07 03/12/97 Yes Yes 2042 172 1061 C 6 H 7 30 53.1 22.03 68.04 5.18E-03 0 1.90E-07 7.88E-08 8.33E-07 03/12/97 Yes Yes 2042 172 1061 C 6 H 7 35 53.15 10.11 70.45 5.09E-03 0 1.78E-07 3.24E-08 8.32E-07 03/12/97 Yes Yes 2042 172 1061 C 6 H 7 40 53.2 2.46 75.77 5.11E-03 0 1.33E-07 5.84E-09 8.58E-07 03/12/97 Yes Yes 2042 172 1061 C 6 H 7 45 53.25 19.97 73.48 5.32E-03 0 1.51E-07 5.61E-08 8.85E-07 03/12/97 Yes Yes 2042 172 1061 C 6 H 7 50 53.3 1.73 64.5 6.86E-03 0 3.13E-07 9.69E-09 1.07E-06 03/12/97 Yes Yes 2042 172 1061 C 6 H 7 55 53.35 353.68 76.03 8.95E-03 0 2.28E-07 -2.58E-08 1.50E-06 03/12/97 Yes Yes 2042 172 1061 C 6 H 7 60 53.4 131.8 75.74 6.38E-03 0 -1.11E-07 1.27E-07 1.07E-06 03/12/97 Yes Yes 2042 172 1061 C 6 H 7 65 53.45 2.6 60.24 3.97E-03 0 2.09E-07 9.69E-09 5.98E-07 03/12/97 Yes Yes 2042 172 1061 C 6 H 7 70 53.5 356.95 64.33 2.75E-03 0 1.26E-07 -6.87E-09 4.29E-07 03/12/97 Yes Yes 2042 172 1061 C 7 H 1 0 53.3 346.18 45.32 3.02E-03 0 2.19E-07 -5.51E-08 3.73E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 5 53.35 53.91 38.55 7.32E-03 0 3.58E-07 5.02E-07 7.91E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 10 53.4 82 62.82 4.13E-03 0 2.78E-08 2.03E-07 6.37E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 15 53.45 335.97 81.17 3.59E-03 0 5.33E-08 -2.43E-08 6.14E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 20 53.5 23.29 83.09 3.32E-03 0 3.90E-08 1.72E-08 5.72E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 25 53.55 39.59 77.99 3.14E-03 0 5.34E-08 4.52E-08 5.33E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 30 53.6 358.46 76.49 3.35E-03 0 8.31E-08 -2.29E-09 5.65E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 35 53.65 31.62 78.28 3.58E-03 0 6.57E-08 4.13E-08 6.07E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 40 53.7 26 81.05 3.70E-03 0 5.49E-08 2.74E-08 6.34E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 45 53.75 27.69 80.49 3.76E-03 0 5.84E-08 3.13E-08 6.43E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 50 53.8 19.05 77.76 4.10E-03 0 8.72E-08 3.08E-08 6.95E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 55 53.85 20.99 78.1 4.46E-03 0 9.11E-08 3.57E-08 7.57E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 60 53.9 25.76 78.34 4.57E-03 0 8.82E-08 4.35E-08 7.76E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 65 53.95 14.5 74.94 4.91E-03 0 1.31E-07 3.47E-08 8.22E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 70 54 13.13 77.26 5.21E-03 0 1.19E-07 2.83E-08 8.81E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 75 54.05 35.76 79.69 4.83E-03 0 7.45E-08 5.48E-08 8.24E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 80 54.1 21.9 75.9 4.63E-03 0 1.11E-07 4.56E-08 7.78E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 85 54.15 16 75.21 4.93E-03 0 1.28E-07 3.76E-08 8.26E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 90 54.2 21.9 75.1 5.06E-03 0 1.28E-07 5.27E-08 8.48E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 95 54.25 15.17 75 5.46E-03 0 1.45E-07 4.01E-08 9.14E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 100 54.3 11.92 75.88 5.66E-03 0 1.43E-07 3.09E-08 9.52E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 105 54.35 9.8 76.28 5.66E-03 0 1.40E-07 2.48E-08 9.54E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 110 54.4 24.6 79.07 5.44E-03 0 9.96E-08 4.66E-08 9.26E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 115 54.45 28.69 78.79 5.04E-03 0 9.12E-08 5.11E-08 8.58E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 120 54.5 10.75 77.01 4.99E-03 0 1.17E-07 2.27E-08 8.42E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 125 54.55 4.23 79.19 5.00E-03 0 9.91E-08 7.51E-09 8.51E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 130 54.6 5.02 77.66 5.00E-03 0 1.13E-07 1.02E-08 8.48E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 135 54.65 2.55 76.24 5.14E-03 0 1.29E-07 5.90E-09 8.65E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 140 54.7 19.77 76.71 5.01E-03 0 1.15E-07 4.22E-08 8.45E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 145 54.75 24.84 77.1 4.62E-03 0 9.94E-08 4.70E-08 7.81E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 1 150 54.8 156.57 77.48 2.28E-03 0 -4.81E-08 2.13E-08 3.86E-07 03/12/97 Yes Yes 2044 172 1061 C 7 H 2 0 54.8 3.83 58.07 3.45E-03 0 1.93E-07 1.32E-08 5.07E-07 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 5 54.85 15.5 70.03 5.81E-03 0 2.03E-07 5.76E-08 9.47E-07 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 10 54.9 19.77 78.16 6.05E-03 0 1.24E-07 4.56E-08 1.03E-06 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 15 54.95 11.92 77.65 5.67E-03 0 1.26E-07 2.72E-08 9.61E-07 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 20 55 21.69 75.7 5.62E-03 0 1.37E-07 5.57E-08 9.44E-07 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 25 55.05 27.3 76.84 5.48E-03 0 1.18E-07 6.21E-08 9.25E-07 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 30 55.1 17.94 74.52 5.58E-03 0 1.50E-07 4.97E-08 9.32E-07 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 35 55.15 8.2 73.1 6.18E-03 0 1.89E-07 2.78E-08 1.03E-06 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 40 55.2 1.38 75.69 6.16E-03 0 1.62E-07 3.99E-09 1.04E-06 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 45 55.25 15.53 73.81 5.95E-03 0 1.70E-07 4.82E-08 9.91E-07 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 50 55.3 19.83 74.94 5.66E-03 0 1.47E-07 5.41E-08 9.47E-07 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 55 55.35 14.11 73.91 5.66E-03 0 1.61E-07 4.15E-08 9.43E-07 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 60 55.4 14.08 73.38 6.16E-03 0 1.81E-07 4.65E-08 1.02E-06 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 65 55.45 12.62 75.88 6.41E-03 0 1.62E-07 3.70E-08 1.08E-06 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 70 55.5 15.28 73.87 6.78E-03 0 1.93E-07 5.38E-08 1.13E-06 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 75 55.55 18.74 76.56 6.72E-03 0 1.57E-07 5.45E-08 1.13E-06 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 80 55.6 9.88 79.1 6.16E-03 0 1.22E-07 2.17E-08 1.05E-06 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 85 55.65 7.34 76.55 5.98E-03 0 1.46E-07 1.93E-08 1.01E-06 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 90 55.7 350.75 76.63 5.87E-03 0 1.42E-07 -2.37E-08 9.91E-07 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 95 55.75 3.97 78.16 5.32E-03 0 1.16E-07 8.21E-09 9.03E-07 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 100 55.8 10.03 76.23 5.15E-03 0 1.28E-07 2.32E-08 8.68E-07 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 105 55.85 25.34 76.88 5.33E-03 0 1.16E-07 5.61E-08 8.99E-07 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 110 55.9 69.18 73.53 5.56E-03 0 5.95E-08 1.60E-07 9.25E-07 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 115 55.95 92.16 59.76 7.07E-03 0 -1.42E-08 3.86E-07 1.06E-06 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 120 56 291.08 44.4 1.41E-02 0 3.84E-07 -1.02E-06 1.71E-06 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 125 56.05 293.91 39.74 4.69E-02 0 1.55E-06 -3.58E-06 5.20E-06 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 130 56.1 98 53.31 2.71E-02 0 -2.39E-07 1.74E-06 3.77E-06 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 135 56.15 85.99 70.61 9.67E-03 0 2.38E-08 3.47E-07 1.58E-06 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 140 56.2 336.11 74.02 6.96E-03 0 1.86E-07 -8.42E-08 1.16E-06 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 145 56.25 332.9 75.17 5.96E-03 0 1.44E-07 -7.53E-08 9.98E-07 03/12/97 Yes Yes 2046 172 1061 C 7 H 2 150 56.3 182.43 79.69 2.78E-03 0 -5.27E-08 -2.29E-09 4.74E-07 03/12/97 Yes Yes 2046 172 1061 C 7 H 3 0 56.3 1.14 58.69 2.82E-03 0 1.56E-07 3.15E-09 4.18E-07 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 5 56.35 12.72 75.6 3.82E-03 0 9.84E-08 2.27E-08 6.42E-07 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 10 56.4 356.07 78.07 3.83E-03 0 8.37E-08 -5.88E-09 6.49E-07 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 15 56.45 352.35 76.89 4.17E-03 0 9.94E-08 -1.36E-08 7.04E-07 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 20 56.5 355.93 76.42 4.91E-03 0 1.22E-07 -8.88E-09 8.27E-07 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 25 56.55 4.69 77.75 5.31E-03 0 1.19E-07 9.98E-09 8.99E-07 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 30 56.6 11.37 79.33 5.47E-03 0 1.05E-07 2.16E-08 9.31E-07 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 35 56.65 359.49 80.6 5.08E-03 0 8.80E-08 -7.96E-10 8.69E-07 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 40 56.7 14.25 79.64 5.00E-03 0 9.25E-08 2.40E-08 8.53E-07 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 45 56.75 21.9 80.65 4.87E-03 0 7.79E-08 3.20E-08 8.33E-07 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 50 56.8 22.35 79.44 4.79E-03 0 8.61E-08 3.62E-08 8.16E-07 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 55 56.85 13.92 79.96 4.57E-03 0 8.19E-08 2.08E-08 7.80E-07 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 60 56.9 15.05 80.22 4.38E-03 0 7.62E-08 2.10E-08 7.48E-07 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 65 56.95 29.8 79.79 4.30E-03 0 7.01E-08 4.11E-08 7.33E-07 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 70 57 36.97 80.06 4.26E-03 0 6.24E-08 4.80E-08 7.28E-07 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 75 57.05 42.68 79.29 4.21E-03 0 6.10E-08 5.75E-08 7.17E-07 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 80 57.1 39.63 79.11 4.18E-03 0 6.45E-08 5.47E-08 7.11E-07 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 85 57.15 28.77 81.1 4.19E-03 0 6.03E-08 3.39E-08 7.18E-07 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 90 57.2 35.99 82.57 4.28E-03 0 4.74E-08 3.52E-08 7.35E-07 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 95 57.25 22.97 77.8 4.98E-03 0 1.03E-07 4.45E-08 8.44E-07 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 100 57.3 13.37 78.02 6.19E-03 0 1.33E-07 3.22E-08 1.05E-06 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 105 57.35 23.39 83.79 6.25E-03 0 6.59E-08 2.91E-08 1.08E-06 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 110 57.4 52.3 82.62 5.52E-03 0 4.60E-08 6.08E-08 9.49E-07 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 115 57.45 10.08 79.71 4.81E-03 0 8.96E-08 1.63E-08 8.20E-07 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 120 57.5 4.23 83.37 4.90E-03 0 5.98E-08 4.53E-09 8.43E-07 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 125 57.55 43.79 84.91 4.29E-03 0 2.92E-08 2.86E-08 7.41E-07 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 130 57.6 21.61 82.55 4.11E-03 0 5.26E-08 2.13E-08 7.07E-07 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 135 57.65 30.61 82.54 3.95E-03 0 4.68E-08 2.83E-08 6.79E-07 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 140 57.7 37.47 79.75 3.74E-03 0 5.61E-08 4.39E-08 6.38E-07 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 145 57.75 58.86 85.3 3.22E-03 0 1.45E-08 2.45E-08 5.57E-07 03/12/97 Yes Yes 2048 172 1061 C 7 H 3 150 57.8 160 69.42 1.59E-03 0 -5.56E-08 2.07E-08 2.57E-07 03/12/97 Yes Yes 2048 172 1061 C 7 H 4 0 57.8 12.76 67.86 1.78E-03 0 6.94E-08 1.61E-08 2.86E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 5 57.85 32.72 80.69 3.14E-03 0 4.54E-08 2.98E-08 5.37E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 10 57.9 64.68 82.48 3.33E-03 0 1.98E-08 4.28E-08 5.73E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 15 57.95 55.47 82.69 3.00E-03 0 2.30E-08 3.41E-08 5.16E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 20 58 359.28 81.61 2.76E-03 0 4.27E-08 -5.51E-10 4.74E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 25 58.05 293.19 84.62 2.51E-03 0 9.83E-09 -2.35E-08 4.33E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 30 58.1 350.15 85.07 2.43E-03 0 2.19E-08 -3.88E-09 4.20E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 35 58.15 27.74 82.01 2.48E-03 0 3.24E-08 1.74E-08 4.26E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 40 58.2 22.04 82.79 2.51E-03 0 3.09E-08 1.28E-08 4.31E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 45 58.25 27.92 80.63 2.49E-03 0 3.80E-08 2.06E-08 4.26E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 50 58.3 23.93 80.94 2.69E-03 0 4.10E-08 1.86E-08 4.60E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 55 58.35 24.55 80.23 2.76E-03 0 4.52E-08 2.11E-08 4.72E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 60 58.4 12.65 82.18 2.92E-03 0 4.12E-08 9.45E-09 5.02E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 65 58.45 25.95 83.06 2.88E-03 0 3.32E-08 1.65E-08 4.96E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 70 58.5 29.73 81.58 2.89E-03 0 3.90E-08 2.28E-08 4.96E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 75 58.55 31.9 80.76 2.96E-03 0 4.28E-08 2.73E-08 5.07E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 80 58.6 23.68 82.37 3.01E-03 0 3.88E-08 1.74E-08 5.17E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 85 58.65 35.13 82.38 3.06E-03 0 3.52E-08 2.53E-08 5.26E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 90 58.7 50.62 83.24 3.06E-03 0 2.43E-08 3.02E-08 5.27E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 95 58.75 27.27 82.2 3.23E-03 0 4.13E-08 2.18E-08 5.54E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 100 58.8 358.77 83.35 3.38E-03 0 4.15E-08 -9.11E-10 5.82E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 105 58.85 28.69 83.29 3.51E-03 0 3.81E-08 2.13E-08 6.04E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 110 58.9 37.69 81.09 3.73E-03 0 4.86E-08 3.84E-08 6.40E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 115 58.95 30.79 83.12 4.00E-03 0 4.37E-08 2.66E-08 6.88E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 120 59 43.93 85.83 4.01E-03 0 2.22E-08 2.19E-08 6.93E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 125 59.05 27.27 82.1 4.05E-03 0 5.25E-08 2.77E-08 6.95E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 130 59.1 50.66 80.96 4.45E-03 0 4.70E-08 5.87E-08 7.62E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 135 59.15 43.25 78.78 4.66E-03 0 7.00E-08 6.73E-08 7.92E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 140 59.2 22.67 78.34 4.89E-03 0 9.67E-08 4.13E-08 8.30E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 145 59.25 46.94 81.68 4.21E-03 0 4.41E-08 4.83E-08 7.22E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 4 150 59.3 156.53 75.31 2.10E-03 0 -5.17E-08 2.30E-08 3.52E-07 03/12/97 Yes Yes 2050 172 1061 C 7 H 5 0 59.3 27.41 61.21 2.04E-03 0 9.26E-08 4.91E-08 3.10E-07 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 5 59.35 36.58 82.1 2.81E-03 0 3.28E-08 2.49E-08 4.82E-07 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 10 59.4 60.67 87.95 2.63E-03 0 4.88E-09 8.89E-09 4.56E-07 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 15 59.45 120.58 84.96 2.61E-03 0 -1.23E-08 2.14E-08 4.50E-07 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 20 59.5 336.63 74.72 3.96E-03 0 1.02E-07 -4.49E-08 6.63E-07 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 25 59.55 343.28 67.98 8.87E-03 0 3.38E-07 -1.04E-07 1.43E-06 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 30 59.6 348.7 81.25 1.15E-02 0 1.81E-07 -3.71E-08 1.96E-06 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 35 59.65 0.39 81.04 1.01E-02 0 1.67E-07 1.15E-09 1.73E-06 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 40 59.7 17.45 79.71 8.36E-03 0 1.51E-07 4.86E-08 1.43E-06 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 45 59.75 109.11 85.69 5.36E-03 0 -1.40E-08 4.13E-08 9.27E-07 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 50 59.8 82.06 83.08 3.38E-03 0 5.97E-09 4.38E-08 5.82E-07 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 55 59.85 349.34 78.88 3.03E-03 0 6.10E-08 -1.17E-08 5.16E-07 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 60 59.9 2.05 76.71 3.18E-03 0 7.76E-08 2.84E-09 5.37E-07 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 65 59.95 39.19 83.03 2.96E-03 0 2.95E-08 2.46E-08 5.10E-07 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 70 60 49.59 84.57 2.50E-03 0 1.62E-08 1.95E-08 4.31E-07 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 75 60.05 1.34 80.57 2.41E-03 0 4.18E-08 1.00E-09 4.12E-07 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 80 60.1 5.48 81.75 2.52E-03 0 3.82E-08 3.75E-09 4.32E-07 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 85 60.15 3.67 84.65 2.51E-03 0 2.48E-08 1.63E-09 4.34E-07 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 90 60.2 18.46 82.37 2.53E-03 0 3.38E-08 1.15E-08 4.35E-07 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 95 60.25 4.35 80.66 2.86E-03 0 4.91E-08 3.81E-09 4.89E-07 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 100 60.3 18.04 81.91 3.00E-03 0 4.26E-08 1.42E-08 5.15E-07 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 105 60.35 23.28 82.81 3.05E-03 0 3.73E-08 1.64E-08 5.25E-07 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 110 60.4 32.68 82.94 2.96E-03 0 3.25E-08 2.13E-08 5.09E-07 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 115 60.45 37.69 81.19 2.81E-03 0 3.61E-08 2.85E-08 4.81E-07 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 120 60.5 61.16 84.2 2.60E-03 0 1.35E-08 2.50E-08 4.49E-07 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 125 60.55 49.48 81.33 2.52E-03 0 2.62E-08 3.13E-08 4.32E-07 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 130 60.6 17.19 77.3 2.85E-03 0 6.34E-08 2.00E-08 4.81E-07 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 135 60.65 20.96 77.85 3.19E-03 0 6.65E-08 2.60E-08 5.41E-07 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 140 60.7 23.68 78.55 3.23E-03 0 6.22E-08 2.79E-08 5.48E-07 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 145 60.75 46.92 81.59 2.89E-03 0 3.06E-08 3.35E-08 4.95E-07 03/12/97 Yes Yes 2052 172 1061 C 7 H 5 150 60.8 155.57 75.12 1.41E-03 0 -3.49E-08 1.62E-08 2.36E-07 03/12/97 Yes Yes 2052 172 1061 C 7 H 6 0 60.8 6.79 64.94 1.71E-03 0 7.64E-08 9.30E-09 2.69E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 5 60.85 28.98 78.93 2.81E-03 0 5.01E-08 2.84E-08 4.79E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 10 60.9 20.53 83.03 3.17E-03 0 3.82E-08 1.46E-08 5.45E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 15 60.95 358.14 81.53 3.44E-03 0 5.38E-08 -1.79E-09 5.91E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 20 61 7.96 81.77 3.54E-03 0 5.33E-08 7.63E-09 6.08E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 25 61.05 1.22 80.21 3.67E-03 0 6.61E-08 1.44E-09 6.27E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 30 61.1 0.83 80.99 4.06E-03 0 6.75E-08 1.00E-09 6.96E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 35 61.15 10.52 83.23 3.98E-03 0 4.89E-08 9.28E-09 6.85E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 40 61.2 20.5 81.05 3.87E-03 0 5.98E-08 2.29E-08 6.63E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 45 61.25 21.89 81.05 3.76E-03 0 5.76E-08 2.37E-08 6.44E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 50 61.3 25.07 79.62 3.62E-03 0 6.26E-08 3.00E-08 6.17E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 55 61.35 21.45 80.87 3.54E-03 0 5.55E-08 2.23E-08 6.06E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 60 61.4 51.77 83.24 3.41E-03 0 2.64E-08 3.42E-08 5.87E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 65 61.45 70.95 84.02 3.02E-03 0 1.09E-08 3.23E-08 5.21E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 70 61.5 15.68 78.29 3.25E-03 0 6.74E-08 1.94E-08 5.52E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 75 61.55 14.17 80.53 4.02E-03 0 6.80E-08 1.75E-08 6.87E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 80 61.6 16.78 81.74 4.36E-03 0 6.36E-08 1.96E-08 7.49E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 85 61.65 17.86 80.83 4.45E-03 0 7.16E-08 2.36E-08 7.62E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 90 61.7 23.13 80.04 4.57E-03 0 7.71E-08 3.37E-08 7.80E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 95 61.75 25.7 81.94 4.37E-03 0 5.86E-08 2.88E-08 7.50E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 100 61.8 32.13 79.03 4.47E-03 0 7.64E-08 4.91E-08 7.61E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 105 61.85 65.59 80.62 4.30E-03 0 3.08E-08 6.93E-08 7.36E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 110 61.9 49.44 81.31 3.95E-03 0 4.12E-08 4.92E-08 6.78E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 115 61.95 53.93 81.64 3.89E-03 0 3.53E-08 4.96E-08 6.68E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 120 62 43.43 83.45 3.74E-03 0 3.29E-08 3.18E-08 6.45E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 125 62.05 36.2 83.24 3.86E-03 0 3.88E-08 2.91E-08 6.64E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 130 62.1 67.65 80.73 3.79E-03 0 2.46E-08 6.12E-08 6.48E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 135 62.15 54.95 82.49 3.60E-03 0 2.87E-08 4.18E-08 6.19E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 140 62.2 46.46 81.07 3.37E-03 0 3.82E-08 4.11E-08 5.77E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 145 62.25 77.71 80.97 3.15E-03 0 1.12E-08 5.24E-08 5.39E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 6 150 62.3 149.5 67.61 1.60E-03 0 -5.55E-08 3.35E-08 2.56E-07 03/12/97 Yes Yes 2054 172 1061 C 7 H 7 0 62.3 40.01 64.1 1.61E-03 0 5.71E-08 4.90E-08 2.51E-07 03/12/97 Yes Yes 2056 172 1061 C 7 H 7 5 62.35 53.34 76.96 3.16E-03 0 4.51E-08 6.20E-08 5.33E-07 03/12/97 Yes Yes 2056 172 1061 C 7 H 7 10 62.4 279.08 56.01 5.77E-03 0 5.40E-08 -3.45E-07 8.29E-07 03/12/97 Yes Yes 2056 172 1061 C 7 H 7 15 62.45 217.06 61.6 8.00E-03 0 -3.22E-07 -2.49E-07 1.22E-06 03/12/97 Yes Yes 2056 172 1061 C 7 H 7 20 62.5 126.3 75.61 5.62E-03 0 -8.77E-08 1.22E-07 9.43E-07 03/12/97 Yes Yes 2056 172 1061 C 7 H 7 25 62.55 91.13 78.34 4.11E-03 0 -1.73E-09 9.00E-08 6.97E-07 03/12/97 Yes Yes 2056 172 1061 C 7 H 7 30 62.6 79.1 83.25 3.00E-03 0 7.07E-09 3.76E-08 5.16E-07 03/12/97 Yes Yes 2056 172 1061 C 7 H 7 35 62.65 50.8 84.3 2.66E-03 0 1.77E-08 2.22E-08 4.58E-07 03/12/97 Yes Yes 2056 172 1061 C 7 H 7 40 62.7 63.42 80.1 2.80E-03 0 2.28E-08 4.67E-08 4.78E-07 03/12/97 Yes Yes 2056 172 1061 C 7 H 7 45 62.75 64.61 82.47 3.15E-03 0 1.88E-08 4.05E-08 5.42E-07 03/12/97 Yes Yes 2056 172 1061 C 7 H 7 50 62.8 2.55 71.03 4.31E-03 0 1.49E-07 6.76E-09 7.07E-07 03/12/97 Yes Yes 2056 172 1061 C 7 H 7 55 62.85 153.32 83.2 6.01E-03 0 -6.75E-08 3.47E-08 1.04E-06 03/12/97 Yes Yes 2056 172 1061 C 7 H 7 60 62.9 150.43 68.66 4.23E-03 0 -1.42E-07 8.24E-08 6.83E-07 03/12/97 Yes Yes 2056 172 1061 C 7 H 7 65 62.95 13.71 70.7 3.12E-03 0 1.06E-07 2.65E-08 5.10E-07 03/12/97 Yes Yes 2056 172 1061 C 7 H 7 70 63 33.08 70.22 3.66E-03 0 1.10E-07 7.32E-08 5.96E-07 03/12/97 Yes Yes 2056 172 1061 C 8 H 1 0 62.8 351.24 57.44 1.73E-03 0 9.78E-08 -1.54E-08 2.53E-07 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 5 62.85 341.7 70.38 3.65E-03 0 1.23E-07 -4.17E-08 5.96E-07 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 10 62.9 342.16 74.04 4.81E-03 0 1.33E-07 -4.39E-08 8.01E-07 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 15 62.95 344.52 69.31 6.76E-03 0 2.44E-07 -6.91E-08 1.10E-06 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 20 63 342.72 71.98 8.86E-03 0 2.78E-07 -8.83E-08 1.46E-06 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 25 63.05 337.93 69.79 1.05E-02 0 3.57E-07 -1.48E-07 1.71E-06 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 30 63.1 342.72 69.85 1.23E-02 0 4.29E-07 -1.36E-07 2.00E-06 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 35 63.15 350.25 71.12 1.33E-02 0 4.50E-07 -7.90E-08 2.18E-06 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 40 63.2 342.69 65.25 1.65E-02 0 7.01E-07 -2.23E-07 2.60E-06 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 45 63.25 323.71 64.47 1.93E-02 0 7.10E-07 -5.33E-07 3.01E-06 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 50 63.3 327.6 61.7 2.09E-02 0 8.89E-07 -5.77E-07 3.20E-06 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 55 63.35 6.54 70.95 1.79E-02 0 6.15E-07 7.20E-08 2.93E-06 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 60 63.4 313.71 80.15 1.10E-02 0 1.38E-07 -1.48E-07 1.88E-06 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 65 63.45 292.28 65.3 1.29E-02 0 2.16E-07 -5.40E-07 2.03E-06 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 70 63.5 49.2 85 1.09E-02 0 6.57E-08 7.79E-08 1.88E-06 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 75 63.55 352.28 79.03 6.73E-03 0 1.34E-07 -1.86E-08 1.14E-06 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 80 63.6 350.36 70.94 5.45E-03 0 1.86E-07 -3.23E-08 8.93E-07 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 85 63.65 340.8 74.39 4.54E-03 0 1.22E-07 -4.36E-08 7.59E-07 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 90 63.7 342.51 70.84 4.05E-03 0 1.34E-07 -4.33E-08 6.63E-07 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 95 63.75 341.18 72.03 3.79E-03 0 1.17E-07 -4.09E-08 6.25E-07 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 100 63.8 335.85 72.54 3.52E-03 0 1.02E-07 -4.69E-08 5.83E-07 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 105 63.85 338.66 71.97 3.16E-03 0 9.67E-08 -3.86E-08 5.21E-07 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 110 63.9 336.37 69.78 3.28E-03 0 1.10E-07 -4.93E-08 5.34E-07 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 115 63.95 333.53 70.81 3.52E-03 0 1.10E-07 -5.60E-08 5.77E-07 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 120 64 334.17 72.18 3.81E-03 0 1.11E-07 -5.51E-08 6.28E-07 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 125 64.05 337.31 75.43 4.40E-03 0 1.08E-07 -4.63E-08 7.39E-07 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 130 64.1 329.77 81.57 5.38E-03 0 7.23E-08 -4.31E-08 9.23E-07 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 135 64.15 343.36 58.64 9.96E-03 0 5.27E-07 -1.61E-07 1.47E-06 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 140 64.2 327.48 57.94 1.74E-02 0 8.28E-07 -5.40E-07 2.56E-06 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 145 64.25 311.82 71.47 1.22E-02 0 2.74E-07 -3.13E-07 2.01E-06 03/12/97 Yes Yes 2058 172 1061 C 8 H 1 150 64.3 146.38 82.27 5.04E-03 0 -5.98E-08 4.07E-08 8.65E-07 03/12/97 Yes Yes 2058 172 1061 C 8 H 2 0 64.3 345.94 53.73 2.46E-03 0 1.50E-07 -3.84E-08 3.44E-07 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 5 64.35 324.97 53.51 7.02E-03 0 3.62E-07 -2.60E-07 9.78E-07 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 10 64.4 313.3 65.94 6.96E-03 0 2.06E-07 -2.24E-07 1.10E-06 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 15 64.45 331.21 75.74 4.72E-03 0 1.08E-07 -6.08E-08 7.93E-07 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 20 64.5 334.28 71.75 4.41E-03 0 1.32E-07 -6.51E-08 7.27E-07 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 25 64.55 321.47 77.39 3.59E-03 0 6.51E-08 -5.30E-08 6.08E-07 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 30 64.6 329.54 70.22 3.59E-03 0 1.11E-07 -6.68E-08 5.86E-07 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 35 64.65 349.21 71.02 4.63E-03 0 1.57E-07 -3.06E-08 7.59E-07 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 40 64.7 22.46 75.71 5.69E-03 0 1.38E-07 5.82E-08 9.56E-07 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 45 64.75 324.85 58.52 6.29E-03 0 2.85E-07 -2.05E-07 9.30E-07 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 50 64.8 324.41 69.87 5.79E-03 0 1.72E-07 -1.26E-07 9.42E-07 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 55 64.85 345.97 71.09 5.97E-03 0 1.99E-07 -5.09E-08 9.79E-07 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 60 64.9 335.56 68.27 7.77E-03 0 2.78E-07 -1.29E-07 1.25E-06 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 65 64.95 346.19 79.42 8.16E-03 0 1.54E-07 -3.88E-08 1.39E-06 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 70 65 339.77 81.88 9.23E-03 0 1.30E-07 -4.89E-08 1.58E-06 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 75 65.05 345.99 63.7 1.49E-02 0 6.80E-07 -1.73E-07 2.32E-06 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 80 65.1 340.26 60 2.40E-02 0 1.20E-06 -4.39E-07 3.60E-06 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 85 65.15 318.73 72.99 2.07E-02 0 4.83E-07 -4.33E-07 3.43E-06 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 90 65.2 355.43 76.51 1.69E-02 0 4.17E-07 -3.41E-08 2.85E-06 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 95 65.25 353.69 68.97 1.72E-02 0 6.50E-07 -7.34E-08 2.78E-06 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 100 65.3 347.23 71.31 1.59E-02 0 5.28E-07 -1.22E-07 2.62E-06 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 105 65.35 342.45 72.78 1.23E-02 0 3.68E-07 -1.19E-07 2.03E-06 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 110 65.4 347.57 71.25 9.65E-03 0 3.21E-07 -7.24E-08 1.58E-06 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 115 65.45 347.8 69.37 9.17E-03 0 3.35E-07 -7.41E-08 1.49E-06 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 120 65.5 354.37 74.12 9.63E-03 0 2.78E-07 -2.80E-08 1.61E-06 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 125 65.55 349.34 77.86 8.22E-03 0 1.80E-07 -3.47E-08 1.39E-06 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 130 65.6 351.02 72.69 8.63E-03 0 2.69E-07 -4.35E-08 1.43E-06 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 135 65.65 347.1 69.56 9.15E-03 0 3.30E-07 -7.73E-08 1.49E-06 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 140 65.7 339.02 62.34 1.00E-02 0 4.60E-07 -1.80E-07 1.54E-06 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 145 65.75 328.12 71.62 8.44E-03 0 2.40E-07 -1.52E-07 1.39E-06 03/12/97 Yes Yes 2060 172 1061 C 8 H 2 150 65.8 166.77 80.94 4.04E-03 0 -6.57E-08 1.58E-08 6.92E-07 03/12/97 Yes Yes 2060 172 1061 C 8 H 3 0 65.8 347.76 51.1 4.76E-03 0 3.10E-07 -6.88E-08 6.42E-07 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 5 65.85 332.84 63.66 8.07E-03 0 3.38E-07 -1.77E-07 1.25E-06 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 10 65.9 345.09 71.77 6.98E-03 0 2.24E-07 -6.10E-08 1.15E-06 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 15 65.95 340.46 72.38 5.72E-03 0 1.73E-07 -6.27E-08 9.44E-07 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 20 66 329.66 73.99 4.96E-03 0 1.25E-07 -7.50E-08 8.27E-07 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 25 66.05 359.33 76.75 4.91E-03 0 1.19E-07 -1.42E-09 8.29E-07 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 30 66.1 313.81 81.64 5.15E-03 0 5.50E-08 -5.86E-08 8.83E-07 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 35 66.15 356.28 70.58 6.38E-03 0 2.25E-07 -1.49E-08 1.04E-06 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 40 66.2 332.26 64.93 1.09E-02 0 4.33E-07 -2.33E-07 1.71E-06 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 45 66.25 337.48 70.02 1.41E-02 0 4.71E-07 -2.00E-07 2.29E-06 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 50 66.3 332.25 63.85 1.96E-02 0 8.11E-07 -4.36E-07 3.05E-06 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 55 66.35 322.43 68.89 2.18E-02 0 6.60E-07 -5.19E-07 3.52E-06 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 60 66.4 319.24 75.41 1.77E-02 0 3.58E-07 -3.15E-07 2.97E-06 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 65 66.45 347.75 75.72 1.41E-02 0 3.61E-07 -8.01E-08 2.37E-06 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 70 66.5 11.52 70.61 1.27E-02 0 4.39E-07 9.16E-08 2.08E-06 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 75 66.55 2.29 72.48 1.32E-02 0 4.20E-07 1.72E-08 2.18E-06 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 80 66.6 303.13 77.84 1.10E-02 0 1.34E-07 -2.10E-07 1.86E-06 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 85 66.65 310.75 72.89 1.14E-02 0 2.32E-07 -2.75E-07 1.89E-06 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 90 66.7 15.25 76.94 1.20E-02 0 2.78E-07 7.74E-08 2.03E-06 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 95 66.75 10.16 79.82 1.12E-02 0 2.07E-07 3.79E-08 1.91E-06 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 100 66.8 326.23 71.31 1.15E-02 0 3.24E-07 -2.21E-07 1.88E-06 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 105 66.85 340.14 70.97 1.44E-02 0 4.69E-07 -1.73E-07 2.36E-06 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 110 66.9 358.09 76.82 1.47E-02 0 3.56E-07 -1.21E-08 2.48E-06 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 115 66.95 323.06 77.77 1.51E-02 0 2.71E-07 -2.08E-07 2.56E-06 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 120 67 353.13 79.79 1.43E-02 0 2.68E-07 -3.30E-08 2.45E-06 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 125 67.05 348.46 69.63 1.78E-02 0 6.42E-07 -1.34E-07 2.89E-06 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 130 67.1 321.14 71.13 1.59E-02 0 4.26E-07 -3.51E-07 2.62E-06 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 135 67.15 69.83 87.23 1.29E-02 0 2.28E-08 6.35E-08 2.24E-06 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 140 67.2 268.81 72.72 1.02E-02 0 -6.65E-09 -3.27E-07 1.68E-06 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 145 67.25 8.66 73.56 9.45E-03 0 2.81E-07 4.37E-08 1.57E-06 03/12/97 Yes Yes 2062 172 1061 C 8 H 3 150 67.3 189.47 75.33 7.25E-03 0 -1.92E-07 -3.28E-08 1.22E-06 03/12/97 Yes Yes 2062 172 1061 C 8 H 4 0 67.3 355.55 59.93 2.41E-03 0 1.28E-07 -1.02E-08 3.62E-07 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 5 67.35 339.74 67.82 5.13E-03 0 1.92E-07 -7.26E-08 8.23E-07 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 10 67.4 355.56 67.19 7.05E-03 0 2.89E-07 -2.30E-08 1.13E-06 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 15 67.45 323.31 66.35 8.05E-03 0 2.75E-07 -2.09E-07 1.28E-06 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 20 67.5 314.23 72.66 6.95E-03 0 1.53E-07 -1.61E-07 1.15E-06 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 25 67.55 329.49 74.16 5.82E-03 0 1.45E-07 -8.74E-08 9.70E-07 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 30 67.6 339.89 71.84 6.16E-03 0 1.91E-07 -7.15E-08 1.01E-06 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 35 67.65 326.08 72.3 6.79E-03 0 1.82E-07 -1.25E-07 1.12E-06 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 40 67.7 342.43 70.49 7.88E-03 0 2.66E-07 -8.61E-08 1.29E-06 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 45 67.75 22.83 73.45 8.25E-03 0 2.30E-07 9.89E-08 1.37E-06 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 50 67.8 347.28 63.13 1.11E-02 0 5.19E-07 -1.20E-07 1.71E-06 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 55 67.85 327.72 75.87 1.07E-02 0 2.33E-07 -1.51E-07 1.79E-06 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 60 67.9 327.83 76.58 9.55E-03 0 1.99E-07 -1.28E-07 1.61E-06 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 65 67.95 343.06 77.25 7.78E-03 0 1.74E-07 -5.43E-08 1.32E-06 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 70 68 342.32 71.47 8.01E-03 0 2.57E-07 -8.38E-08 1.32E-06 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 75 68.05 331.65 69.65 9.00E-03 0 2.92E-07 -1.61E-07 1.46E-06 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 80 68.1 324.25 73.97 9.30E-03 0 2.21E-07 -1.63E-07 1.55E-06 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 85 68.15 353.81 82.29 7.59E-03 0 1.07E-07 -1.19E-08 1.30E-06 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 90 68.2 344.43 77.69 6.79E-03 0 1.48E-07 -4.22E-08 1.15E-06 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 95 68.25 336.99 72.08 8.07E-03 0 2.43E-07 -1.05E-07 1.33E-06 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 100 68.3 333.04 71.5 9.21E-03 0 2.76E-07 -1.44E-07 1.51E-06 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 105 68.35 348.41 75.21 9.03E-03 0 2.39E-07 -5.02E-08 1.51E-06 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 110 68.4 333.48 75.47 8.49E-03 0 2.02E-07 -1.03E-07 1.42E-06 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 115 68.45 335.93 80.68 7.59E-03 0 1.19E-07 -5.44E-08 1.30E-06 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 120 68.5 350.83 80.91 7.14E-03 0 1.18E-07 -1.95E-08 1.22E-06 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 125 68.55 323.35 71.45 7.94E-03 0 2.15E-07 -1.63E-07 1.30E-06 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 130 68.6 324.21 74.1 8.51E-03 0 2.01E-07 -1.48E-07 1.42E-06 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 135 68.65 352.77 82.65 8.75E-03 0 1.18E-07 -1.53E-08 1.50E-06 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 140 68.7 346.19 73.47 8.55E-03 0 2.51E-07 -6.30E-08 1.42E-06 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 145 68.75 321.79 69.5 8.48E-03 0 2.48E-07 -1.99E-07 1.38E-06 03/12/97 Yes Yes 2064 172 1061 C 8 H 4 150 68.8 211.88 80.19 4.51E-03 0 -6.93E-08 -4.40E-08 7.71E-07 03/12/97 Yes Yes 2064 172 1061 C 8 H 5 0 68.8 320.93 49.09 6.53E-03 0 3.52E-07 -2.92E-07 8.55E-07 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 5 68.85 26.29 80.03 1.03E-02 0 1.69E-07 8.54E-08 1.75E-06 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 10 68.9 346.64 81.51 8.78E-03 0 1.34E-07 -3.25E-08 1.51E-06 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 15 68.95 323.76 68.47 8.10E-03 0 2.54E-07 -1.91E-07 1.31E-06 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 20 69 325.43 75.42 7.68E-03 0 1.69E-07 -1.19E-07 1.29E-06 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 25 69.05 298.53 75.58 6.33E-03 0 7.99E-08 -1.50E-07 1.06E-06 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 30 69.1 332.19 75.87 5.48E-03 0 1.26E-07 -6.77E-08 9.22E-07 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 35 69.15 32.98 71.46 5.71E-03 0 1.62E-07 1.07E-07 9.38E-07 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 40 69.2 299.7 72.8 6.42E-03 0 9.97E-08 -1.79E-07 1.06E-06 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 45 69.25 300.03 64.04 5.80E-03 0 1.35E-07 -2.38E-07 9.04E-07 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 50 69.3 319.09 66.58 5.55E-03 0 1.77E-07 -1.57E-07 8.82E-07 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 55 69.35 322.34 67.5 5.62E-03 0 1.81E-07 -1.42E-07 9.00E-07 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 60 69.4 328.55 67.98 5.36E-03 0 1.82E-07 -1.14E-07 8.61E-07 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 65 69.45 341.66 60.66 6.26E-03 0 3.09E-07 -1.05E-07 9.46E-07 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 70 69.5 349.59 84.53 6.35E-03 0 6.32E-08 -1.19E-08 1.10E-06 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 75 69.55 332.88 73.95 5.96E-03 0 1.56E-07 -8.15E-08 9.93E-07 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 80 69.6 324.28 70.24 6.09E-03 0 1.77E-07 -1.30E-07 9.93E-07 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 85 69.65 308.67 72.69 5.10E-03 0 1.01E-07 -1.29E-07 8.44E-07 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 90 69.7 334.11 72.56 4.48E-03 0 1.28E-07 -6.37E-08 7.42E-07 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 95 69.75 328.66 71.9 4.63E-03 0 1.30E-07 -8.11E-08 7.63E-07 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 100 69.8 315.47 67.89 4.77E-03 0 1.36E-07 -1.37E-07 7.66E-07 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 105 69.85 318.32 65.7 4.94E-03 0 1.61E-07 -1.46E-07 7.80E-07 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 110 69.9 350.81 69.77 5.30E-03 0 1.92E-07 -3.17E-08 8.62E-07 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 115 69.95 305.56 63.88 5.72E-03 0 1.55E-07 -2.22E-07 8.90E-07 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 120 70 312.73 61.09 5.38E-03 0 1.87E-07 -2.07E-07 8.16E-07 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 125 70.05 326.12 63.55 5.38E-03 0 2.11E-07 -1.45E-07 8.35E-07 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 130 70.1 334.08 65.09 5.54E-03 0 2.23E-07 -1.11E-07 8.72E-07 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 135 70.15 323.08 62.58 6.05E-03 0 2.36E-07 -1.81E-07 9.30E-07 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 140 70.2 324.17 60.26 6.54E-03 0 2.79E-07 -2.06E-07 9.85E-07 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 145 70.25 332.95 67.81 6.03E-03 0 2.15E-07 -1.12E-07 9.68E-07 03/12/97 Yes Yes 2066 172 1061 C 8 H 5 150 70.3 174.09 80.65 2.97E-03 0 -5.09E-08 5.39E-09 5.08E-07 03/12/97 Yes Yes 2066 172 1061 C 8 H 6 0 70.3 340.07 52.54 3.02E-03 0 1.83E-07 -6.78E-08 4.15E-07 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 5 70.35 337.21 65.94 5.38E-03 0 2.15E-07 -9.22E-08 8.52E-07 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 10 70.4 327.54 68.91 5.76E-03 0 1.85E-07 -1.21E-07 9.31E-07 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 15 70.45 323.6 68.92 5.63E-03 0 1.73E-07 -1.30E-07 9.10E-07 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 20 70.5 333.78 68.45 5.60E-03 0 1.96E-07 -9.85E-08 9.03E-07 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 25 70.55 333.78 68.33 5.97E-03 0 2.10E-07 -1.06E-07 9.61E-07 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 30 70.6 326.93 68.52 6.25E-03 0 2.04E-07 -1.36E-07 1.01E-06 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 35 70.65 344.17 74.35 5.41E-03 0 1.49E-07 -4.32E-08 9.04E-07 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 40 70.7 345.67 73.03 4.63E-03 0 1.39E-07 -3.63E-08 7.67E-07 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 45 70.75 328.08 69.77 4.10E-03 0 1.28E-07 -8.13E-08 6.67E-07 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 50 70.8 330.26 68.53 3.69E-03 0 1.24E-07 -7.26E-08 5.95E-07 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 55 70.85 338.59 72.11 3.23E-03 0 9.79E-08 -3.93E-08 5.32E-07 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 60 70.9 329.36 72.4 2.82E-03 0 7.79E-08 -4.72E-08 4.67E-07 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 65 70.95 326.9 73.04 2.55E-03 0 6.61E-08 -4.41E-08 4.23E-07 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 70 71 330.6 74.91 2.32E-03 0 5.58E-08 -3.22E-08 3.88E-07 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 75 71.05 334.87 69.6 2.65E-03 0 8.88E-08 -4.26E-08 4.31E-07 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 80 71.1 341.93 69.15 3.47E-03 0 1.25E-07 -4.15E-08 5.62E-07 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 85 71.15 334.3 67.36 4.17E-03 0 1.54E-07 -7.55E-08 6.68E-07 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 90 71.2 332.91 65.52 4.95E-03 0 1.94E-07 -1.01E-07 7.81E-07 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 95 71.25 328.16 66.97 5.08E-03 0 1.79E-07 -1.14E-07 8.11E-07 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 100 71.3 325.01 74.65 4.70E-03 0 1.08E-07 -7.73E-08 7.85E-07 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 105 71.35 327.03 71.93 4.79E-03 0 1.32E-07 -8.77E-08 7.90E-07 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 110 71.4 336.13 68.62 5.32E-03 0 1.88E-07 -8.52E-08 8.59E-07 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 115 71.45 342.25 65.79 6.12E-03 0 2.53E-07 -8.30E-08 9.67E-07 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 120 71.5 336.44 70.62 6.12E-03 0 1.98E-07 -8.81E-08 1.00E-06 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 125 71.55 323.64 75.47 4.98E-03 0 1.07E-07 -8.04E-08 8.36E-07 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 130 71.6 330.48 69.94 4.75E-03 0 1.50E-07 -8.70E-08 7.73E-07 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 135 71.65 329.99 66.06 6.00E-03 0 2.24E-07 -1.32E-07 9.51E-07 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 140 71.7 327.77 66.69 6.92E-03 0 2.46E-07 -1.58E-07 1.10E-06 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 145 71.75 328.75 68.64 6.18E-03 0 2.04E-07 -1.27E-07 9.98E-07 03/12/97 Yes Yes 2068 172 1061 C 8 H 6 150 71.8 336.4 87.84 3.34E-03 0 1.22E-08 -5.45E-09 5.78E-07 03/12/97 Yes Yes 2068 172 1061 C 8 H 7 0 71.8 348.16 63.76 3.00E-03 0 1.38E-07 -2.95E-08 4.67E-07 03/12/97 Yes Yes 2071 172 1061 C 8 H 7 5 71.85 331.92 67.33 7.42E-03 0 2.68E-07 -1.46E-07 1.19E-06 03/12/97 Yes Yes 2071 172 1061 C 8 H 7 10 71.9 333.52 72.14 8.66E-03 0 2.52E-07 -1.28E-07 1.43E-06 03/12/97 Yes Yes 2071 172 1061 C 8 H 7 15 71.95 343.85 69.91 8.80E-03 0 3.08E-07 -9.13E-08 1.43E-06 03/12/97 Yes Yes 2071 172 1061 C 8 H 7 20 72 329.8 66.01 1.10E-02 0 4.10E-07 -2.44E-07 1.74E-06 03/12/97 Yes Yes 2071 172 1061 C 8 H 7 25 72.05 335.92 71.35 1.15E-02 0 3.55E-07 -1.62E-07 1.88E-06 03/12/97 Yes Yes 2071 172 1061 C 8 H 7 30 72.1 342.03 73.67 1.05E-02 0 2.98E-07 -9.89E-08 1.75E-06 03/12/97 Yes Yes 2071 172 1061 C 8 H 7 35 72.15 343.69 73.98 9.64E-03 0 2.71E-07 -8.10E-08 1.61E-06 03/12/97 Yes Yes 2071 172 1061 C 8 H 7 40 72.2 346.09 70.53 9.74E-03 0 3.34E-07 -8.47E-08 1.59E-06 03/12/97 Yes Yes 2071 172 1061 C 8 H 7 45 72.25 328.28 67.99 9.95E-03 0 3.36E-07 -2.13E-07 1.60E-06 03/12/97 Yes Yes 2071 172 1061 C 8 H 7 50 72.3 323.69 69.85 9.06E-03 0 2.67E-07 -2.00E-07 1.47E-06 03/12/97 Yes Yes 2071 172 1061 C 8 H 7 55 72.35 321.41 76.32 7.80E-03 0 1.53E-07 -1.25E-07 1.31E-06 03/12/97 Yes Yes 2071 172 1061 C 8 H 7 60 72.4 6.44 64.44 1.07E-02 0 4.85E-07 5.59E-08 1.67E-06 03/12/97 Yes Yes 2071 172 1061 C 8 H 7 65 72.45 339.34 71.9 1.86E-02 0 5.72E-07 -2.21E-07 3.06E-06 03/12/97 Yes Yes 2071 172 1061 C 8 H 7 70 72.5 275.59 76.05 1.65E-02 0 4.11E-08 -4.29E-07 2.77E-06 03/12/97 Yes Yes 2071 172 1061 C 8 H 7 75 72.55 336.73 56.8 1.44E-02 0 7.66E-07 -3.37E-07 2.08E-06 03/12/97 Yes Yes 2071 172 1061 C 8 H 7 80 72.6 337.24 46.62 1.68E-02 0 1.13E-06 -4.84E-07 2.12E-06 03/12/97 Yes Yes 2071 172 1061 C 8 H 7 85 72.65 319.66 54.43 1.29E-02 0 6.05E-07 -5.25E-07 1.81E-06 03/12/97 Yes Yes 2071 172 1061 C 9 H 1 0 72.3 9.05 52.89 2.84E-03 0 1.80E-07 2.92E-08 3.93E-07 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 5 72.35 15.18 55.89 6.94E-03 0 3.98E-07 1.11E-07 9.96E-07 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 10 72.4 14.16 58.47 8.44E-03 0 4.54E-07 1.17E-07 1.25E-06 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 15 72.45 16.25 59.52 9.06E-03 0 4.68E-07 1.39E-07 1.35E-06 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 20 72.5 15.16 74.15 7.41E-03 0 2.07E-07 5.74E-08 1.24E-06 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 25 72.55 3.12 58.17 6.31E-03 0 3.53E-07 1.97E-08 9.30E-07 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 30 72.6 345.36 68.11 6.61E-03 0 2.53E-07 -6.76E-08 1.06E-06 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 35 72.65 13.4 68.68 5.94E-03 0 2.23E-07 5.43E-08 9.59E-07 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 40 72.7 0.64 59.66 6.82E-03 0 3.66E-07 4.19E-09 1.02E-06 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 45 72.75 6.31 64.03 7.10E-03 0 3.28E-07 3.71E-08 1.11E-06 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 50 72.8 360 70.16 6.00E-03 0 2.16E-07 -1.91E-11 9.78E-07 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 55 72.85 10.6 71.15 4.59E-03 0 1.55E-07 2.96E-08 7.54E-07 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 60 72.9 14.36 62.77 3.78E-03 0 1.78E-07 4.65E-08 5.82E-07 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 65 72.95 9.79 63.4 3.54E-03 0 1.66E-07 2.93E-08 5.49E-07 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 70 73 33.17 61.42 3.28E-03 0 1.39E-07 9.31E-08 4.99E-07 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 75 73.05 352.91 68.6 3.55E-03 0 1.36E-07 -1.73E-08 5.73E-07 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 80 73.1 2.88 67.65 2.74E-03 0 1.10E-07 5.67E-09 4.39E-07 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 85 73.15 8.02 57.25 2.95E-03 0 1.68E-07 2.41E-08 4.30E-07 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 90 73.2 13.66 59.39 2.94E-03 0 1.54E-07 3.83E-08 4.38E-07 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 95 73.25 17.71 60.26 2.74E-03 0 1.38E-07 4.49E-08 4.13E-07 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 100 73.3 15.85 62.88 2.45E-03 0 1.14E-07 3.31E-08 3.78E-07 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 105 73.35 14.49 52.41 2.69E-03 0 1.69E-07 4.46E-08 3.70E-07 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 110 73.4 6.94 65.36 2.95E-03 0 1.30E-07 1.61E-08 4.65E-07 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 115 73.45 35.56 81.44 2.23E-03 0 2.86E-08 2.09E-08 3.82E-07 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 120 73.5 349.2 66.25 2.32E-03 0 9.75E-08 -1.90E-08 3.69E-07 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 125 73.55 326.21 52.42 3.38E-03 0 1.82E-07 -1.24E-07 4.64E-07 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 130 73.6 258.87 80.06 2.34E-03 0 -8.27E-09 -4.30E-08 3.99E-07 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 135 73.65 27.03 71.01 1.63E-03 0 5.02E-08 2.62E-08 2.68E-07 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 140 73.7 38.35 57.55 2.02E-03 0 8.99E-08 7.28E-08 2.95E-07 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 145 73.75 29.33 71.06 1.82E-03 0 5.45E-08 3.13E-08 2.98E-07 03/12/97 Yes Yes 2074 172 1061 C 9 H 1 150 73.8 56.83 77.8 8.30E-04 0 1.02E-08 1.59E-08 1.41E-07 03/12/97 Yes Yes 2074 172 1061 C 9 H 2 0 73.8 16.2 46.14 7.92E-04 0 5.59E-08 1.66E-08 9.90E-08 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 5 73.85 26.01 49.52 1.70E-03 0 1.05E-07 5.26E-08 2.25E-07 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 10 73.9 358.98 63.52 1.74E-03 0 8.23E-08 -1.49E-09 2.70E-07 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 15 73.95 335.69 71.09 1.44E-03 0 4.50E-08 -2.08E-08 2.36E-07 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 20 74 321.41 72.49 1.31E-03 0 3.27E-08 -2.67E-08 2.17E-07 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 25 74.05 18.17 68.74 1.29E-03 0 4.72E-08 1.58E-08 2.09E-07 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 30 74.1 116.88 72.91 9.72E-04 0 -1.37E-08 2.76E-08 1.61E-07 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 35 74.15 189.46 59.8 4.42E-04 0 -2.33E-08 -3.96E-09 6.62E-08 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 40 74.2 19.86 43.46 5.68E-04 0 4.11E-08 1.52E-08 6.77E-08 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 45 74.25 25.77 64 9.74E-04 0 4.08E-08 2.01E-08 1.52E-07 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 50 74.3 11.1 72.07 1.13E-03 0 3.63E-08 7.28E-09 1.87E-07 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 55 74.35 20.19 69.9 1.46E-03 0 4.99E-08 1.88E-08 2.37E-07 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 60 74.4 357.27 73.9 1.54E-03 0 4.52E-08 -2.20E-09 2.56E-07 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 65 74.45 24.66 64.22 1.74E-03 0 7.29E-08 3.42E-08 2.71E-07 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 70 74.5 25.26 58.22 1.95E-03 0 9.84E-08 4.75E-08 2.87E-07 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 75 74.55 26.07 56.1 1.97E-03 0 1.05E-07 5.24E-08 2.84E-07 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 80 74.6 21.46 66.15 1.77E-03 0 7.07E-08 2.84E-08 2.81E-07 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 85 74.65 25.54 63.45 1.76E-03 0 7.51E-08 3.67E-08 2.72E-07 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 90 74.7 11.64 65.21 1.80E-03 0 7.84E-08 1.65E-08 2.83E-07 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 95 74.75 318.51 72.62 1.35E-03 0 3.20E-08 -2.89E-08 2.23E-07 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 100 74.8 23.53 61.37 1.36E-03 0 6.35E-08 2.83E-08 2.07E-07 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 105 74.85 354.54 66.11 1.31E-03 0 5.60E-08 -5.47E-09 2.08E-07 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 110 74.9 14.59 64.62 1.34E-03 0 5.89E-08 1.57E-08 2.10E-07 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 115 74.95 16.7 74.06 1.07E-03 0 2.98E-08 9.15E-09 1.78E-07 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 120 75 8.62 80 8.52E-04 0 1.55E-08 2.41E-09 1.46E-07 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 125 75.05 0.31 71.98 8.48E-04 0 2.78E-08 1.53E-10 1.40E-07 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 130 75.1 26.58 73.42 9.20E-04 0 2.49E-08 1.27E-08 1.53E-07 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 135 75.15 32.81 81.2 8.23E-04 0 1.12E-08 7.40E-09 1.41E-07 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 140 75.2 5.49 67.04 1.06E-03 0 4.36E-08 4.29E-09 1.69E-07 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 145 75.25 17.2 63.63 1.53E-03 0 6.89E-08 2.18E-08 2.38E-07 03/12/97 Yes Yes 2076 172 1061 C 9 H 2 150 75.3 184.99 65.22 1.16E-03 0 -5.14E-08 -4.59E-09 1.83E-07 03/12/97 Yes Yes 2076 172 1061 C 9 H 3 0 75.3 321.9 56.01 7.12E-04 0 3.32E-08 -2.66E-08 1.02E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 5 75.35 19.01 71.89 1.63E-03 0 5.07E-08 1.79E-08 2.68E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 10 75.4 350.5 77.84 2.01E-03 0 4.42E-08 -7.56E-09 3.40E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 15 75.45 3.83 78.21 2.16E-03 0 4.67E-08 3.20E-09 3.67E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 20 75.5 2.34 75.78 2.25E-03 0 5.86E-08 2.45E-09 3.78E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 25 75.55 351.97 76.15 2.34E-03 0 5.89E-08 -8.49E-09 3.94E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 30 75.6 350.81 79.05 2.18E-03 0 4.34E-08 -7.18E-09 3.71E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 35 75.65 3.88 74.64 2.18E-03 0 6.11E-08 4.24E-09 3.64E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 40 75.7 7.69 75.31 2.12E-03 0 5.66E-08 7.81E-09 3.56E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 45 75.75 356.96 74.38 2.21E-03 0 6.31E-08 -3.43E-09 3.69E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 50 75.8 351.63 75.83 2.22E-03 0 5.69E-08 -8.56E-09 3.72E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 55 75.85 6.67 74.91 2.06E-03 0 5.65E-08 6.76E-09 3.45E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 60 75.9 1.59 74.74 2.04E-03 0 5.68E-08 1.61E-09 3.40E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 65 75.95 358.44 71.87 2.16E-03 0 7.13E-08 -1.99E-09 3.56E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 70 76 0.62 72.73 2.29E-03 0 7.21E-08 7.95E-10 3.79E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 75 76.05 0.62 75.42 2.33E-03 0 6.23E-08 6.89E-10 3.91E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 80 76.1 357.5 73.37 2.39E-03 0 7.26E-08 -3.24E-09 3.98E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 85 76.15 353.78 73.1 2.44E-03 0 7.48E-08 -8.34E-09 4.05E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 90 76.2 3.81 75.03 2.25E-03 0 6.15E-08 4.19E-09 3.77E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 95 76.25 9.34 70.74 2.28E-03 0 7.87E-08 1.32E-08 3.73E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 100 76.3 10.25 72.85 2.44E-03 0 7.51E-08 1.39E-08 4.05E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 105 76.35 4.98 71.97 2.69E-03 0 8.79E-08 7.83E-09 4.43E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 110 76.4 3.71 72.57 2.82E-03 0 8.95E-08 5.94E-09 4.67E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 115 76.45 1.75 72.82 2.96E-03 0 9.26E-08 2.90E-09 4.90E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 120 76.5 358.29 72.37 3.05E-03 0 9.79E-08 -2.99E-09 5.04E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 125 76.55 0.32 73.01 3.20E-03 0 9.93E-08 5.63E-10 5.31E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 130 76.6 345.59 78.49 3.05E-03 0 6.25E-08 -1.64E-08 5.18E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 135 76.65 11.54 78.33 3.02E-03 0 6.34E-08 1.32E-08 5.12E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 140 76.7 5.35 69.36 3.20E-03 0 1.19E-07 1.14E-08 5.19E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 145 76.75 1.9 68.04 3.38E-03 0 1.34E-07 4.55E-09 5.43E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 3 150 76.8 49.63 79.65 2.20E-03 0 2.71E-08 3.26E-08 3.75E-07 03/12/97 Yes Yes 2078 172 1061 C 9 H 4 0 76.8 322.76 52.64 2.43E-03 0 1.25E-07 -9.70E-08 3.35E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 5 76.85 34.06 61.01 4.49E-03 0 1.91E-07 1.32E-07 6.81E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 10 76.9 19.82 67.81 3.79E-03 0 1.43E-07 5.26E-08 6.08E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 15 76.95 0.27 70.53 3.57E-03 0 1.26E-07 6.00E-10 5.84E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 20 77 5.72 71.68 3.65E-03 0 1.21E-07 1.24E-08 6.01E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 25 77.05 10.73 68.86 4.18E-03 0 1.57E-07 3.04E-08 6.76E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 30 77.1 1.47 69.11 5.03E-03 0 1.90E-07 4.99E-09 8.15E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 35 77.15 8.19 82.53 4.29E-03 0 5.86E-08 8.62E-09 7.38E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 40 77.2 12.84 73.92 3.46E-03 0 9.91E-08 2.31E-08 5.76E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 45 77.25 16.5 66.24 3.93E-03 0 1.61E-07 4.88E-08 6.24E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 50 77.3 8.21 73.25 4.01E-03 0 1.21E-07 1.79E-08 6.65E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 55 77.35 350.48 75.44 3.66E-03 0 9.62E-08 -1.65E-08 6.14E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 60 77.4 4.5 74.91 3.70E-03 0 1.02E-07 8.19E-09 6.19E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 65 77.45 6.96 75.87 3.46E-03 0 8.89E-08 1.11E-08 5.82E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 70 77.5 332 60.28 4.65E-03 0 2.16E-07 -1.17E-07 6.99E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 75 77.55 346.16 66.93 5.55E-03 0 2.24E-07 -5.64E-08 8.85E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 80 77.6 49.69 77.49 4.06E-03 0 6.04E-08 7.28E-08 6.88E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 85 77.65 1.15 71.87 3.37E-03 0 1.11E-07 2.28E-09 5.56E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 90 77.7 359.37 62.38 3.72E-03 0 1.83E-07 -2.04E-09 5.71E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 95 77.75 13.61 69.98 3.81E-03 0 1.34E-07 3.33E-08 6.20E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 100 77.8 182.21 78.44 2.36E-03 0 -5.02E-08 -1.98E-09 4.01E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 105 77.85 1.81 58.66 2.43E-03 0 1.34E-07 4.34E-09 3.60E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 110 77.9 16.5 64.31 3.79E-03 0 1.67E-07 5.06E-08 5.92E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 115 77.95 12.53 73.54 3.89E-03 0 1.14E-07 2.59E-08 6.47E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 120 78 3.87 71.68 3.86E-03 0 1.28E-07 8.88E-09 6.35E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 125 78.05 3.97 69.28 4.26E-03 0 1.59E-07 1.13E-08 6.90E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 130 78.1 0.69 73.46 4.34E-03 0 1.31E-07 1.62E-09 7.22E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 135 78.15 12.73 74.14 4.29E-03 0 1.21E-07 2.80E-08 7.15E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 140 78.2 16.4 55.85 6.48E-03 0 3.70E-07 1.11E-07 9.30E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 145 78.25 7.43 72.05 6.36E-03 0 2.06E-07 2.75E-08 1.05E-06 03/12/97 Yes Yes 2080 172 1061 C 9 H 4 150 78.3 192.38 77.79 2.80E-03 0 -6.14E-08 -1.38E-08 4.75E-07 03/12/97 Yes Yes 2080 172 1061 C 9 H 5 0 78.3 0.15 55.72 1.50E-03 0 8.98E-08 2.38E-10 2.15E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 5 78.35 9.15 64.53 3.28E-03 0 1.48E-07 2.43E-08 5.13E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 10 78.4 10.62 71.2 3.71E-03 0 1.25E-07 2.39E-08 6.09E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 15 78.45 7.74 72.38 3.73E-03 0 1.19E-07 1.65E-08 6.16E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 20 78.5 17.02 71.95 3.68E-03 0 1.16E-07 3.62E-08 6.06E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 25 78.55 11.09 70.9 3.63E-03 0 1.24E-07 2.48E-08 5.95E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 30 78.6 8.7 71.56 3.58E-03 0 1.19E-07 1.86E-08 5.89E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 35 78.65 3.17 66.75 4.16E-03 0 1.74E-07 9.85E-09 6.62E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 40 78.7 21.42 62.57 5.64E-03 0 2.57E-07 1.03E-07 8.68E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 45 78.75 21.28 75.53 5.43E-03 0 1.34E-07 5.34E-08 9.11E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 50 78.8 313.23 78.54 4.46E-03 0 6.43E-08 -7.00E-08 7.57E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 55 78.85 45.19 75.45 3.83E-03 0 7.19E-08 7.41E-08 6.43E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 60 78.9 8.41 72.1 3.81E-03 0 1.23E-07 1.86E-08 6.29E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 65 78.95 18.61 77.71 3.43E-03 0 7.34E-08 2.53E-08 5.81E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 70 79 19.95 72.86 3.30E-03 0 9.69E-08 3.60E-08 5.46E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 75 79.05 328.03 82.84 2.39E-03 0 2.68E-08 -1.71E-08 4.11E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 80 79.1 0.83 79.33 1.80E-03 0 3.54E-08 5.24E-10 3.07E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 85 79.15 10.92 69.61 1.59E-03 0 5.79E-08 1.14E-08 2.59E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 90 79.2 16.46 64.01 2.01E-03 0 8.97E-08 2.71E-08 3.13E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 95 79.25 21.19 67.19 2.27E-03 0 8.69E-08 3.45E-08 3.62E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 100 79.3 9.21 66.15 2.72E-03 0 1.15E-07 1.91E-08 4.32E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 105 79.35 19.49 74.25 2.57E-03 0 6.99E-08 2.53E-08 4.29E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 110 79.4 17.34 73.86 2.11E-03 0 5.95E-08 1.90E-08 3.52E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 115 79.45 18.72 68.8 2.00E-03 0 7.27E-08 2.52E-08 3.23E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 120 79.5 20.58 70.57 1.93E-03 0 6.36E-08 2.44E-08 3.15E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 125 79.55 21.01 70.9 1.80E-03 0 5.82E-08 2.29E-08 2.94E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 130 79.6 24.75 70.37 1.76E-03 0 5.69E-08 2.68E-08 2.87E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 135 79.65 17.45 68.38 1.84E-03 0 6.85E-08 2.20E-08 2.96E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 140 79.7 14.73 67.69 1.88E-03 0 7.34E-08 1.97E-08 3.02E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 145 79.75 19.42 63.91 1.83E-03 0 8.04E-08 2.90E-08 2.85E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 5 150 79.8 50.6 76.29 1.05E-03 0 1.68E-08 2.09E-08 1.77E-07 03/12/97 Yes Yes 2082 172 1061 C 9 H 6 0 79.8 14.61 50.86 6.53E-04 0 4.23E-08 1.13E-08 8.78E-08 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 5 79.85 18.5 63.27 1.16E-03 0 5.23E-08 1.79E-08 1.79E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 10 79.9 12.67 72.63 1.14E-03 0 3.54E-08 8.13E-09 1.89E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 15 79.95 3.19 72.39 1.32E-03 0 4.22E-08 2.40E-09 2.17E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 20 80 19.59 73.65 1.58E-03 0 4.45E-08 1.62E-08 2.63E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 25 80.05 15.88 69.01 1.91E-03 0 6.99E-08 2.03E-08 3.10E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 30 80.1 6.39 65.87 2.73E-03 0 1.18E-07 1.35E-08 4.31E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 35 80.15 11.12 74.33 2.77E-03 0 7.78E-08 1.56E-08 4.62E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 40 80.2 0.18 72.02 2.71E-03 0 8.86E-08 2.87E-10 4.46E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 45 80.25 350.73 71.54 2.85E-03 0 9.46E-08 -1.58E-08 4.69E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 50 80.3 1.62 74.4 2.82E-03 0 8.03E-08 2.33E-09 4.70E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 55 80.35 17.99 76.15 2.41E-03 0 5.82E-08 1.93E-08 4.06E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 60 80.4 9.12 73.93 2.10E-03 0 6.09E-08 9.99E-09 3.50E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 65 80.45 8.14 73.13 1.93E-03 0 5.89E-08 8.61E-09 3.21E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 70 80.5 10.37 73.01 1.86E-03 0 5.67E-08 1.06E-08 3.08E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 75 80.55 11.02 70.86 1.86E-03 0 6.36E-08 1.27E-08 3.05E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 80 80.6 6.18 69.8 1.95E-03 0 7.12E-08 7.88E-09 3.18E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 85 80.65 1.52 73.19 1.99E-03 0 6.10E-08 1.66E-09 3.30E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 90 80.7 17.22 70.23 2.05E-03 0 7.02E-08 2.22E-08 3.34E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 95 80.75 1.81 70.31 2.49E-03 0 8.90E-08 2.87E-09 4.07E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 100 80.8 336.01 71.43 2.67E-03 0 8.23E-08 -3.74E-08 4.38E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 105 80.85 3.2 73.56 2.61E-03 0 7.81E-08 4.46E-09 4.33E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 110 80.9 16.56 69.79 2.75E-03 0 9.64E-08 2.93E-08 4.47E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 115 80.95 13.69 76.3 2.60E-03 0 6.33E-08 1.58E-08 4.37E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 120 81 4.05 81.49 2.06E-03 0 3.22E-08 2.33E-09 3.53E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 125 81.05 8.54 72.41 1.96E-03 0 6.21E-08 9.53E-09 3.24E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 130 81.1 5.57 69.16 2.37E-03 0 8.90E-08 8.87E-09 3.84E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 135 81.15 4.93 75.73 2.51E-03 0 6.53E-08 5.76E-09 4.21E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 140 81.2 0.73 71.36 2.58E-03 0 8.74E-08 1.14E-09 4.24E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 145 81.25 7.82 69.93 2.43E-03 0 8.76E-08 1.23E-08 3.96E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 6 150 81.3 123.37 70.7 1.47E-03 0 -2.84E-08 4.40E-08 2.40E-07 03/12/97 Yes Yes 2084 172 1061 C 9 H 7 0 81.3 351.46 53.52 1.00E-03 0 6.24E-08 -9.58E-09 1.39E-07 03/12/97 Yes Yes 2086 172 1061 C 9 H 7 5 81.35 355.27 64.87 2.05E-03 0 9.20E-08 -7.79E-09 3.22E-07 03/12/97 Yes Yes 2086 172 1061 C 9 H 7 10 81.4 352.65 71.63 2.18E-03 0 7.22E-08 -9.52E-09 3.58E-07 03/12/97 Yes Yes 2086 172 1061 C 9 H 7 15 81.45 356.68 74.7 1.98E-03 0 5.52E-08 -3.27E-09 3.30E-07 03/12/97 Yes Yes 2086 172 1061 C 9 H 7 20 81.5 1.72 69.45 1.77E-03 0 6.60E-08 2.03E-09 2.88E-07 03/12/97 Yes Yes 2086 172 1061 C 9 H 7 25 81.55 334.26 67.68 1.54E-03 0 5.60E-08 -2.76E-08 2.47E-07 03/12/97 Yes Yes 2086 172 1061 C 9 H 7 30 81.6 4.46 62.82 2.18E-03 0 1.05E-07 8.40E-09 3.36E-07 03/12/97 Yes Yes 2086 172 1061 C 9 H 7 35 81.65 12.33 64.55 3.02E-03 0 1.35E-07 3.01E-08 4.73E-07 03/12/97 Yes Yes 2086 172 1061 C 9 H 7 40 81.7 25.02 73.96 2.77E-03 0 7.35E-08 3.51E-08 4.61E-07 03/12/97 Yes Yes 2086 172 1061 C 9 H 7 45 81.75 358.7 76.66 2.19E-03 0 5.36E-08 -1.24E-09 3.70E-07 03/12/97 Yes Yes 2086 172 1061 C 9 H 7 50 81.8 345.33 72.94 2.11E-03 0 6.34E-08 -1.70E-08 3.49E-07 03/12/97 Yes Yes 2086 172 1061 C 9 H 7 55 81.85 84.5 40.24 3.53E-03 0 2.74E-08 2.91E-07 3.95E-07 03/12/97 Yes Yes 2086 172 1061 C 9 H 7 60 81.9 90.43 71.42 3.43E-03 0 -8.79E-10 1.19E-07 5.64E-07 03/12/97 Yes Yes 2086 172 1061 C 9 H 7 65 81.95 327.51 72.09 2.67E-03 0 7.34E-08 -4.78E-08 4.40E-07 03/12/97 Yes Yes 2086 172 1061 C 9 H 7 70 82 1.13 73.52 3.22E-03 0 9.69E-08 1.95E-09 5.35E-07 03/12/97 Yes Yes 2086 172 1061 C 9 H 7 75 82.05 187.27 78.79 2.81E-03 0 -5.74E-08 -7.49E-09 4.78E-07 03/12/97 Yes Yes 2086 172 1061 C 9 H 7 80 82.1 157.69 67.98 1.59E-03 0 -5.86E-08 2.46E-08 2.56E-07 03/12/97 Yes Yes 2086 172 1061 C 9 H 7 85 82.15 33.98 60.36 9.56E-04 0 4.16E-08 2.87E-08 1.44E-07 03/12/97 Yes Yes 2086 172 1061 C 10 H 1 0 81.8 1.08 51.02 8.01E-04 0 5.34E-08 1.03E-09 1.08E-07 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 5 81.85 332.19 64.37 2.14E-03 0 8.70E-08 -4.69E-08 3.35E-07 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 10 81.9 323.71 69.95 3.26E-03 0 9.56E-08 -7.18E-08 5.31E-07 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 15 81.95 335.37 70.93 4.12E-03 0 1.30E-07 -6.09E-08 6.76E-07 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 20 82 340.84 68.38 4.84E-03 0 1.79E-07 -6.35E-08 7.80E-07 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 25 82.05 281.79 78.6 4.69E-03 0 2.01E-08 -9.85E-08 7.98E-07 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 30 82.1 300.32 82.76 3.75E-03 0 2.53E-08 -4.42E-08 6.44E-07 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 35 82.15 329.18 71.9 3.97E-03 0 1.12E-07 -6.86E-08 6.55E-07 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 40 82.2 324.58 73.4 4.30E-03 0 1.06E-07 -7.73E-08 7.15E-07 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 45 82.25 318.21 75.99 4.02E-03 0 7.70E-08 -7.04E-08 6.76E-07 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 50 82.3 305.94 74.62 3.45E-03 0 5.70E-08 -8.04E-08 5.77E-07 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 55 82.35 312.82 70.96 3.32E-03 0 7.79E-08 -8.60E-08 5.43E-07 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 60 82.4 308.62 78.08 2.87E-03 0 3.93E-08 -5.03E-08 4.87E-07 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 65 82.45 308.01 72.62 2.53E-03 0 4.93E-08 -6.45E-08 4.18E-07 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 70 82.5 315.35 67.56 2.91E-03 0 8.39E-08 -8.47E-08 4.66E-07 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 75 82.55 314.94 69.62 3.10E-03 0 8.09E-08 -8.29E-08 5.04E-07 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 80 82.6 312.94 77.49 3.02E-03 0 4.73E-08 -5.19E-08 5.11E-07 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 85 82.65 300.12 71.02 3.12E-03 0 5.41E-08 -9.53E-08 5.12E-07 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 90 82.7 305.08 70.64 3.36E-03 0 6.79E-08 -9.88E-08 5.49E-07 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 95 82.75 300.34 69.22 3.43E-03 0 6.52E-08 -1.14E-07 5.56E-07 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 100 82.8 313.99 75.28 3.12E-03 0 5.85E-08 -6.19E-08 5.24E-07 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 105 82.85 322.31 68.58 3.52E-03 0 1.08E-07 -8.52E-08 5.68E-07 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 110 82.9 293.82 68.74 3.97E-03 0 6.16E-08 -1.43E-07 6.41E-07 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 115 82.95 282.82 76.87 3.66E-03 0 1.96E-08 -8.80E-08 6.18E-07 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 120 83 316.16 70.45 4.39E-03 0 1.12E-07 -1.10E-07 7.18E-07 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 125 83.05 313.52 66.24 7.05E-03 0 2.07E-07 -2.23E-07 1.12E-06 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 130 83.1 304.38 66.22 9.12E-03 0 2.20E-07 -3.29E-07 1.45E-06 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 135 83.15 307.28 65.27 9.51E-03 0 2.56E-07 -3.43E-07 1.50E-06 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 140 83.2 315.81 56.71 1.13E-02 0 4.74E-07 -4.71E-07 1.64E-06 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 145 83.25 312.79 62.89 1.04E-02 0 3.42E-07 -3.78E-07 1.61E-06 03/12/97 Yes Yes 2088 172 1061 C 10 H 1 150 83.3 238.01 79.21 4.52E-03 0 -4.76E-08 -7.78E-08 7.70E-07 03/12/97 Yes Yes 2088 172 1061 C 10 H 2 0 83.3 335.41 51.67 6.15E-03 0 3.68E-07 -1.72E-07 8.36E-07 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 5 83.35 321.86 58.89 1.20E-02 0 5.16E-07 -4.14E-07 1.78E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 10 83.4 315.24 63.07 1.34E-02 0 4.57E-07 -4.63E-07 2.07E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 15 83.45 310.76 63.94 1.45E-02 0 4.41E-07 -5.23E-07 2.26E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 20 83.5 308.39 64.27 1.51E-02 0 4.33E-07 -5.59E-07 2.37E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 25 83.55 308.89 66.37 1.56E-02 0 4.17E-07 -5.28E-07 2.48E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 30 83.6 307.08 67.74 1.67E-02 0 4.05E-07 -5.48E-07 2.68E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 35 83.65 299.44 65.8 1.79E-02 0 3.83E-07 -6.93E-07 2.83E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 40 83.7 290.41 61.23 1.94E-02 0 3.46E-07 -9.49E-07 2.95E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 45 83.75 292.06 62.52 1.99E-02 0 3.65E-07 -9.21E-07 3.05E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 50 83.8 304.48 77.34 2.02E-02 0 2.66E-07 -3.96E-07 3.42E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 55 83.85 293.71 70.31 2.03E-02 0 2.92E-07 -6.80E-07 3.32E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 60 83.9 317.57 62.26 2.53E-02 0 9.23E-07 -8.63E-07 3.89E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 65 83.95 307.89 62.67 3.18E-02 0 9.50E-07 -1.25E-06 4.89E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 70 84 300.44 65.21 3.17E-02 0 7.14E-07 -1.24E-06 4.99E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 75 84.05 295.33 67.21 2.65E-02 0 4.66E-07 -1.01E-06 4.24E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 80 84.1 309.82 70.76 2.23E-02 0 4.99E-07 -6.12E-07 3.65E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 85 84.15 305.97 62.63 2.45E-02 0 7.00E-07 -9.87E-07 3.77E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 90 84.2 301.56 60.69 2.80E-02 0 7.61E-07 -1.27E-06 4.23E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 95 84.25 298.76 58.7 2.79E-02 0 7.40E-07 -1.38E-06 4.13E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 100 84.3 303.49 50.05 3.27E-02 0 1.23E-06 -1.90E-06 4.35E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 105 84.35 299.43 50.98 3.73E-02 0 1.22E-06 -2.22E-06 5.02E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 110 84.4 300.22 61.3 3.28E-02 0 8.41E-07 -1.48E-06 4.99E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 115 84.45 312.89 65.41 3.45E-02 0 1.04E-06 -1.14E-06 5.44E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 120 84.5 301.86 65.91 3.87E-02 0 8.84E-07 -1.45E-06 6.12E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 125 84.55 286.36 70.46 3.70E-02 0 3.70E-07 -1.29E-06 6.04E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 130 84.6 317.36 71.6 3.29E-02 0 8.11E-07 -7.64E-07 5.42E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 135 84.65 328.27 69.79 3.29E-02 0 1.03E-06 -6.49E-07 5.36E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 140 84.7 301.66 69.24 2.89E-02 0 5.71E-07 -9.47E-07 4.69E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 145 84.75 292.61 57.4 2.97E-02 0 6.51E-07 -1.60E-06 4.33E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 2 150 84.8 262.97 65.71 1.74E-02 0 -9.28E-08 -7.69E-07 2.74E-06 03/12/97 Yes Yes 2090 172 1061 C 10 H 3 0 84.8 337.35 60.29 1.31E-02 0 6.34E-07 -2.70E-07 1.97E-06 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 5 84.85 303.3 57.59 3.14E-02 0 9.80E-07 -1.52E-06 4.59E-06 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 10 84.9 298.97 55.16 4.09E-02 0 1.20E-06 -2.21E-06 5.81E-06 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 15 84.95 305.12 51.77 4.82E-02 0 1.82E-06 -2.65E-06 6.57E-06 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 20 85 314.06 54.78 4.81E-02 0 2.05E-06 -2.16E-06 6.82E-06 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 25 85.05 307.34 61.53 4.27E-02 0 1.31E-06 -1.76E-06 6.51E-06 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 30 85.1 291.66 62.75 3.70E-02 0 6.63E-07 -1.71E-06 5.70E-06 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 35 85.15 282.62 72.4 2.59E-02 0 1.82E-07 -8.30E-07 4.29E-06 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 40 85.2 293.59 82.11 1.59E-02 0 9.25E-08 -2.17E-07 2.73E-06 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 45 85.25 312.31 77.94 1.17E-02 0 1.74E-07 -1.96E-07 1.98E-06 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 50 85.3 320.96 73.92 1.07E-02 0 2.45E-07 -2.03E-07 1.79E-06 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 55 85.35 313.43 67.34 1.09E-02 0 3.07E-07 -3.31E-07 1.75E-06 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 60 85.4 291.76 71.51 9.99E-03 0 1.25E-07 -3.19E-07 1.64E-06 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 65 85.45 298.7 65.94 8.60E-03 0 1.79E-07 -3.34E-07 1.36E-06 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 70 85.5 303.85 60.07 9.61E-03 0 2.83E-07 -4.32E-07 1.44E-06 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 75 85.55 320.73 72.08 8.24E-03 0 2.08E-07 -1.74E-07 1.36E-06 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 80 85.6 318.8 75.93 7.00E-03 0 1.36E-07 -1.22E-07 1.18E-06 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 85 85.65 291.24 80.53 5.40E-03 0 3.41E-08 -8.97E-08 9.23E-07 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 90 85.7 335.81 76.35 4.46E-03 0 1.02E-07 -4.68E-08 7.52E-07 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 95 85.75 326.64 78.08 4.06E-03 0 7.43E-08 -5.00E-08 6.88E-07 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 100 85.8 323.98 74.42 4.64E-03 0 1.07E-07 -7.95E-08 7.75E-07 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 105 85.85 292.89 69.78 6.09E-03 0 8.69E-08 -2.10E-07 9.92E-07 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 110 85.9 283.86 79.58 7.27E-03 0 3.34E-08 -1.39E-07 1.24E-06 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 115 85.95 350.81 64.3 1.41E-02 0 6.38E-07 -1.06E-07 2.20E-06 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 120 86 350.49 72.33 2.19E-02 0 6.96E-07 -1.19E-07 3.62E-06 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 125 86.05 328.8 68.02 2.80E-02 0 9.51E-07 -5.89E-07 4.50E-06 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 130 86.1 312.68 57.01 4.18E-02 0 1.64E-06 -1.82E-06 6.08E-06 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 135 86.15 310.02 59.4 3.86E-02 0 1.34E-06 -1.63E-06 5.77E-06 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 140 86.2 297.09 71.93 2.41E-02 0 3.62E-07 -7.23E-07 3.98E-06 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 145 86.25 143.41 77.97 9.29E-03 0 -1.65E-07 1.25E-07 1.58E-06 03/12/97 Yes Yes 2092 172 1061 C 10 H 3 150 86.3 173.92 79.06 3.44E-03 0 -6.89E-08 7.50E-09 5.86E-07 03/12/97 Yes Yes 2092 172 1061 C 10 H 4 0 86.3 347.28 54.38 2.52E-03 0 1.52E-07 -3.50E-08 3.55E-07 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 5 86.35 333.7 67.71 4.85E-03 0 1.75E-07 -8.84E-08 7.78E-07 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 10 86.4 290.83 76.37 4.33E-03 0 3.85E-08 -1.03E-07 7.30E-07 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 15 86.45 319.06 80.06 3.36E-03 0 4.64E-08 -4.11E-08 5.73E-07 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 20 86.5 334.01 73.13 3.97E-03 0 1.10E-07 -5.47E-08 6.58E-07 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 25 86.55 314.89 73 4.75E-03 0 1.04E-07 -1.07E-07 7.87E-07 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 30 86.6 315.06 72.42 5.36E-03 0 1.22E-07 -1.24E-07 8.86E-07 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 35 86.65 314.82 72.36 6.16E-03 0 1.39E-07 -1.44E-07 1.02E-06 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 40 86.7 303.91 76.43 5.86E-03 0 8.13E-08 -1.24E-07 9.87E-07 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 45 86.75 327.11 74.08 5.60E-03 0 1.37E-07 -9.05E-08 9.33E-07 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 50 86.8 311.58 72.29 5.75E-03 0 1.23E-07 -1.42E-07 9.49E-07 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 55 86.85 309.15 76.22 5.02E-03 0 8.01E-08 -1.01E-07 8.46E-07 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 60 86.9 306.27 71.8 4.40E-03 0 8.63E-08 -1.20E-07 7.25E-07 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 65 86.95 336.92 72.89 4.61E-03 0 1.32E-07 -5.77E-08 7.65E-07 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 70 87 348.76 71.7 5.76E-03 0 1.88E-07 -3.82E-08 9.48E-07 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 75 87.05 311.43 69.82 5.73E-03 0 1.39E-07 -1.61E-07 9.33E-07 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 80 87.1 336.08 84.47 4.35E-03 0 4.06E-08 -1.84E-08 7.51E-07 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 85 87.15 329.37 80.59 4.34E-03 0 6.47E-08 -3.92E-08 7.42E-07 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 90 87.2 320.82 79.17 4.64E-03 0 7.17E-08 -5.97E-08 7.90E-07 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 95 87.25 353.8 81.75 5.15E-03 0 7.80E-08 -8.66E-09 8.84E-07 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 100 87.3 319.82 70.59 6.77E-03 0 1.82E-07 -1.58E-07 1.11E-06 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 105 87.35 345.76 71.44 8.11E-03 0 2.65E-07 -6.88E-08 1.33E-06 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 110 87.4 323.29 78.49 8.39E-03 0 1.42E-07 -1.09E-07 1.43E-06 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 115 87.45 293.74 77.46 7.40E-03 0 6.86E-08 -1.59E-07 1.25E-06 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 120 87.5 320.01 76.92 6.56E-03 0 1.21E-07 -1.03E-07 1.11E-06 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 125 87.55 320.28 77.18 6.91E-03 0 1.25E-07 -1.06E-07 1.17E-06 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 130 87.6 317.03 77.73 6.53E-03 0 1.08E-07 -1.03E-07 1.11E-06 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 135 87.65 319.76 72.51 7.10E-03 0 1.73E-07 -1.49E-07 1.17E-06 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 140 87.7 314.24 74.73 7.05E-03 0 1.37E-07 -1.44E-07 1.18E-06 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 145 87.75 320.65 76.08 6.15E-03 0 1.21E-07 -1.02E-07 1.03E-06 03/12/97 Yes Yes 2094 172 1061 C 10 H 4 150 87.8 240.21 79.52 3.55E-03 0 -3.40E-08 -6.07E-08 6.05E-07 03/12/97 Yes Yes 2094 172 1061 C 10 H 5 0 87.8 337.83 60.91 2.37E-03 0 1.13E-07 -4.72E-08 3.59E-07 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 5 87.85 316.32 66.77 5.08E-03 0 1.54E-07 -1.50E-07 8.09E-07 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 10 87.9 325.43 78.72 5.51E-03 0 9.42E-08 -6.64E-08 9.37E-07 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 15 87.95 295.5 80.48 4.73E-03 0 3.57E-08 -7.66E-08 8.09E-07 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 20 88 313.95 71.08 4.44E-03 0 1.06E-07 -1.12E-07 7.27E-07 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 25 88.05 322.44 71.95 5.01E-03 0 1.30E-07 -1.03E-07 8.25E-07 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 30 88.1 305.59 79.45 4.61E-03 0 5.21E-08 -7.45E-08 7.86E-07 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 35 88.15 308.07 75.45 4.34E-03 0 7.14E-08 -9.32E-08 7.29E-07 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 40 88.2 331.17 72.69 5.52E-03 0 1.53E-07 -8.59E-08 9.14E-07 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 45 88.25 340.81 73.72 6.96E-03 0 1.95E-07 -6.95E-08 1.16E-06 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 50 88.3 343.84 73.2 8.47E-03 0 2.50E-07 -7.40E-08 1.41E-06 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 55 88.35 322.25 73.97 8.46E-03 0 1.96E-07 -1.55E-07 1.41E-06 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 60 88.4 306.77 78.57 6.96E-03 0 8.76E-08 -1.20E-07 1.18E-06 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 65 88.45 317.84 77.52 5.40E-03 0 9.17E-08 -8.49E-08 9.14E-07 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 70 88.5 322.94 74.32 5.35E-03 0 1.22E-07 -9.45E-08 8.93E-07 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 75 88.55 354.33 76.96 5.19E-03 0 1.24E-07 -1.25E-08 8.76E-07 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 80 88.6 332.72 75.53 5.62E-03 0 1.32E-07 -6.97E-08 9.43E-07 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 85 88.65 315.55 71.87 6.55E-03 0 1.54E-07 -1.55E-07 1.08E-06 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 90 88.7 326.21 73.78 7.51E-03 0 1.85E-07 -1.27E-07 1.25E-06 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 95 88.75 332.75 67.18 9.12E-03 0 3.33E-07 -1.76E-07 1.46E-06 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 100 88.8 313.71 67.29 1.09E-02 0 3.09E-07 -3.30E-07 1.74E-06 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 105 88.85 294.94 74.26 9.68E-03 0 1.17E-07 -2.58E-07 1.62E-06 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 110 88.9 329.27 76.81 8.09E-03 0 1.68E-07 -1.02E-07 1.37E-06 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 115 88.95 316.03 73.61 7.82E-03 0 1.69E-07 -1.66E-07 1.30E-06 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 120 89 307.57 71.77 7.68E-03 0 1.55E-07 -2.06E-07 1.26E-06 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 125 89.05 311.85 71.79 7.87E-03 0 1.74E-07 -1.99E-07 1.30E-06 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 130 89.1 318.64 69.23 9.12E-03 0 2.58E-07 -2.32E-07 1.48E-06 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 135 89.15 318.25 68.73 1.11E-02 0 3.19E-07 -2.91E-07 1.79E-06 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 140 89.2 352.23 68.75 1.34E-02 0 5.12E-07 -7.14E-08 2.17E-06 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 145 89.25 332.79 69.07 1.60E-02 0 5.38E-07 -2.83E-07 2.59E-06 03/12/97 Yes Yes 2096 172 1061 C 10 H 5 150 89.3 256.63 70.54 9.39E-03 0 -7.67E-08 -3.30E-07 1.54E-06 03/12/97 Yes Yes 2096 172 1061 C 10 H 6 0 89.3 357.98 53.38 6.46E-03 0 4.09E-07 -1.47E-08 8.99E-07 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 5 89.35 324.66 66.21 1.16E-02 0 4.04E-07 -2.93E-07 1.84E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 10 89.4 310.49 71.5 1.30E-02 0 2.83E-07 -3.39E-07 2.13E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 15 89.45 315.07 76.71 1.18E-02 0 2.03E-07 -2.07E-07 1.98E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 20 89.5 331.36 74.14 1.27E-02 0 3.23E-07 -1.81E-07 2.12E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 25 89.55 337.23 69.08 1.54E-02 0 5.39E-07 -2.31E-07 2.50E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 30 89.6 327.58 71.92 1.86E-02 0 5.16E-07 -3.35E-07 3.06E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 35 89.65 298.92 69.14 1.67E-02 0 3.05E-07 -5.64E-07 2.70E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 40 89.7 311.72 57.98 1.89E-02 0 7.06E-07 -8.10E-07 2.77E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 45 89.75 292.25 75.16 1.45E-02 0 1.49E-07 -3.73E-07 2.43E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 50 89.8 312.8 79.36 1.04E-02 0 1.38E-07 -1.52E-07 1.77E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 55 89.85 324.25 61.18 1.35E-02 0 5.58E-07 -4.11E-07 2.04E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 60 89.9 336.34 66.34 1.84E-02 0 7.16E-07 -3.21E-07 2.92E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 65 89.95 307.34 62.52 2.19E-02 0 6.49E-07 -8.70E-07 3.36E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 70 90 336.61 68.29 2.00E-02 0 7.22E-07 -3.19E-07 3.23E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 75 90.05 325.49 64.31 2.14E-02 0 8.09E-07 -5.69E-07 3.34E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 80 90.1 311.57 64.42 2.28E-02 0 6.94E-07 -8.00E-07 3.57E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 85 90.15 346.76 69.51 2.39E-02 0 8.62E-07 -2.08E-07 3.88E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 90 90.2 312.62 69.55 2.36E-02 0 5.92E-07 -6.57E-07 3.83E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 95 90.25 295.9 73.77 1.82E-02 0 2.36E-07 -4.97E-07 3.04E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 100 90.3 310.45 82.03 1.09E-02 0 1.04E-07 -1.25E-07 1.87E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 105 90.35 339.79 70.9 8.97E-03 0 2.92E-07 -1.10E-07 1.47E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 110 90.4 305.78 75.52 7.99E-03 0 1.24E-07 -1.76E-07 1.34E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 115 90.45 321.22 76.21 7.58E-03 0 1.49E-07 -1.23E-07 1.28E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 120 90.5 339.56 64.44 1.18E-02 0 5.04E-07 -1.92E-07 1.84E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 125 90.55 321.82 56.22 1.85E-02 0 8.56E-07 -6.88E-07 2.66E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 130 90.6 306.08 61.38 1.97E-02 0 5.90E-07 -8.28E-07 3.00E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 135 90.65 309.84 76.88 1.34E-02 0 2.07E-07 -2.54E-07 2.27E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 140 90.7 337.46 62.8 1.69E-02 0 7.56E-07 -3.21E-07 2.60E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 145 90.75 317.74 55.7 2.92E-02 0 1.29E-06 -1.20E-06 4.18E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 6 150 90.8 285.36 69.11 2.16E-02 0 2.16E-07 -8.04E-07 3.49E-06 03/12/97 Yes Yes 2098 172 1061 C 10 H 7 0 90.8 316.46 62.94 2.78E-02 0 9.72E-07 -9.45E-07 4.29E-06 03/12/97 Yes Yes 2100 172 1061 C 10 H 7 5 90.85 303.97 58.04 4.30E-02 0 1.35E-06 -2.05E-06 6.33E-06 03/12/97 Yes Yes 2100 172 1061 C 10 H 7 10 90.9 314.94 67.52 3.36E-02 0 9.63E-07 -9.87E-07 5.39E-06 03/12/97 Yes Yes 2100 172 1061 C 10 H 7 15 90.95 328.29 72.38 2.12E-02 0 5.79E-07 -3.66E-07 3.50E-06 03/12/97 Yes Yes 2100 172 1061 C 10 H 7 20 91 318.39 78.56 1.39E-02 0 2.18E-07 -1.98E-07 2.36E-06 03/12/97 Yes Yes 2100 172 1061 C 10 H 7 25 91.05 312.57 73.32 1.10E-02 0 2.27E-07 -2.53E-07 1.83E-06 03/12/97 Yes Yes 2100 172 1061 C 10 H 7 30 91.1 336.9 70.4 1.08E-02 0 3.54E-07 -1.54E-07 1.77E-06 03/12/97 Yes Yes 2100 172 1061 C 10 H 7 35 91.15 336.19 71.26 1.12E-02 0 3.50E-07 -1.58E-07 1.85E-06 03/12/97 Yes Yes 2100 172 1061 C 10 H 7 40 91.2 333.54 68.37 1.11E-02 0 3.90E-07 -1.99E-07 1.80E-06 03/12/97 Yes Yes 2100 172 1061 C 10 H 7 45 91.25 326.03 71.86 1.00E-02 0 2.75E-07 -1.89E-07 1.65E-06 03/12/97 Yes Yes 2100 172 1061 C 10 H 7 50 91.3 316.68 72.98 8.23E-03 0 1.86E-07 -1.79E-07 1.36E-06 03/12/97 Yes Yes 2100 172 1061 C 10 H 7 55 91.35 341.79 72.6 8.07E-03 0 2.43E-07 -8.18E-08 1.33E-06 03/12/97 Yes Yes 2100 172 1061 C 10 H 7 60 91.4 222.55 80.28 7.24E-03 0 -9.55E-08 -8.96E-08 1.24E-06 03/12/97 Yes Yes 2100 172 1061 C 10 H 7 65 91.45 298.31 67.6 3.53E-03 0 6.77E-08 -1.28E-07 5.66E-07 03/12/97 Yes Yes 2100 172 1061 C 10 H 7 70 91.5 328.75 51.37 3.19E-03 0 1.81E-07 -1.12E-07 4.32E-07 03/12/97 Yes Yes 2100 172 1061 C 10 H 7 75 91.55 121.96 83.79 1.70E-03 0 -1.03E-08 1.69E-08 2.93E-07 03/12/97 Yes Yes 2100 172 1061 C 11 H 1 0 91.3 144.63 -6.53 7.45E-04 0 -6.41E-08 4.65E-08 -1.47E-08 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 5 91.35 285.64 -32.23 9.95E-04 0 2.41E-08 -8.79E-08 -9.20E-08 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 10 91.4 333.53 3.97 1.73E-03 0 1.64E-07 -8.36E-08 2.08E-08 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 15 91.45 96.09 61.5 1.57E-03 0 -8.45E-09 8.10E-08 2.40E-07 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 20 91.5 104.83 60.07 1.97E-03 0 -2.67E-08 1.03E-07 2.96E-07 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 25 91.55 252.07 79.47 2.34E-03 0 -1.39E-08 -4.40E-08 3.98E-07 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 30 91.6 357.1 68.53 4.89E-03 0 1.90E-07 -9.83E-09 7.89E-07 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 35 91.65 279.58 53.83 9.65E-03 0 1.01E-07 -6.09E-07 1.35E-06 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 40 91.7 325.74 65.5 1.46E-02 0 5.32E-07 -3.71E-07 2.31E-06 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 45 91.75 324.24 51.83 2.66E-02 0 1.41E-06 -1.04E-06 3.62E-06 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 50 91.8 101.1 54.08 1.85E-02 0 -2.22E-07 1.16E-06 2.60E-06 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 55 91.85 71.5 72.89 5.61E-03 0 5.55E-08 1.70E-07 9.29E-07 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 60 91.9 336.32 59.64 4.00E-03 0 1.97E-07 -8.82E-08 5.99E-07 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 65 91.95 352.03 57.45 4.99E-03 0 2.82E-07 -4.04E-08 7.29E-07 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 70 92 30.84 69.64 4.53E-03 0 1.44E-07 8.76E-08 7.36E-07 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 75 92.05 14.24 73.12 4.13E-03 0 1.23E-07 3.20E-08 6.85E-07 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 80 92.1 346.95 70.19 3.60E-03 0 1.26E-07 -2.99E-08 5.87E-07 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 85 92.15 348.11 60.31 4.23E-03 0 2.18E-07 -4.69E-08 6.37E-07 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 90 92.2 339.72 67.36 4.47E-03 0 1.71E-07 -6.48E-08 7.16E-07 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 95 92.25 353.42 70.8 5.04E-03 0 1.75E-07 -2.06E-08 8.24E-07 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 100 92.3 6.93 72.19 4.97E-03 0 1.60E-07 1.99E-08 8.20E-07 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 105 92.35 347.54 64.62 5.15E-03 0 2.28E-07 -5.16E-08 8.06E-07 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 110 92.4 0.44 63.83 5.06E-03 0 2.37E-07 1.87E-09 7.87E-07 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 115 92.45 10.02 69.92 4.90E-03 0 1.76E-07 3.18E-08 7.98E-07 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 120 92.5 354.57 69.56 5.07E-03 0 1.87E-07 -1.82E-08 8.24E-07 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 125 92.55 347.66 55.84 6.44E-03 0 3.75E-07 -8.39E-08 9.24E-07 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 130 92.6 301.84 77.15 7.68E-03 0 9.56E-08 -1.57E-07 1.30E-06 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 135 92.65 204.11 55.28 7.33E-03 0 -4.04E-07 -1.85E-07 1.05E-06 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 140 92.7 131.55 80.36 8.84E-03 0 -1.04E-07 1.20E-07 1.51E-06 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 145 92.75 12.99 36.23 4.57E-02 0 3.81E-06 8.99E-07 4.69E-06 03/12/97 Yes Yes 2102 172 1061 C 11 H 1 150 92.8 346.86 72.26 4.92E-02 0 1.55E-06 -3.70E-07 8.13E-06 03/12/97 Yes Yes 2102 172 1061 C 11 H 2 0 92.8 355.69 53.32 2.19E-03 0 1.38E-07 -1.07E-08 3.04E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 5 92.85 343.39 60.58 4.34E-03 0 2.17E-07 -6.61E-08 6.55E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 10 92.9 2.2 71.13 4.33E-03 0 1.49E-07 5.84E-09 7.11E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 15 92.95 6.73 67.24 4.07E-03 0 1.66E-07 2.00E-08 6.51E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 20 93 352.87 67 3.76E-03 0 1.55E-07 -1.98E-08 6.00E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 25 93.05 351.75 65.23 3.62E-03 0 1.59E-07 -2.36E-08 5.69E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 30 93.1 359.67 64.23 3.63E-03 0 1.67E-07 -9.79E-10 5.67E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 35 93.15 351.95 64.41 3.69E-03 0 1.68E-07 -2.43E-08 5.78E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 40 93.2 332.88 59.85 4.36E-03 0 2.07E-07 -1.08E-07 6.54E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 45 93.25 5.2 75.74 4.24E-03 0 1.10E-07 1.03E-08 7.12E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 50 93.3 20.57 71.37 3.66E-03 0 1.16E-07 4.46E-08 6.02E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 55 93.35 351.79 66.6 3.69E-03 0 1.54E-07 -2.27E-08 5.88E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 60 93.4 336.46 60.39 4.29E-03 0 2.06E-07 -9.18E-08 6.46E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 65 93.45 339.78 70.6 4.92E-03 0 1.63E-07 -6.12E-08 8.04E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 70 93.5 0.95 80 4.40E-03 0 8.10E-08 1.38E-09 7.51E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 75 93.55 2.63 70.64 4.50E-03 0 1.58E-07 7.42E-09 7.37E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 80 93.6 352.55 61.21 5.21E-03 0 2.64E-07 -3.53E-08 7.92E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 85 93.65 337.69 69.68 5.34E-03 0 1.82E-07 -7.63E-08 8.68E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 90 93.7 15.08 82.92 3.80E-03 0 4.79E-08 1.32E-08 6.53E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 95 93.75 3.41 70.01 3.44E-03 0 1.25E-07 7.58E-09 5.61E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 100 93.8 346.22 67.82 3.43E-03 0 1.33E-07 -3.35E-08 5.51E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 105 93.85 352.51 67.81 3.41E-03 0 1.35E-07 -1.82E-08 5.47E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 110 93.9 337.56 67.42 3.42E-03 0 1.29E-07 -5.44E-08 5.47E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 115 93.95 353.67 71.8 3.48E-03 0 1.15E-07 -1.30E-08 5.73E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 120 94 341.31 71.46 3.19E-03 0 1.02E-07 -3.53E-08 5.25E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 125 94.05 328.81 69.51 3.15E-03 0 1.00E-07 -6.20E-08 5.12E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 130 94.1 333.39 72.75 3.04E-03 0 8.55E-08 -4.38E-08 5.03E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 135 94.15 337.8 68.05 3.44E-03 0 1.26E-07 -5.26E-08 5.52E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 140 94.2 352.3 70.47 3.87E-03 0 1.36E-07 -1.88E-08 6.32E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 145 94.25 15.6 70.58 3.73E-03 0 1.27E-07 3.62E-08 6.10E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 2 150 94.3 248.64 82.04 1.98E-03 0 -1.06E-08 -2.77E-08 3.40E-07 03/12/97 Yes Yes 2104 172 1061 C 11 H 3 0 94.3 358.5 54.99 2.45E-03 0 1.49E-07 -3.99E-09 3.47E-07 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 5 94.35 354.86 60.79 5.85E-03 0 3.02E-07 -2.77E-08 8.85E-07 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 10 94.4 348.88 66.41 7.17E-03 0 2.99E-07 -6.00E-08 1.14E-06 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 15 94.45 3 75.01 6.22E-03 0 1.70E-07 9.14E-09 1.04E-06 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 20 94.5 23.19 83.64 4.29E-03 0 4.63E-08 2.03E-08 7.39E-07 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 25 94.55 40.26 84.29 2.59E-03 0 2.09E-08 1.81E-08 4.47E-07 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 30 94.6 8.5 75.23 1.89E-03 0 5.06E-08 7.73E-09 3.17E-07 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 35 94.65 267.27 71.34 1.95E-03 0 -3.15E-09 -6.75E-08 3.20E-07 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 40 94.7 93.11 75.57 1.62E-03 0 -2.32E-09 4.36E-08 2.71E-07 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 45 94.75 27.3 75.51 1.57E-03 0 3.70E-08 1.95E-08 2.63E-07 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 50 94.8 356.08 49.86 3.38E-03 0 2.30E-07 -1.61E-08 4.47E-07 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 55 94.85 349.99 60.69 4.48E-03 0 2.29E-07 -4.14E-08 6.78E-07 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 60 94.9 1.51 72.02 4.56E-03 0 1.49E-07 4.03E-09 7.53E-07 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 65 94.95 38.85 82.79 3.19E-03 0 3.31E-08 2.73E-08 5.49E-07 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 70 95 337.51 72.61 2.72E-03 0 7.96E-08 -3.37E-08 4.50E-07 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 75 95.05 347.15 70.56 2.61E-03 0 8.98E-08 -2.09E-08 4.26E-07 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 80 95.1 0.25 71.83 2.48E-03 0 8.21E-08 3.67E-10 4.09E-07 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 85 95.15 358.04 67.52 2.54E-03 0 1.03E-07 -3.60E-09 4.06E-07 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 90 95.2 354.91 69.88 2.60E-03 0 9.46E-08 -8.61E-09 4.24E-07 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 95 95.25 349.89 72.09 2.41E-03 0 7.73E-08 -1.41E-08 3.97E-07 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 100 95.3 352.87 69.48 2.25E-03 0 8.30E-08 -1.06E-08 3.65E-07 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 105 95.35 350.64 67.29 2.13E-03 0 8.62E-08 -1.45E-08 3.41E-07 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 110 95.4 306.1 82.92 1.54E-03 0 1.19E-08 -1.66E-08 2.65E-07 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 115 95.45 338.07 67.46 1.27E-03 0 4.78E-08 -1.97E-08 2.03E-07 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 120 95.5 343.28 60.69 2.29E-03 0 1.14E-07 -3.50E-08 3.46E-07 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 125 95.55 349.41 68.43 2.53E-03 0 9.70E-08 -1.85E-08 4.08E-07 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 130 95.6 347.17 69.63 2.60E-03 0 9.37E-08 -2.18E-08 4.23E-07 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 135 95.65 342.37 69.18 2.61E-03 0 9.38E-08 -3.05E-08 4.23E-07 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 140 95.7 342.5 66.6 2.57E-03 0 1.03E-07 -3.33E-08 4.09E-07 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 145 95.75 344.95 62.93 2.56E-03 0 1.19E-07 -3.28E-08 3.95E-07 03/12/97 Yes Yes 2106 172 1061 C 11 H 3 150 95.8 6.92 80.7 1.56E-03 0 2.66E-08 3.30E-09 2.68E-07 03/12/97 Yes Yes 2106 172 1061 C 11 H 4 0 95.8 336.41 55.57 1.31E-03 0 7.19E-08 -3.21E-08 1.87E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 5 95.85 343.87 59.6 2.87E-03 0 1.48E-07 -4.38E-08 4.29E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 10 95.9 340.08 68.04 3.10E-03 0 1.15E-07 -4.28E-08 4.98E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 15 95.95 351.65 75.85 2.74E-03 0 7.03E-08 -1.06E-08 4.61E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 20 96 358.17 78.16 2.53E-03 0 5.50E-08 -1.80E-09 4.29E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 25 96.05 338.52 71.13 2.69E-03 0 8.60E-08 -3.46E-08 4.42E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 30 96.1 325.24 58.54 3.92E-03 0 1.78E-07 -1.26E-07 5.79E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 35 96.15 342.6 67.65 4.61E-03 0 1.78E-07 -5.69E-08 7.40E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 40 96.2 21.07 80.74 3.08E-03 0 4.90E-08 1.93E-08 5.27E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 45 96.25 348.61 85.13 1.63E-03 0 1.44E-08 -2.96E-09 2.81E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 50 96.3 327.82 81.18 1.15E-03 0 1.59E-08 -1.02E-08 1.97E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 55 96.35 346.03 75.12 1.10E-03 0 2.90E-08 -7.39E-09 1.84E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 60 96.4 347.06 68.8 1.26E-03 0 4.70E-08 -1.10E-08 2.03E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 65 96.45 350.31 69.57 1.30E-03 0 4.73E-08 -8.26E-09 2.10E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 70 96.5 357.23 81.17 1.19E-03 0 1.94E-08 -9.63E-10 2.05E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 75 96.55 210.34 87.52 9.40E-04 0 -3.72E-09 -2.23E-09 1.63E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 80 96.6 338.41 80.34 1.05E-03 0 1.74E-08 -7.04E-09 1.80E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 85 96.65 351.87 68.72 1.60E-03 0 6.08E-08 -8.88E-09 2.58E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 90 96.7 356.6 66.92 2.42E-03 0 1.00E-07 -6.09E-09 3.86E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 95 96.75 334.52 79.63 2.57E-03 0 4.43E-08 -2.16E-08 4.39E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 100 96.8 348.12 74.89 2.59E-03 0 7.01E-08 -1.51E-08 4.34E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 105 96.85 339.38 78.72 2.33E-03 0 4.53E-08 -1.74E-08 3.97E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 110 96.9 340.42 74.64 2.13E-03 0 5.62E-08 -2.05E-08 3.55E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 115 96.95 339.91 73.05 2.06E-03 0 5.98E-08 -2.24E-08 3.42E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 120 97 342.12 73.28 2.00E-03 0 5.82E-08 -1.92E-08 3.33E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 125 97.05 343.2 71.48 1.99E-03 0 6.41E-08 -1.98E-08 3.27E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 130 97.1 341.63 72.06 1.94E-03 0 6.03E-08 -2.05E-08 3.21E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 135 97.15 345.5 71.84 1.92E-03 0 6.16E-08 -1.63E-08 3.17E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 140 97.2 349.11 72.03 1.85E-03 0 5.94E-08 -1.17E-08 3.05E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 145 97.25 345.14 73.59 1.66E-03 0 4.80E-08 -1.30E-08 2.76E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 4 150 97.3 178.9 84.52 8.69E-04 0 -8.80E-09 1.72E-10 1.50E-07 03/12/97 Yes Yes 2108 172 1061 C 11 H 5 0 97.3 355.02 57.56 5.03E-04 0 2.85E-08 -2.54E-09 7.36E-08 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 5 97.35 352.47 73.02 1.01E-03 0 3.09E-08 -4.18E-09 1.67E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 10 97.4 348.8 74.84 1.30E-03 0 3.54E-08 -7.18E-09 2.18E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 15 97.45 353.12 68.09 1.86E-03 0 7.29E-08 -9.00E-09 2.99E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 20 97.5 355.52 69.23 2.39E-03 0 8.98E-08 -7.19E-09 3.88E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 25 97.55 355.68 75.85 2.41E-03 0 6.24E-08 -4.82E-09 4.06E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 30 97.6 344.77 78.22 2.08E-03 0 4.34E-08 -1.21E-08 3.53E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 35 97.65 345.68 75.51 1.86E-03 0 4.79E-08 -1.25E-08 3.13E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 40 97.7 344.7 72.03 1.92E-03 0 6.05E-08 -1.69E-08 3.16E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 45 97.75 348.18 72.62 2.01E-03 0 6.24E-08 -1.34E-08 3.33E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 50 97.8 348.77 71.78 2.00E-03 0 6.50E-08 -1.32E-08 3.29E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 55 97.85 343.76 73.84 1.97E-03 0 5.58E-08 -1.66E-08 3.28E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 60 97.9 352.8 72.21 1.98E-03 0 6.38E-08 -8.24E-09 3.27E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 65 97.95 348.47 72.9 2.06E-03 0 6.30E-08 -1.31E-08 3.42E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 70 98 347.99 74.64 2.07E-03 0 5.69E-08 -1.24E-08 3.46E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 75 98.05 352.24 73.21 1.97E-03 0 5.97E-08 -8.32E-09 3.26E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 80 98.1 332.34 67.51 2.09E-03 0 7.50E-08 -4.02E-08 3.34E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 85 98.15 325.49 74.33 1.98E-03 0 4.68E-08 -3.29E-08 3.31E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 90 98.2 354.92 73.77 1.90E-03 0 5.62E-08 -5.11E-09 3.17E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 95 98.25 355.85 71.95 1.98E-03 0 6.50E-08 -4.82E-09 3.27E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 100 98.3 6.4 73.01 2.11E-03 0 6.50E-08 7.45E-09 3.50E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 105 98.35 356.48 70.7 2.17E-03 0 7.58E-08 -4.76E-09 3.54E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 110 98.4 359.38 69.51 2.21E-03 0 8.19E-08 -9.09E-10 3.58E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 115 98.45 0.24 67.6 2.41E-03 0 9.72E-08 4.13E-10 3.86E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 120 98.5 0.37 67.48 2.68E-03 0 1.09E-07 7.25E-10 4.29E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 125 98.55 353.3 69.41 2.78E-03 0 1.03E-07 -1.24E-08 4.52E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 130 98.6 353.07 72.78 2.67E-03 0 8.32E-08 -1.03E-08 4.42E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 135 98.65 358.5 72.1 2.48E-03 0 8.08E-08 -2.16E-09 4.09E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 140 98.7 356.67 71 2.37E-03 0 8.17E-08 -4.86E-09 3.88E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 145 98.75 346.76 73.07 2.06E-03 0 6.20E-08 -1.49E-08 3.42E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 5 150 98.8 17.94 87.81 1.24E-03 0 4.78E-09 1.58E-09 2.15E-07 03/12/97 Yes Yes 2110 172 1061 C 11 H 6 0 98.8 346.14 57.95 1.80E-03 0 9.81E-08 -2.48E-08 2.64E-07 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 5 98.85 346.11 59.16 5.50E-03 0 2.91E-07 -7.35E-08 8.19E-07 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 10 98.9 351.83 64.94 7.61E-03 0 3.38E-07 -4.96E-08 1.19E-06 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 15 98.95 357.65 73.16 6.75E-03 0 2.07E-07 -8.72E-09 1.12E-06 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 20 99 13.01 82.24 4.75E-03 0 6.62E-08 1.57E-08 8.16E-07 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 25 99.05 25.25 83.75 3.24E-03 0 3.39E-08 1.63E-08 5.59E-07 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 30 99.1 354.24 77.03 3.04E-03 0 7.20E-08 -7.42E-09 5.14E-07 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 35 99.15 350.41 73.88 3.07E-03 0 8.92E-08 -1.54E-08 5.12E-07 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 40 99.2 345.11 71.52 3.07E-03 0 9.99E-08 -2.72E-08 5.05E-07 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 45 99.25 356.81 76.74 2.74E-03 0 6.65E-08 -3.79E-09 4.62E-07 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 50 99.3 14.04 81.95 2.04E-03 0 2.94E-08 7.51E-09 3.50E-07 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 55 99.35 328.86 77.83 1.66E-03 0 3.18E-08 -1.96E-08 2.81E-07 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 60 99.4 342.82 78.08 1.53E-03 0 3.21E-08 -1.02E-08 2.60E-07 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 65 99.45 339.72 75.11 1.57E-03 0 4.00E-08 -1.51E-08 2.62E-07 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 70 99.5 17.62 71.07 1.78E-03 0 5.83E-08 1.89E-08 2.91E-07 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 75 99.55 344.06 77.55 1.93E-03 0 4.24E-08 -1.24E-08 3.26E-07 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 80 99.6 336.73 74.5 2.08E-03 0 5.42E-08 -2.39E-08 3.48E-07 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 85 99.65 343.91 73.98 2.53E-03 0 7.13E-08 -2.10E-08 4.22E-07 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 90 99.7 347.61 72.66 3.24E-03 0 1.00E-07 -2.25E-08 5.36E-07 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 95 99.75 355.92 73.82 3.64E-03 0 1.07E-07 -7.81E-09 6.06E-07 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 100 99.8 353.55 70.75 3.83E-03 0 1.33E-07 -1.54E-08 6.28E-07 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 105 99.85 350.99 69.93 4.36E-03 0 1.57E-07 -2.54E-08 7.10E-07 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 110 99.9 0.8 67.74 4.58E-03 0 1.84E-07 2.62E-09 7.35E-07 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 115 99.95 10.75 72.44 4.00E-03 0 1.26E-07 2.44E-08 6.61E-07 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 120 100 335.99 79.01 2.84E-03 0 5.24E-08 -2.39E-08 4.83E-07 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 125 100.05 347.66 70.72 2.68E-03 0 9.18E-08 -2.05E-08 4.39E-07 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 130 100.1 344.78 73.35 2.31E-03 0 6.78E-08 -1.89E-08 3.84E-07 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 135 100.15 340.11 74.35 1.72E-03 0 4.64E-08 -1.72E-08 2.88E-07 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 140 100.2 352.91 68.59 1.46E-03 0 5.60E-08 -7.13E-09 2.35E-07 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 145 100.25 2.08 59.05 1.52E-03 0 8.27E-08 3.07E-09 2.26E-07 03/12/97 Yes Yes 2112 172 1061 C 11 H 6 150 100.3 4.14 76.55 9.58E-04 0 2.36E-08 1.75E-09 1.62E-07 03/12/97 Yes Yes 2112 172 1061 C 11 H 7 0 100.3 354.28 65.1 6.61E-04 0 2.94E-08 -3.01E-09 1.04E-07 03/12/97 Yes Yes 2114 172 1061 C 11 H 7 5 100.35 2.2 79.67 1.49E-03 0 2.84E-08 1.11E-09 2.55E-07 03/12/97 Yes Yes 2114 172 1061 C 11 H 7 10 100.4 352.78 67.05 2.84E-03 0 1.17E-07 -1.51E-08 4.54E-07 03/12/97 Yes Yes 2114 172 1061 C 11 H 7 15 100.45 335.45 62.12 6.30E-03 0 2.84E-07 -1.33E-07 9.66E-07 03/12/97 Yes Yes 2114 172 1061 C 11 H 7 20 100.5 339.67 58.59 1.09E-02 0 5.66E-07 -2.14E-07 1.61E-06 03/12/97 Yes Yes 2114 172 1061 C 11 H 7 25 100.55 354.88 67.66 1.27E-02 0 5.11E-07 -4.68E-08 2.04E-06 03/12/97 Yes Yes 2114 172 1061 C 11 H 7 30 100.6 3.18 80.47 8.67E-03 0 1.52E-07 8.63E-09 1.48E-06 03/12/97 Yes Yes 2114 172 1061 C 11 H 7 35 100.65 290.09 84.91 5.11E-03 0 1.65E-08 -4.62E-08 8.83E-07 03/12/97 Yes Yes 2114 172 1061 C 11 H 7 40 100.7 348.56 63.09 5.74E-03 0 2.70E-07 -5.59E-08 8.87E-07 03/12/97 Yes Yes 2114 172 1061 C 11 H 7 45 100.75 347.88 55.88 9.33E-03 0 5.43E-07 -1.19E-07 1.34E-06 03/12/97 Yes Yes 2114 172 1061 C 11 H 7 50 100.8 345.74 62.12 1.36E-02 0 6.55E-07 -1.70E-07 2.09E-06 03/12/97 Yes Yes 2114 172 1061 C 11 H 7 55 100.85 295.47 86.82 1.29E-02 0 3.25E-08 -6.98E-08 2.23E-06 03/12/97 Yes Yes 2114 172 1061 C 11 H 7 60 100.9 353.44 82.66 8.24E-03 0 1.11E-07 -1.30E-08 1.42E-06 03/12/97 Yes Yes 2114 172 1061 C 11 H 7 65 100.95 351.92 52.71 7.57E-03 0 4.82E-07 -6.99E-08 1.04E-06 03/12/97 Yes Yes 2114 172 1061 C 12 H 1 0 100.8 251.11 -39.86 7.97E-03 0 -2.10E-07 -6.28E-07 -8.86E-07 03/12/97 Yes Yes 2116 172 1061 C 12 H 1 5 100.85 327.94 8.3 1.37E-02 0 1.22E-06 -7.82E-07 3.43E-07 03/12/97 Yes Yes 2116 172 1061 C 12 H 1 10 100.9 343.33 42.14 2.82E-02 0 2.13E-06 -6.51E-07 3.28E-06 03/12/97 Yes Yes 2116 172 1061 C 12 H 1 15 100.95 345.11 49.19 3.30E-02 0 2.21E-06 -6.00E-07 4.33E-06 03/12/97 Yes Yes 2116 172 1061 C 12 H 1 20 101 331.84 50.82 3.55E-02 0 2.10E-06 -1.15E-06 4.77E-06 03/12/97 Yes Yes 2116 172 1061 C 12 H 1 25 101.05 325.88 60.18 3.21E-02 0 1.40E-06 -9.71E-07 4.83E-06 03/12/97 Yes Yes 2116 172 1061 C 12 H 1 30 101.1 343.35 60.42 2.92E-02 0 1.46E-06 -4.48E-07 4.40E-06 03/12/97 Yes Yes 2116 172 1061 C 12 H 1 35 101.15 0 61.49 2.92E-02 0 1.48E-06 9.89E-11 4.44E-06 03/12/97 Yes Yes 2116 172 1061 C 12 H 1 40 101.2 306.4 59.8 2.35E-02 0 7.44E-07 -1.03E-06 3.52E-06 03/12/97 Yes Yes 2116 172 1061 C 12 H 1 45 101.25 10.82 70.84 1.38E-02 0 4.73E-07 9.25E-08 2.27E-06 03/12/97 Yes Yes 2116 172 1061 C 12 H 1 50 101.3 339.4 67 1.73E-02 0 6.71E-07 -2.58E-07 2.76E-06 03/12/97 Yes Yes 2116 172 1061 C 12 H 1 55 101.35 307.6 57.3 1.23E-02 0 4.32E-07 -5.73E-07 1.80E-06 03/12/97 Yes Yes 2116 172 1061 C 12 H 1 60 101.4 342.69 73.51 7.26E-03 0 2.09E-07 -6.65E-08 1.21E-06 03/12/97 Yes Yes 2116 172 1061 C 12 H 1 65 101.45 336.77 80.38 4.90E-03 0 7.99E-08 -3.50E-08 8.38E-07 03/12/97 Yes Yes 2116 172 1061 C 12 H 1 70 101.5 347.85 58.63 6.75E-03 0 3.64E-07 -8.02E-08 9.99E-07 03/12/97 Yes Yes 2116 172 1061 C 12 H 1 75 101.55 345.34 56.76 1.42E-02 0 7.99E-07 -2.14E-07 2.06E-06 03/12/97 Yes Yes 2116 172 1061 C 12 H 1 80 101.6 346.82 55.7 2.52E-02 0 1.47E-06 -3.51E-07 3.61E-06 03/12/97 Yes Yes 2116 172 1061 C 12 H 1 85 101.65 340.09 50.88 3.19E-02 0 2.01E-06 -7.44E-07 4.30E-06 03/12/97 Yes Yes 2116 172 1061 C 12 H 1 90 101.7 335.66 51.07 3.51E-02 0 2.13E-06 -9.87E-07 4.74E-06 03/12/97 Yes Yes 2116 172 1061 C 12 H 1 95 101.75 345.56 55.07 3.27E-02 0 1.92E-06 -5.06E-07 4.65E-06 03/12/97 Yes Yes 2116 172 1061 C 12 H 1 100 101.8 346.35 57.79 3.10E-02 0 1.70E-06 -4.23E-07 4.55E-06 03/12/97 Yes Yes 2116 172 1061 C 12 H 1 105 101.85 343.63 56 2.91E-02 0 1.66E-06 -4.98E-07 4.19E-06 03/12/97 Yes Yes 2116 172 1061 C 12 H 1 110 101.9 355.77 52.39 2.96E-02 0 1.91E-06 -1.45E-07 4.07E-06 03/12/97 Yes Yes 2116 172 1061 C 12 H 1 115 101.95 11.39 40.4 4.42E-02 0 3.50E-06 7.21E-07 4.96E-06 03/12/97 Yes Yes 2116 172 1061 C 12 H 1 120 102 327.3 60.55 2.97E-02 0 1.30E-06 -8.57E-07 4.49E-06 03/12/97 Yes Yes 2116 172 1061 C 12 H 1 125 102.05 331.33 58.28 2.30E-02 0 1.12E-06 -6.28E-07 3.39E-06 03/12/97 Yes Yes 2116 172 1061 C 12 H 1 130 102.1 346.87 46.48 3.61E-02 0 2.57E-06 -6.13E-07 4.54E-06 03/12/97 Yes Yes 2116 172 1061 C 12 H 1 135 102.15 348.06 58.99 3.78E-02 0 2.02E-06 -4.37E-07 5.62E-06 03/12/97 Yes Yes 2116 172 1061 C 12 H 1 140 102.2 24.5 79.76 3.04E-02 0 5.22E-07 2.44E-07 5.19E-06 03/12/97 Yes Yes 2116 172 1061 C 12 H 1 145 102.25 333.51 58.62 3.75E-02 0 1.85E-06 -9.44E-07 5.54E-06 03/12/97 Yes Yes 2116 172 1061 C 12 H 2 0 102.3 342.76 44.55 8.63E-03 0 6.23E-07 -1.98E-07 1.05E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 2 5 102.35 337.95 50.82 1.72E-02 0 1.07E-06 -4.43E-07 2.31E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 2 10 102.4 333.76 56.2 1.44E-02 0 7.63E-07 -3.84E-07 2.08E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 2 15 102.45 339.71 56.45 1.33E-02 0 7.34E-07 -2.77E-07 1.93E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 2 20 102.5 339.67 57.79 1.43E-02 0 7.57E-07 -2.87E-07 2.09E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 2 25 102.55 336.96 59 1.54E-02 0 7.76E-07 -3.38E-07 2.30E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 2 30 102.6 349.24 59.53 1.54E-02 0 8.14E-07 -1.58E-07 2.30E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 2 35 102.65 337.57 46.26 2.52E-02 0 1.71E-06 -7.22E-07 3.16E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 2 40 102.7 340.65 41.39 4.36E-02 0 3.28E-06 -1.18E-06 5.00E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 2 45 102.75 343.66 56.03 2.77E-02 0 1.58E-06 -4.72E-07 3.98E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 2 50 102.8 338.97 55.14 1.68E-02 0 9.50E-07 -3.74E-07 2.39E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 2 55 102.85 337.29 47.53 1.67E-02 0 1.11E-06 -4.73E-07 2.14E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 2 60 102.9 343.25 47.22 1.51E-02 0 1.04E-06 -3.21E-07 1.93E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 2 65 102.95 340.63 43.53 1.65E-02 0 1.20E-06 -4.31E-07 1.97E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 2 70 103 340.38 45.23 1.79E-02 0 1.26E-06 -4.59E-07 2.20E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 2 75 103.05 340.3 46.04 1.96E-02 0 1.36E-06 -4.97E-07 2.44E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 2 80 103.1 338.84 48.11 1.97E-02 0 1.30E-06 -5.15E-07 2.54E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 2 85 103.15 342.77 51.41 1.78E-02 0 1.12E-06 -3.57E-07 2.41E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 2 90 103.2 342.7 47.95 1.88E-02 0 1.27E-06 -4.06E-07 2.42E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 2 95 103.25 332.44 53.12 1.79E-02 0 1.01E-06 -5.40E-07 2.49E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 2 100 103.3 332.79 64.06 1.47E-02 0 6.05E-07 -3.18E-07 2.29E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 2 105 103.35 344.6 67.23 1.33E-02 0 5.27E-07 -1.49E-07 2.13E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 2 110 103.4 344.34 62.54 1.63E-02 0 7.66E-07 -2.20E-07 2.50E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 2 115 103.45 334.38 49.33 2.57E-02 0 1.60E-06 -7.85E-07 3.38E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 2 120 103.5 335.03 51.17 3.35E-02 0 2.02E-06 -9.63E-07 4.53E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 2 125 103.55 340.87 58.58 3.11E-02 0 1.62E-06 -5.76E-07 4.60E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 2 130 103.6 341.41 50.08 3.67E-02 0 2.37E-06 -8.14E-07 4.88E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 2 135 103.65 346.62 51.18 3.98E-02 0 2.57E-06 -6.26E-07 5.38E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 2 140 103.7 354.61 48.61 4.37E-02 0 3.05E-06 -2.94E-07 5.68E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 2 145 103.75 351.01 54.51 3.70E-02 0 2.25E-06 -3.64E-07 5.22E-06 03/12/97 Yes Yes 2118 172 1061 C 12 H 3 0 103.8 352.06 47.23 2.06E-02 0 1.47E-06 -2.10E-07 2.63E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 5 103.85 349.38 52.91 4.18E-02 0 2.62E-06 -5.03E-07 5.77E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 10 103.9 343.26 61.19 4.21E-02 0 2.06E-06 -6.34E-07 6.40E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 15 103.95 344.78 60.85 4.16E-02 0 2.07E-06 -5.77E-07 6.30E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 20 104 344.82 62.78 3.78E-02 0 1.77E-06 -4.91E-07 5.83E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 25 104.05 338.72 59.9 3.09E-02 0 1.53E-06 -6.09E-07 4.63E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 30 104.1 340.66 59.35 3.13E-02 0 1.59E-06 -5.72E-07 4.66E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 35 104.15 341.31 53.32 3.68E-02 0 2.21E-06 -7.64E-07 5.12E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 40 104.2 338.87 59.91 3.76E-02 0 1.86E-06 -7.36E-07 5.64E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 45 104.25 338.15 56.99 3.78E-02 0 2.03E-06 -8.30E-07 5.49E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 50 104.3 338.87 58.79 3.80E-02 0 1.95E-06 -7.70E-07 5.63E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 55 104.35 349.95 58 3.90E-02 0 2.16E-06 -3.91E-07 5.74E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 60 104.4 354.42 61.14 3.53E-02 0 1.80E-06 -1.80E-07 5.36E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 65 104.45 355.8 56.4 3.99E-02 0 2.34E-06 -1.76E-07 5.77E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 70 104.5 0.81 56.74 4.83E-02 0 2.81E-06 4.08E-08 7.00E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 75 104.55 338.97 65.33 4.34E-02 0 1.80E-06 -7.06E-07 6.84E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 80 104.6 333.09 66.06 3.86E-02 0 1.48E-06 -7.68E-07 6.11E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 85 104.65 330.46 63.55 3.85E-02 0 1.58E-06 -9.17E-07 5.98E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 90 104.7 329.78 68.13 3.65E-02 0 1.25E-06 -7.43E-07 5.87E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 95 104.75 341 63.39 3.55E-02 0 1.59E-06 -5.61E-07 5.50E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 100 104.8 354.12 60.09 3.40E-02 0 1.79E-06 -1.88E-07 5.11E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 105 104.85 358.34 58.25 2.97E-02 0 1.65E-06 -4.90E-08 4.37E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 110 104.9 357.14 61.3 2.47E-02 0 1.26E-06 -6.42E-08 3.76E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 115 104.95 346.42 64.17 2.17E-02 0 9.75E-07 -2.41E-07 3.39E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 120 105 327.16 74.19 1.61E-02 0 3.91E-07 -2.58E-07 2.69E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 125 105.05 340.83 68.82 1.18E-02 0 4.29E-07 -1.52E-07 1.91E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 130 105.1 345.75 71.79 1.15E-02 0 3.68E-07 -9.56E-08 1.89E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 135 105.15 63.16 83.02 7.87E-03 0 4.58E-08 9.26E-08 1.35E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 140 105.2 357.24 59.95 6.88E-03 0 3.65E-07 -1.80E-08 1.03E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 145 105.25 333.65 47.31 1.17E-02 0 7.55E-07 -3.83E-07 1.49E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 3 150 105.3 353.17 74.12 8.29E-03 0 2.39E-07 -2.93E-08 1.38E-06 03/12/97 Yes Yes 2120 172 1061 C 12 H 4 0 105.3 348.14 52.93 4.93E-03 0 3.08E-07 -6.62E-08 6.82E-07 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 5 105.35 341.78 54.65 1.17E-02 0 6.84E-07 -2.30E-07 1.66E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 10 105.4 338.94 61.76 1.43E-02 0 6.72E-07 -2.65E-07 2.19E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 15 105.45 358.15 76.64 1.10E-02 0 2.68E-07 -8.84E-09 1.85E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 20 105.5 336.71 67.88 1.01E-02 0 3.70E-07 -1.63E-07 1.62E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 25 105.55 335.94 67.31 1.12E-02 0 4.20E-07 -1.92E-07 1.80E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 30 105.6 345.75 69.86 1.21E-02 0 4.28E-07 -1.11E-07 1.97E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 35 105.65 348.98 64.6 1.44E-02 0 6.45E-07 -1.28E-07 2.26E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 40 105.7 350.43 67.48 1.49E-02 0 5.98E-07 -1.03E-07 2.39E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 45 105.75 353.5 63.38 1.47E-02 0 6.96E-07 -8.10E-08 2.28E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 50 105.8 352.46 67 1.39E-02 0 5.70E-07 -7.72E-08 2.21E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 55 105.85 353.61 71.24 1.04E-02 0 3.54E-07 -4.05E-08 1.71E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 60 105.9 347.84 66.24 9.88E-03 0 4.13E-07 -9.09E-08 1.57E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 65 105.95 341.67 74.72 9.46E-03 0 2.51E-07 -8.51E-08 1.58E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 70 106 323.91 57.94 1.32E-02 0 6.02E-07 -4.49E-07 1.94E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 75 106.05 343.89 61.94 1.77E-02 0 8.49E-07 -2.51E-07 2.71E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 80 106.1 10.04 71.63 1.49E-02 0 4.90E-07 8.87E-08 2.45E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 85 106.15 340.04 69.19 1.47E-02 0 5.20E-07 -1.93E-07 2.38E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 90 106.2 351.61 63.3 1.71E-02 0 8.08E-07 -1.22E-07 2.65E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 95 106.25 347.49 59.68 2.27E-02 0 1.19E-06 -2.69E-07 3.40E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 100 106.3 336.96 59.56 2.84E-02 0 1.40E-06 -6.10E-07 4.24E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 105 106.35 345.49 65.05 3.40E-02 0 1.47E-06 -3.89E-07 5.34E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 110 106.4 336.52 78.17 2.66E-02 0 5.31E-07 -2.36E-07 4.52E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 115 106.45 304.23 85.98 1.67E-02 0 7.00E-08 -1.05E-07 2.89E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 120 106.5 331.86 74.34 1.46E-02 0 3.68E-07 -2.01E-07 2.43E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 125 106.55 337.7 65.39 1.85E-02 0 7.56E-07 -3.17E-07 2.92E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 130 106.6 342.14 68.21 2.25E-02 0 8.44E-07 -2.78E-07 3.63E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 135 106.65 342.24 75.99 2.21E-02 0 5.40E-07 -1.77E-07 3.72E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 140 106.7 326.66 73.02 2.11E-02 0 5.46E-07 -3.67E-07 3.50E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 145 106.75 330.24 67.02 2.26E-02 0 8.12E-07 -4.75E-07 3.61E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 4 150 106.8 34.1 84.93 1.45E-02 0 1.12E-07 7.77E-08 2.50E-06 03/12/97 Yes Yes 2122 172 1061 C 12 H 5 0 106.8 335.32 51.5 7.50E-03 0 4.50E-07 -2.12E-07 1.02E-06 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 5 106.85 328.41 63.66 1.50E-02 0 6.02E-07 -3.78E-07 2.33E-06 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 10 106.9 342.85 74.29 1.52E-02 0 4.18E-07 -1.32E-07 2.54E-06 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 15 106.95 343.62 73.21 1.39E-02 0 4.08E-07 -1.23E-07 2.31E-06 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 20 107 356.46 68.22 1.40E-02 0 5.50E-07 -3.48E-08 2.26E-06 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 25 107.05 340.67 69.26 1.53E-02 0 5.44E-07 -1.95E-07 2.49E-06 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 30 107.1 340.5 71.11 1.48E-02 0 4.78E-07 -1.73E-07 2.42E-06 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 35 107.15 335.16 69.64 1.46E-02 0 4.88E-07 -2.31E-07 2.37E-06 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 40 107.2 341.71 71.32 1.46E-02 0 4.71E-07 -1.59E-07 2.40E-06 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 45 107.25 338.22 69.5 1.44E-02 0 4.97E-07 -2.03E-07 2.34E-06 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 50 107.3 336.18 67.01 1.61E-02 0 6.11E-07 -2.76E-07 2.57E-06 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 55 107.35 338.13 61.37 1.94E-02 0 9.13E-07 -3.75E-07 2.95E-06 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 60 107.4 346.47 59.79 2.19E-02 0 1.14E-06 -2.80E-07 3.28E-06 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 65 107.45 354.38 63.24 2.14E-02 0 1.02E-06 -1.02E-07 3.31E-06 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 70 107.5 334.53 65.89 1.99E-02 0 7.79E-07 -3.80E-07 3.15E-06 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 75 107.55 340.26 67.82 1.67E-02 0 6.29E-07 -2.31E-07 2.68E-06 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 80 107.6 348.96 72.32 1.39E-02 0 4.40E-07 -8.78E-08 2.30E-06 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 85 107.65 29.04 82.37 7.63E-03 0 9.39E-08 5.33E-08 1.31E-06 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 90 107.7 3.18 80.46 4.07E-03 0 7.14E-08 4.06E-09 6.96E-07 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 95 107.75 351.04 68.74 3.19E-03 0 1.21E-07 -1.95E-08 5.15E-07 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 100 107.8 346.06 54.67 4.34E-03 0 2.58E-07 -6.55E-08 6.13E-07 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 105 107.85 347.5 63.32 4.05E-03 0 1.88E-07 -4.27E-08 6.28E-07 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 110 107.9 2.18 68.38 3.12E-03 0 1.22E-07 4.76E-09 5.04E-07 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 115 107.95 341.05 69.87 3.04E-03 0 1.05E-07 -3.68E-08 4.94E-07 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 120 108 338.66 63.43 3.52E-03 0 1.55E-07 -6.21E-08 5.45E-07 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 125 108.05 0.79 60.54 3.12E-03 0 1.63E-07 2.29E-09 4.70E-07 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 130 108.1 338.99 57.6 2.94E-03 0 1.56E-07 -6.12E-08 4.30E-07 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 135 108.15 339.47 57.1 2.66E-03 0 1.44E-07 -5.50E-08 3.88E-07 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 140 108.2 10.71 60.13 2.19E-03 0 1.14E-07 2.20E-08 3.30E-07 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 145 108.25 348.51 57.83 2.06E-03 0 1.14E-07 -2.37E-08 3.03E-07 03/12/97 Yes Yes 2124 172 1061 C 12 H 5 150 108.3 324.57 71.19 1.09E-03 0 3.04E-08 -2.21E-08 1.79E-07 03/12/97 Yes Yes 2124 172 1061 C 12 H 6 0 108.3 341.39 38.17 1.12E-03 0 8.84E-08 -3.04E-08 1.20E-07 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 5 108.35 349.59 47.72 2.05E-03 0 1.44E-07 -2.70E-08 2.63E-07 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 10 108.4 353.15 56.91 2.10E-03 0 1.21E-07 -1.48E-08 3.05E-07 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 15 108.45 330.36 65.85 2.10E-03 0 7.94E-08 -4.62E-08 3.33E-07 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 20 108.5 334.81 63.34 1.77E-03 0 7.60E-08 -3.66E-08 2.73E-07 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 25 108.55 344.79 65.33 1.50E-03 0 6.39E-08 -1.78E-08 2.36E-07 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 30 108.6 337.2 72.14 1.33E-03 0 3.97E-08 -1.71E-08 2.19E-07 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 35 108.65 19.48 76.31 1.20E-03 0 2.85E-08 1.03E-08 2.03E-07 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 40 108.7 12.23 78.98 1.02E-03 0 2.02E-08 4.48E-09 1.74E-07 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 45 108.75 347.53 69.37 1.11E-03 0 4.06E-08 -9.17E-09 1.80E-07 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 50 108.8 1.23 69.78 1.31E-03 0 4.80E-08 1.06E-09 2.13E-07 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 55 108.85 2.84 66.28 1.50E-03 0 6.39E-08 3.24E-09 2.38E-07 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 60 108.9 340.59 65.85 1.79E-03 0 7.33E-08 -2.64E-08 2.83E-07 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 65 108.95 353.63 61.27 2.01E-03 0 1.02E-07 -1.16E-08 3.06E-07 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 70 109 354.04 51.78 2.44E-03 0 1.59E-07 -1.70E-08 3.33E-07 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 75 109.05 344.26 58.69 2.11E-03 0 1.12E-07 -3.23E-08 3.13E-07 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 80 109.1 350.26 64.68 1.56E-03 0 6.99E-08 -1.23E-08 2.45E-07 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 85 109.15 351.37 64.14 1.38E-03 0 6.33E-08 -9.83E-09 2.16E-07 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 90 109.2 16.42 71.15 1.15E-03 0 3.78E-08 1.14E-08 1.89E-07 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 95 109.25 12.69 79.82 9.95E-04 0 1.82E-08 4.19E-09 1.70E-07 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 100 109.3 10.27 76.07 9.80E-04 0 2.46E-08 4.56E-09 1.65E-07 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 105 109.35 178.31 85.19 1.01E-03 0 -8.95E-09 2.69E-10 1.74E-07 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 110 109.4 167.46 43.26 1.57E-03 0 -1.18E-07 2.69E-08 1.87E-07 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 115 109.45 150.8 40.37 3.13E-03 0 -2.21E-07 1.26E-07 3.51E-07 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 120 109.5 9.35 52.62 1.01E-02 0 6.42E-07 1.08E-07 1.39E-06 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 125 109.55 323.38 49.52 2.72E-02 0 1.50E-06 -1.14E-06 3.58E-06 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 130 109.6 343.6 51.63 2.40E-02 0 1.51E-06 -4.56E-07 3.26E-06 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 135 109.65 321.54 22.89 4.92E-02 0 3.77E-06 -3.06E-06 3.32E-06 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 140 109.7 351.84 55.92 1.99E-02 0 1.17E-06 -1.72E-07 2.86E-06 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 145 109.75 43.34 72.33 8.51E-03 0 1.99E-07 1.92E-07 1.41E-06 03/12/97 Yes Yes 2126 172 1061 C 12 H 6 150 109.8 321.43 67.27 6.02E-03 0 1.93E-07 -1.57E-07 9.62E-07 03/12/97 Yes Yes 2126 172 1061 C 12 H 7 0 109.8 338.38 34.12 1.72E-03 0 1.41E-07 -5.70E-08 1.68E-07 03/12/97 Yes Yes 2128 172 1061 C 12 H 7 5 109.85 344.49 53.05 2.96E-03 0 1.82E-07 -5.16E-08 4.10E-07 03/12/97 Yes Yes 2128 172 1061 C 12 H 7 10 109.9 349.9 68.39 2.73E-03 0 1.05E-07 -1.92E-08 4.41E-07 03/12/97 Yes Yes 2128 172 1061 C 12 H 7 15 109.95 329.78 56.85 3.34E-03 0 1.67E-07 -9.97E-08 4.85E-07 03/12/97 Yes Yes 2128 172 1061 C 12 H 7 20 110 337.9 64.93 4.23E-03 0 1.76E-07 -7.31E-08 6.64E-07 03/12/97 Yes Yes 2128 172 1061 C 12 H 7 25 110.05 36.07 64 3.41E-03 0 1.28E-07 9.55E-08 5.32E-07 03/12/97 Yes Yes 2128 172 1061 C 12 H 7 30 110.1 344.14 65.1 2.90E-03 0 1.25E-07 -3.62E-08 4.56E-07 03/12/97 Yes Yes 2128 172 1061 C 12 H 7 35 110.15 355.52 65.99 2.98E-03 0 1.28E-07 -1.03E-08 4.72E-07 03/12/97 Yes Yes 2128 172 1061 C 12 H 7 40 110.2 338.04 65.49 3.22E-03 0 1.32E-07 -5.42E-08 5.08E-07 03/12/97 Yes Yes 2128 172 1061 C 12 H 7 45 110.25 342.05 68.11 3.14E-03 0 1.18E-07 -3.91E-08 5.05E-07 03/12/97 Yes Yes 2128 172 1061 C 12 H 7 50 110.3 350.7 66.06 3.15E-03 0 1.34E-07 -2.24E-08 4.99E-07 03/12/97 Yes Yes 2128 172 1061 C 12 H 7 55 110.35 353.17 64.92 3.58E-03 0 1.60E-07 -1.96E-08 5.62E-07 03/12/97 Yes Yes 2128 172 1061 C 12 H 7 60 110.4 356.54 61.3 4.43E-03 0 2.25E-07 -1.39E-08 6.74E-07 03/12/97 Yes Yes 2128 172 1061 C 12 H 7 65 110.45 351.98 72.84 5.18E-03 0 1.60E-07 -2.31E-08 8.57E-07 03/12/97 Yes Yes 2128 172 1061 C 12 H 7 70 110.5 271.95 85.33 3.05E-03 0 8.93E-10 -2.69E-08 5.26E-07 03/12/97 Yes Yes 2128 172 1061 C 12 H 7 75 110.55 346.79 50.95 2.60E-03 0 1.69E-07 -4.07E-08 3.51E-07 03/12/97 Yes Yes 2128 172 1061 C 12 H 7 80 110.6 334.67 42.23 2.79E-03 0 1.98E-07 -9.57E-08 3.25E-07 03/12/97 Yes Yes 2128 172 1061 C 13 H 1 0 110.3 334.78 56.78 2.26E-03 0 1.19E-07 -5.73E-08 3.28E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 1 5 110.35 333.28 63.72 3.77E-03 0 1.58E-07 -8.13E-08 5.85E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 1 10 110.4 324.62 70.39 3.90E-03 0 1.13E-07 -8.22E-08 6.37E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 1 15 110.45 349.74 73.54 3.71E-03 0 1.10E-07 -2.03E-08 6.16E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 1 20 110.5 344.63 68.01 3.63E-03 0 1.39E-07 -3.91E-08 5.84E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 1 25 110.55 338.62 65.83 3.82E-03 0 1.55E-07 -6.19E-08 6.05E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 1 30 110.6 329.2 67.32 3.78E-03 0 1.33E-07 -8.11E-08 6.05E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 1 35 110.65 344.59 70.35 3.65E-03 0 1.26E-07 -3.54E-08 5.96E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 1 40 110.7 356.79 63.87 3.77E-03 0 1.76E-07 -1.01E-08 5.87E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 1 45 110.75 339.12 66.85 3.90E-03 0 1.52E-07 -5.93E-08 6.22E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 1 50 110.8 337.02 65.62 4.00E-03 0 1.61E-07 -7.00E-08 6.32E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 1 55 110.85 343.6 65.46 4.09E-03 0 1.73E-07 -5.21E-08 6.46E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 1 60 110.9 343.42 68.03 3.87E-03 0 1.47E-07 -4.48E-08 6.22E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 1 65 110.95 330.72 67.74 3.99E-03 0 1.40E-07 -8.02E-08 6.40E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 1 70 111 325.35 63.61 4.45E-03 0 1.73E-07 -1.22E-07 6.92E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 1 75 111.05 340.1 64 5.64E-03 0 2.46E-07 -9.12E-08 8.78E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 1 80 111.1 13.7 69.36 5.16E-03 0 1.87E-07 4.67E-08 8.36E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 1 85 111.15 340.6 74.27 4.68E-03 0 1.27E-07 -4.57E-08 7.81E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 1 90 111.2 338.53 73.6 4.16E-03 0 1.16E-07 -4.66E-08 6.91E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 1 95 111.25 333.47 68.85 4.41E-03 0 1.51E-07 -7.70E-08 7.12E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 1 100 111.3 349.04 69.9 4.91E-03 0 1.76E-07 -3.48E-08 7.99E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 1 105 111.35 347.82 68.15 5.09E-03 0 1.96E-07 -4.34E-08 8.19E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 1 110 111.4 347.62 70.93 5.15E-03 0 1.74E-07 -3.91E-08 8.43E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 1 115 111.45 352.18 71.92 4.76E-03 0 1.55E-07 -2.18E-08 7.84E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 1 120 111.5 349.9 69.31 4.60E-03 0 1.70E-07 -3.09E-08 7.46E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 1 125 111.55 350.1 68.05 4.76E-03 0 1.86E-07 -3.32E-08 7.66E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 1 130 111.6 355.07 71.43 4.48E-03 0 1.51E-07 -1.33E-08 7.36E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 1 135 111.65 347.85 71.02 4.14E-03 0 1.40E-07 -3.07E-08 6.78E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 1 140 111.7 340.96 67.7 4.07E-03 0 1.55E-07 -5.47E-08 6.53E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 1 145 111.75 343.15 64.44 4.14E-03 0 1.81E-07 -5.61E-08 6.47E-07 03/12/97 Yes Yes 2130 172 1061 C 13 H 2 0 111.8 356.04 48.01 2.72E-03 0 1.92E-07 -1.36E-08 3.50E-07 03/12/97 Yes Yes 2132 172 1061 C 13 H 2 5 111.85 352.03 62.07 4.94E-03 0 2.43E-07 -3.48E-08 7.56E-07 03/12/97 Yes Yes 2132 172 1061 C 13 H 2 10 111.9 350.64 68.57 4.68E-03 0 1.79E-07 -3.02E-08 7.55E-07 03/12/97 Yes Yes 2132 172 1061 C 13 H 2 15 111.95 344.81 68.09 4.11E-03 0 1.57E-07 -4.36E-08 6.61E-07 03/12/97 Yes Yes 2132 172 1061 C 13 H 2 20 112 340.16 62.73 3.82E-03 0 1.75E-07 -6.44E-08 5.89E-07 03/12/97 Yes Yes 2132 172 1061 C 13 H 2 25 112.05 341.14 63.95 4.20E-03 0 1.85E-07 -6.47E-08 6.55E-07 03/12/97 Yes Yes 2132 172 1061 C 13 H 2 30 112.1 346.49 69.27 3.98E-03 0 1.45E-07 -3.57E-08 6.46E-07 03/12/97 Yes Yes 2132 172 1061 C 13 H 2 35 112.15 8.48 63.22 3.99E-03 0 1.89E-07 2.88E-08 6.18E-07 03/12/97 Yes Yes 2132 172 1061 C 13 H 2 40 112.2 354.87 67.96 3.66E-03 0 1.45E-07 -1.33E-08 5.88E-07 03/12/97 Yes Yes 2132 172 1061 C 13 H 2 45 112.25 337.04 67.04 3.81E-03 0 1.45E-07 -6.28E-08 6.08E-07 03/12/97 Yes Yes 2132 172 1061 C 13 H 2 50 112.3 347.53 68.63 4.08E-03 0 1.54E-07 -3.48E-08 6.58E-07 03/12/97 Yes Yes 2132 172 1061 C 13 H 2 55 112.35 359.47 70.62 4.11E-03 0 1.45E-07 -1.36E-09 6.72E-07 03/12/97 Yes Yes 2132 172 1061 C 13 H 2 60 112.4 349.82 70.97 4.08E-03 0 1.39E-07 -2.55E-08 6.68E-07 03/12/97 Yes Yes 2132 172 1061 C 13 H 2 65 112.45 347.31 70.59 4.18E-03 0 1.44E-07 -3.31E-08 6.83E-07 03/12/97 Yes Yes 2132 172 1061 C 13 H 2 70 112.5 351.47 68.52 4.28E-03 0 1.65E-07 -2.52E-08 6.91E-07 03/12/97 Yes Yes 2132 172 1061 C 13 H 2 75 112.55 358.35 69.77 4.40E-03 0 1.61E-07 -4.75E-09 7.16E-07 03/12/97 Yes Yes 2132 172 1061 C 13 H 2 80 112.6 354.49 72.03 4.29E-03 0 1.40E-07 -1.38E-08 7.07E-07 03/12/97 Yes Yes 2132 172 1061 C 13 H 2 85 112.65 340.12 67.16 3.88E-03 0 1.50E-07 -5.56E-08 6.20E-07 03/12/97 Yes Yes 2132 172 1061 C 13 H 2 90 112.7 349.38 64.25 3.47E-03 0 1.57E-07 -3.01E-08 5.41E-07 03/12/97 Yes Yes 2132 172 1061 C 13 H 2 95 112.75 352.78 66.82 3.25E-03 0 1.34E-07 -1.74E-08 5.17E-07 03/12/97 Yes Yes 2132 172 1061 C 13 H 2 100 112.8 350.8 71.1 3.13E-03 0 1.06E-07 -1.76E-08 5.14E-07 03/12/97 Yes Yes 2132 172 1061 C 13 H 2 105 112.85 356.53 70.31 2.76E-03 0 9.83E-08 -6.09E-09 4.50E-07 03/12/97 Yes Yes 2132 172 1061 C 13 H 2 110 112.9 353.95 68.6 2.71E-03 0 1.04E-07 -1.13E-08 4.38E-07 03/12/97 Yes Yes 2132 172 1061 C 13 H 2 115 112.95 352.07 71.23 2.63E-03 0 8.90E-08 -1.27E-08 4.32E-07 03/12/97 Yes Yes 2132 172 1061 C 13 H 2 120 113 352.74 66.83 2.73E-03 0 1.13E-07 -1.47E-08 4.36E-07 03/12/97 Yes Yes 2132 172 1061 C 13 H 2 125 113.05 9.47 65.79 3.00E-03 0 1.29E-07 2.19E-08 4.74E-07 03/12/97 Yes Yes 2132 172 1061 C 13 H 2 130 113.1 309.69 71.78 2.67E-03 0 5.65E-08 -6.96E-08 4.39E-07 03/12/97 Yes Yes 2132 172 1061 C 13 H 2 135 113.15 269.22 58.47 2.68E-03 0 -2.03E-09 -1.52E-07 3.97E-07 03/12/97 Yes Yes 2132 172 1061 C 13 H 2 140 113.2 29.83 81.89 1.84E-03 0 2.39E-08 1.40E-08 3.16E-07 03/12/97 Yes Yes 2132 172 1061 C 13 H 3 0 113.23 353.69 56.43 8.13E-04 0 4.74E-08 -5.36E-09 1.17E-07 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 5 113.28 11.29 70.95 1.83E-03 0 6.22E-08 1.27E-08 3.00E-07 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 10 113.33 348.36 76.93 2.44E-03 0 5.73E-08 -1.21E-08 4.12E-07 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 15 113.38 346.43 62.84 2.88E-03 0 1.36E-07 -3.35E-08 4.45E-07 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 20 113.43 349.16 63.15 3.81E-03 0 1.79E-07 -3.51E-08 5.89E-07 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 25 113.48 351.86 71.39 3.95E-03 0 1.33E-07 -1.94E-08 6.50E-07 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 30 113.53 345.01 68.1 4.57E-03 0 1.75E-07 -4.78E-08 7.35E-07 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 35 113.58 349.19 70.43 4.69E-03 0 1.64E-07 -3.19E-08 7.66E-07 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 40 113.63 354.36 70.35 4.45E-03 0 1.58E-07 -1.59E-08 7.26E-07 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 45 113.68 348.75 68.23 4.14E-03 0 1.60E-07 -3.25E-08 6.67E-07 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 50 113.73 353.55 68.55 3.89E-03 0 1.50E-07 -1.73E-08 6.28E-07 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 55 113.78 347.13 71.04 3.49E-03 0 1.17E-07 -2.74E-08 5.73E-07 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 60 113.83 353.14 76.63 3.12E-03 0 7.60E-08 -9.36E-09 5.27E-07 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 65 113.88 18.89 75.19 3.26E-03 0 8.36E-08 2.93E-08 5.46E-07 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 70 113.93 354.4 36.59 8.64E-03 0 7.32E-07 -7.34E-08 8.93E-07 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 75 113.98 284.74 66.1 1.25E-02 0 1.36E-07 -5.30E-07 1.98E-06 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 80 114.03 189.87 41.09 7.91E-03 0 -6.23E-07 -1.11E-07 9.01E-07 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 85 114.08 14.55 64.8 3.40E-03 0 1.49E-07 3.95E-08 5.34E-07 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 90 114.13 355.89 59.78 3.41E-03 0 1.81E-07 -1.33E-08 5.10E-07 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 95 114.18 337.27 66.32 3.20E-03 0 1.26E-07 -5.38E-08 5.08E-07 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 100 114.23 340.55 67.04 2.95E-03 0 1.15E-07 -4.15E-08 4.71E-07 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 105 114.28 339.71 66.26 2.93E-03 0 1.17E-07 -4.43E-08 4.65E-07 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 110 114.33 336.36 62.41 3.19E-03 0 1.43E-07 -6.42E-08 4.90E-07 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 115 114.38 350.21 75.66 2.91E-03 0 7.54E-08 -1.33E-08 4.89E-07 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 120 114.43 1.87 85.34 2.38E-03 0 2.05E-08 6.84E-10 4.12E-07 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 125 114.48 273.54 78.73 2.86E-03 0 3.66E-09 -6.05E-08 4.86E-07 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 130 114.53 307.51 56.12 6.61E-03 0 2.38E-07 -3.17E-07 9.52E-07 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 135 114.58 347.26 55.61 1.53E-02 0 8.97E-07 -2.07E-07 2.20E-06 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 140 114.63 10.59 73.12 1.67E-02 0 5.06E-07 9.66E-08 2.77E-06 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 145 114.68 243.68 85.56 8.45E-03 0 -3.08E-08 -6.36E-08 1.46E-06 03/12/97 Yes Yes 2134 172 1061 C 13 H 3 150 114.73 215.93 82.48 3.48E-03 0 -3.91E-08 -2.90E-08 5.98E-07 03/12/97 Yes Yes 2134 172 1061 C 13 H 4 0 114.73 1.21 52.94 2.34E-03 0 1.50E-07 3.23E-09 3.24E-07 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 5 114.78 350.12 66.02 4.38E-03 0 1.86E-07 -3.32E-08 6.94E-07 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 10 114.83 342.69 75.46 4.19E-03 0 1.07E-07 -3.40E-08 7.04E-07 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 15 114.88 339.87 74.03 3.90E-03 0 1.07E-07 -4.01E-08 6.50E-07 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 20 114.93 322.16 55.36 5.12E-03 0 2.44E-07 -1.93E-07 7.30E-07 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 25 114.98 16.61 77.32 6.21E-03 0 1.39E-07 4.23E-08 1.05E-06 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 30 115.03 96.92 76.64 4.35E-03 0 -1.28E-08 1.08E-07 7.33E-07 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 35 115.08 317.37 75.51 3.78E-03 0 7.37E-08 -6.94E-08 6.34E-07 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 40 115.13 350.43 82.49 3.23E-03 0 4.41E-08 -7.60E-09 5.55E-07 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 45 115.18 337.36 72.41 3.11E-03 0 9.20E-08 -3.92E-08 5.14E-07 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 50 115.23 335.09 72.91 3.21E-03 0 9.06E-08 -4.30E-08 5.31E-07 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 55 115.28 338.17 70.97 3.52E-03 0 1.13E-07 -4.63E-08 5.77E-07 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 60 115.33 345.22 75.47 3.50E-03 0 8.99E-08 -2.43E-08 5.87E-07 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 65 115.38 331.75 80.7 3.02E-03 0 4.56E-08 -2.50E-08 5.16E-07 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 70 115.43 331.96 77.02 2.87E-03 0 6.04E-08 -3.29E-08 4.86E-07 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 75 115.48 351.39 57.37 4.29E-03 0 2.43E-07 -3.76E-08 6.27E-07 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 80 115.53 9.1 81.35 4.88E-03 0 7.68E-08 1.26E-08 8.36E-07 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 85 115.58 278.5 85.94 3.73E-03 0 4.14E-09 -2.83E-08 6.45E-07 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 90 115.63 334.59 73.3 3.86E-03 0 1.06E-07 -5.17E-08 6.42E-07 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 95 115.68 353.24 77.81 3.53E-03 0 7.85E-08 -9.51E-09 5.98E-07 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 100 115.73 311.11 78.37 3.04E-03 0 4.28E-08 -5.01E-08 5.17E-07 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 105 115.78 298.12 63.42 4.43E-03 0 9.90E-08 -1.89E-07 6.86E-07 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 110 115.83 78.62 74.1 4.66E-03 0 2.67E-08 1.36E-07 7.77E-07 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 115 115.88 7.98 79.35 4.02E-03 0 7.80E-08 1.12E-08 6.85E-07 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 120 115.93 4.07 81.15 3.78E-03 0 6.15E-08 4.48E-09 6.47E-07 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 125 115.98 351.36 81.87 3.68E-03 0 5.46E-08 -8.48E-09 6.32E-07 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 130 116.03 320.34 77.37 4.09E-03 0 7.30E-08 -6.18E-08 6.91E-07 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 135 116.08 328.25 77.12 5.75E-03 0 1.15E-07 -7.31E-08 9.71E-07 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 140 116.13 348.22 73.02 8.43E-03 0 2.56E-07 -5.45E-08 1.40E-06 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 145 116.18 331.68 59.94 1.63E-02 0 7.61E-07 -4.20E-07 2.44E-06 03/12/97 Yes Yes 2136 172 1061 C 13 H 4 150 116.23 5.64 82.81 1.35E-02 0 1.78E-07 1.80E-08 2.32E-06 03/12/97 Yes Yes 2136 172 1061 C 13 H 5 0 116.23 335.46 59.47 2.72E-02 0 1.33E-06 -6.22E-07 4.06E-06 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 5 116.28 331.65 52.83 7.62E-02 0 4.29E-06 -2.37E-06 1.05E-05 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 10 116.33 341.74 56.98 9.24E-02 0 5.07E-06 -1.71E-06 1.34E-05 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 15 116.38 345.39 76.48 6.01E-02 0 1.44E-06 -3.84E-07 1.01E-05 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 20 116.43 181.4 74.22 2.32E-02 0 -6.68E-07 -1.67E-08 3.87E-06 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 25 116.48 272.97 81.22 1.54E-02 0 1.29E-08 -2.54E-07 2.63E-06 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 30 116.53 355.27 68.44 1.98E-02 0 7.68E-07 -6.51E-08 3.19E-06 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 35 116.58 340.67 74.94 1.85E-02 0 4.81E-07 -1.72E-07 3.10E-06 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 40 116.63 229.78 84.79 9.84E-03 0 -6.12E-08 -7.39E-08 1.70E-06 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 45 116.68 346.36 86.04 5.12E-03 0 3.64E-08 -9.05E-09 8.85E-07 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 50 116.73 348.37 73.8 4.55E-03 0 1.32E-07 -2.78E-08 7.58E-07 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 55 116.78 340.48 72.95 5.11E-03 0 1.50E-07 -5.43E-08 8.46E-07 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 60 116.83 346.22 74.64 5.95E-03 0 1.62E-07 -4.07E-08 9.95E-07 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 65 116.88 346.7 69.63 7.31E-03 0 2.63E-07 -6.35E-08 1.19E-06 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 70 116.93 344.21 68.96 8.25E-03 0 3.02E-07 -8.74E-08 1.34E-06 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 75 116.98 344.58 76.57 7.09E-03 0 1.68E-07 -4.75E-08 1.20E-06 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 80 117.03 353.87 75.77 6.17E-03 0 1.60E-07 -1.76E-08 1.04E-06 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 85 117.08 345.98 72.17 5.88E-03 0 1.85E-07 -4.73E-08 9.70E-07 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 90 117.13 337.52 71.71 6.27E-03 0 1.93E-07 -8.17E-08 1.03E-06 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 95 117.18 346.54 74.72 7.12E-03 0 1.94E-07 -4.74E-08 1.19E-06 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 100 117.23 3.08 80.25 6.09E-03 0 1.09E-07 6.00E-09 1.04E-06 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 105 117.28 1.07 82.17 5.05E-03 0 7.29E-08 1.40E-09 8.67E-07 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 110 117.33 33.85 80.09 4.50E-03 0 6.82E-08 4.68E-08 7.69E-07 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 115 117.38 345.07 65.73 5.98E-03 0 2.52E-07 -6.87E-08 9.46E-07 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 120 117.43 336.16 68.36 9.04E-03 0 3.24E-07 -1.46E-07 1.46E-06 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 125 117.48 313.37 84.21 7.61E-03 0 5.60E-08 -6.06E-08 1.31E-06 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 130 117.53 312.69 80.05 6.22E-03 0 7.73E-08 -8.57E-08 1.06E-06 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 135 117.58 4.02 84.29 5.72E-03 0 6.03E-08 4.33E-09 9.87E-07 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 140 117.63 11.76 70.11 8.73E-03 0 3.08E-07 6.57E-08 1.42E-06 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 145 117.68 344.2 68.95 1.35E-02 0 4.94E-07 -1.43E-07 2.18E-06 03/12/97 Yes Yes 2138 172 1061 C 13 H 5 150 117.73 177.45 87.55 9.01E-03 0 -4.09E-08 1.86E-09 1.56E-06 03/12/97 Yes Yes 2138 172 1061 C 13 H 6 0 117.73 325.68 50 6.64E-03 0 3.74E-07 -2.61E-07 8.81E-07 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 5 117.78 342.27 71.34 7.89E-03 0 2.55E-07 -8.33E-08 1.30E-06 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 10 117.83 344.29 76.45 6.13E-03 0 1.47E-07 -4.22E-08 1.03E-06 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 15 117.88 340.89 75.95 5.37E-03 0 1.31E-07 -4.63E-08 9.04E-07 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 20 117.93 343 75.59 4.71E-03 0 1.19E-07 -3.71E-08 7.91E-07 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 25 117.98 343.37 76.35 4.31E-03 0 1.03E-07 -3.16E-08 7.26E-07 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 30 118.03 329.84 76.73 3.79E-03 0 7.98E-08 -4.74E-08 6.39E-07 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 35 118.08 337.85 74.78 3.17E-03 0 8.19E-08 -3.41E-08 5.31E-07 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 40 118.13 333.18 72.15 2.70E-03 0 7.84E-08 -4.05E-08 4.46E-07 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 45 118.18 326.97 62.86 3.10E-03 0 1.26E-07 -8.35E-08 4.78E-07 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 50 118.23 49.22 82.96 2.94E-03 0 2.50E-08 2.96E-08 5.06E-07 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 55 118.28 353.12 76.26 2.69E-03 0 6.73E-08 -8.31E-09 4.53E-07 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 60 118.33 334.73 71.47 2.70E-03 0 8.21E-08 -3.96E-08 4.43E-07 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 65 118.38 345.75 74.63 2.61E-03 0 7.12E-08 -1.85E-08 4.37E-07 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 70 118.43 356.73 74.06 2.69E-03 0 7.83E-08 -4.57E-09 4.49E-07 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 75 118.48 341.5 77.14 2.78E-03 0 6.23E-08 -2.13E-08 4.70E-07 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 80 118.53 339.42 74.86 2.61E-03 0 6.77E-08 -2.60E-08 4.37E-07 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 85 118.58 349.48 74.39 2.55E-03 0 7.15E-08 -1.36E-08 4.25E-07 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 90 118.63 339.34 74.3 2.56E-03 0 6.87E-08 -2.65E-08 4.27E-07 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 95 118.68 358.76 73.97 2.67E-03 0 7.81E-08 -1.73E-09 4.44E-07 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 100 118.73 326.2 76.43 2.63E-03 0 5.45E-08 -3.73E-08 4.44E-07 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 105 118.78 316.73 75.25 2.40E-03 0 4.72E-08 -4.54E-08 4.02E-07 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 110 118.83 340.06 74.89 2.41E-03 0 6.26E-08 -2.32E-08 4.03E-07 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 115 118.88 352.67 73.52 2.61E-03 0 7.77E-08 -1.02E-08 4.33E-07 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 120 118.93 341.36 75.22 2.80E-03 0 7.18E-08 -2.48E-08 4.69E-07 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 125 118.98 338.88 72.55 2.94E-03 0 8.71E-08 -3.44E-08 4.86E-07 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 130 119.03 350.09 71.39 3.12E-03 0 1.04E-07 -1.86E-08 5.12E-07 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 135 119.08 350.95 70.32 3.25E-03 0 1.15E-07 -1.87E-08 5.31E-07 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 140 119.13 342.04 69.65 3.33E-03 0 1.17E-07 -3.87E-08 5.41E-07 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 145 119.18 351.46 71.76 2.93E-03 0 9.61E-08 -1.47E-08 4.82E-07 03/12/97 Yes Yes 2140 172 1061 C 13 H 6 150 119.23 130.38 86.89 1.60E-03 0 -5.96E-09 7.17E-09 2.77E-07 03/12/97 Yes Yes 2140 172 1061 C 13 H 7 0 119.23 349.65 50.52 1.83E-03 0 1.22E-07 -2.27E-08 2.45E-07 03/12/97 Yes Yes 2142 172 1061 C 13 H 7 5 119.28 350.11 65.99 3.40E-03 0 1.44E-07 -2.57E-08 5.38E-07 03/12/97 Yes Yes 2142 172 1061 C 13 H 7 10 119.33 351.18 73.24 3.30E-03 0 9.98E-08 -1.58E-08 5.48E-07 03/12/97 Yes Yes 2142 172 1061 C 13 H 7 15 119.38 356.68 69.7 3.33E-03 0 1.22E-07 -7.24E-09 5.41E-07 03/12/97 Yes Yes 2142 172 1061 C 13 H 7 20 119.43 355.82 70.33 3.10E-03 0 1.10E-07 -8.25E-09 5.06E-07 03/12/97 Yes Yes 2142 172 1061 C 13 H 7 25 119.48 349.99 72.64 3.00E-03 0 9.36E-08 -1.69E-08 4.97E-07 03/12/97 Yes Yes 2142 172 1061 C 13 H 7 30 119.53 358.54 70.8 3.17E-03 0 1.11E-07 -2.88E-09 5.19E-07 03/12/97 Yes Yes 2142 172 1061 C 13 H 7 35 119.58 356.44 72.34 3.60E-03 0 1.16E-07 -7.37E-09 5.95E-07 03/12/97 Yes Yes 2142 172 1061 C 13 H 7 40 119.63 330.14 76.81 3.48E-03 0 7.30E-08 -4.28E-08 5.87E-07 03/12/97 Yes Yes 2142 172 1061 C 13 H 7 45 119.68 342.18 77.3 3.33E-03 0 7.40E-08 -2.43E-08 5.64E-07 03/12/97 Yes Yes 2142 172 1061 C 13 H 7 50 119.73 346.69 73.84 3.63E-03 0 1.04E-07 -2.52E-08 6.04E-07 03/12/97 Yes Yes 2142 172 1061 C 13 H 7 55 119.78 340.79 71.6 4.14E-03 0 1.31E-07 -4.67E-08 6.82E-07 03/12/97 Yes Yes 2142 172 1061 C 13 H 7 60 119.83 355.46 70.36 4.61E-03 0 1.64E-07 -1.33E-08 7.52E-07 03/12/97 Yes Yes 2142 172 1061 C 13 H 7 65 119.88 3.71 69.31 5.54E-03 0 2.07E-07 1.37E-08 8.99E-07 03/12/97 Yes Yes 2142 172 1061 C 13 H 7 70 119.93 198.87 85.05 5.56E-03 0 -4.82E-08 -1.68E-08 9.61E-07 03/12/97 Yes Yes 2142 172 1061 C 13 H 7 75 119.98 193.57 71.19 2.85E-03 0 -9.49E-08 -2.34E-08 4.68E-07 03/12/97 Yes Yes 2142 172 1061 C 13 H 7 80 120.03 195 74.45 1.30E-03 0 -3.57E-08 -9.78E-09 2.17E-07 03/12/97 Yes Yes 2142 172 1061 C 14 H 1 0 119.8 42.39 54.81 2.35E-03 0 1.06E-07 9.91E-08 3.33E-07 03/12/97 Yes Yes 2144 172 1061 C 14 H 1 5 119.85 293.1 48.95 3.61E-03 0 9.87E-08 -2.37E-07 4.72E-07 03/12/97 Yes Yes 2144 172 1061 C 14 H 1 10 119.9 327.32 76.78 2.38E-03 0 4.86E-08 -3.19E-08 4.02E-07 03/12/97 Yes Yes 2144 172 1061 C 14 H 1 15 119.95 27.79 74.45 2.67E-03 0 6.73E-08 3.62E-08 4.47E-07 03/12/97 Yes Yes 2144 172 1061 C 14 H 1 20 120 59.55 72.11 2.65E-03 0 4.37E-08 7.60E-08 4.37E-07 03/12/97 Yes Yes 2144 172 1061 C 14 H 1 25 120.05 50.6 75.68 2.44E-03 0 4.06E-08 5.05E-08 4.09E-07 03/12/97 Yes Yes 2144 172 1061 C 14 H 1 30 120.1 333.5 55.71 3.26E-03 0 1.75E-07 -8.90E-08 4.68E-07 03/12/97 Yes Yes 2144 172 1061 C 14 H 1 35 120.15 297.98 64.94 6.26E-03 0 1.32E-07 -2.54E-07 9.83E-07 03/12/97 Yes Yes 2144 172 1061 C 14 H 1 40 120.2 132.53 42.79 5.65E-03 0 -2.98E-07 3.32E-07 6.66E-07 03/12/97 Yes Yes 2144 172 1061 C 14 H 1 45 120.25 37.53 73.25 2.00E-03 0 4.86E-08 3.82E-08 3.32E-07 03/12/97 Yes Yes 2144 172 1061 C 14 H 1 50 120.3 358.32 71.49 1.88E-03 0 6.33E-08 -1.90E-09 3.09E-07 03/12/97 Yes Yes 2144 172 1061 C 14 H 1 55 120.35 20.3 76.67 1.83E-03 0 4.20E-08 1.59E-08 3.09E-07 03/12/97 Yes Yes 2144 172 1061 C 14 H 1 60 120.4 22.78 76.41 1.85E-03 0 4.25E-08 1.83E-08 3.12E-07 03/12/97 Yes Yes 2144 172 1061 C 14 H 1 65 120.45 44.77 77.99 1.87E-03 0 2.93E-08 2.97E-08 3.17E-07 03/12/97 Yes Yes 2144 172 1061 C 14 H 1 70 120.5 35.57 76.03 1.74E-03 0 3.62E-08 2.65E-08 2.93E-07 03/12/97 Yes Yes 2144 172 1061 C 14 H 1 75 120.55 20.19 75.03 1.77E-03 0 4.55E-08 1.71E-08 2.96E-07 03/12/97 Yes Yes 2144 172 1061 C 14 H 1 80 120.6 28.64 83.3 1.69E-03 0 1.84E-08 1.02E-08 2.91E-07 03/12/97 Yes Yes 2144 172 1061 C 14 H 2 0 121.3 5.34 57.95 6.76E-04 0 3.79E-08 3.62E-09 9.93E-08 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 5 121.35 24.42 68.99 1.42E-03 0 4.93E-08 2.29E-08 2.30E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 10 121.4 42.16 75.62 1.54E-03 0 3.01E-08 2.79E-08 2.59E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 15 121.45 2.83 74.15 1.44E-03 0 4.16E-08 2.10E-09 2.40E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 20 121.5 169.32 87.84 1.15E-03 0 -4.51E-09 8.71E-10 1.99E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 25 121.55 19.34 64.71 1.22E-03 0 5.20E-08 1.87E-08 1.91E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 30 121.6 14.91 68.58 1.81E-03 0 6.79E-08 1.85E-08 2.93E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 35 121.65 15.78 75.76 2.18E-03 0 5.47E-08 1.58E-08 3.66E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 40 121.7 23.2 76.91 2.22E-03 0 4.90E-08 2.15E-08 3.75E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 45 121.75 27.29 70.49 2.34E-03 0 7.37E-08 3.89E-08 3.83E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 50 121.8 43.43 70.02 2.69E-03 0 7.07E-08 6.84E-08 4.38E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 55 121.85 19.86 83.34 2.47E-03 0 2.86E-08 1.06E-08 4.25E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 60 121.9 20.65 75.63 2.28E-03 0 5.62E-08 2.17E-08 3.84E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 65 121.95 37.82 70.21 2.39E-03 0 6.78E-08 5.38E-08 3.90E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 70 122 47.93 71.91 2.47E-03 0 5.45E-08 6.18E-08 4.07E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 75 122.05 44.68 72.87 2.32E-03 0 5.16E-08 5.21E-08 3.85E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 80 122.1 18.3 70.81 2.20E-03 0 7.29E-08 2.47E-08 3.61E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 85 122.15 35.76 73.19 2.07E-03 0 5.15E-08 3.79E-08 3.44E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 90 122.2 28.62 75.65 2.00E-03 0 4.63E-08 2.58E-08 3.37E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 95 122.25 26.39 73.28 2.14E-03 0 5.85E-08 2.97E-08 3.56E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 100 122.3 27.25 74.75 2.23E-03 0 5.54E-08 2.92E-08 3.74E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 105 122.35 25.69 75.69 2.23E-03 0 5.26E-08 2.59E-08 3.74E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 110 122.4 27.05 74.73 2.24E-03 0 5.57E-08 2.91E-08 3.75E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 115 122.45 35.76 77.89 2.03E-03 0 3.67E-08 2.70E-08 3.44E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 120 122.5 13.21 77.29 1.65E-03 0 3.75E-08 9.00E-09 2.79E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 125 122.55 13.02 74.18 1.61E-03 0 4.54E-08 1.07E-08 2.69E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 130 122.6 10.24 73.5 1.62E-03 0 4.79E-08 8.85E-09 2.69E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 135 122.65 4.72 76.54 1.77E-03 0 4.36E-08 3.68E-09 2.99E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 140 122.7 11.46 76.91 1.82E-03 0 4.28E-08 8.86E-09 3.07E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 145 122.75 1.48 77.94 1.70E-03 0 3.77E-08 9.98E-10 2.89E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 2 150 122.8 148.88 80.31 9.22E-04 0 -1.41E-08 8.70E-09 1.58E-07 03/12/97 Yes Yes 2146 172 1061 C 14 H 3 0 122.8 22.73 64.59 6.90E-04 0 2.90E-08 1.24E-08 1.08E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 5 122.85 2.85 76.06 1.52E-03 0 3.87E-08 1.97E-09 2.55E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 10 122.9 338.22 78.76 1.89E-03 0 3.63E-08 -1.48E-08 3.22E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 15 122.95 324.31 74.94 2.24E-03 0 5.02E-08 -3.69E-08 3.76E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 20 123 9.34 80.32 2.46E-03 0 4.32E-08 7.27E-09 4.20E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 25 123.05 25.96 65.22 3.13E-03 0 1.25E-07 6.22E-08 4.92E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 30 123.1 15.48 69.01 4.15E-03 0 1.52E-07 4.30E-08 6.71E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 35 123.15 353.65 74.67 4.00E-03 0 1.12E-07 -1.27E-08 6.69E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 40 123.2 7.37 79.88 3.21E-03 0 5.93E-08 7.83E-09 5.47E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 45 123.25 35.48 81.13 2.36E-03 0 3.15E-08 2.29E-08 4.05E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 50 123.3 50.44 72.27 2.02E-03 0 4.15E-08 5.13E-08 3.33E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 55 123.35 24.7 73.3 1.84E-03 0 5.10E-08 2.40E-08 3.05E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 60 123.4 21.92 74.98 1.94E-03 0 4.95E-08 2.04E-08 3.25E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 65 123.45 50.86 71.92 1.83E-03 0 3.81E-08 4.79E-08 3.02E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 70 123.5 28.38 71.05 1.74E-03 0 5.26E-08 2.90E-08 2.85E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 75 123.55 18.08 70.47 1.83E-03 0 6.17E-08 2.06E-08 2.99E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 80 123.6 21.67 73.81 1.81E-03 0 4.96E-08 2.02E-08 3.01E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 85 123.65 34.6 73.11 1.85E-03 0 4.69E-08 3.31E-08 3.07E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 90 123.7 26.97 71.08 1.86E-03 0 5.70E-08 2.96E-08 3.05E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 95 123.75 22.43 69.39 1.85E-03 0 6.38E-08 2.69E-08 3.00E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 100 123.8 32.47 73.05 1.86E-03 0 4.85E-08 3.16E-08 3.08E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 105 123.85 27.89 75.67 1.80E-03 0 4.19E-08 2.27E-08 3.03E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 110 123.9 19.63 72.25 1.85E-03 0 5.65E-08 2.06E-08 3.06E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 115 123.95 25.25 72.7 1.82E-03 0 5.19E-08 2.50E-08 3.01E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 120 124 25.43 72.18 1.76E-03 0 5.16E-08 2.51E-08 2.90E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 125 124.05 24.6 72.25 1.82E-03 0 5.34E-08 2.50E-08 3.00E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 130 124.1 7.76 73.94 1.84E-03 0 5.35E-08 7.46E-09 3.07E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 135 124.15 1.65 75.04 1.82E-03 0 4.97E-08 1.46E-09 3.04E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 140 124.2 16.86 71.99 1.76E-03 0 5.51E-08 1.71E-08 2.89E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 145 124.25 22.48 68.7 1.59E-03 0 5.66E-08 2.40E-08 2.57E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 3 150 124.3 109.12 79.94 8.75E-04 0 -5.31E-09 1.57E-08 1.49E-07 03/12/97 Yes Yes 2149 172 1061 C 14 H 4 0 124.3 354.99 55.71 7.86E-04 0 4.68E-08 -4.19E-09 1.13E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 5 124.35 5.09 69.25 1.68E-03 0 6.27E-08 5.71E-09 2.72E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 10 124.4 26.55 76.97 1.88E-03 0 4.03E-08 2.06E-08 3.18E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 15 124.45 26.28 76.02 1.90E-03 0 4.36E-08 2.20E-08 3.19E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 20 124.5 14.98 76.48 1.91E-03 0 4.58E-08 1.25E-08 3.22E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 25 124.55 16.28 76.38 1.85E-03 0 4.44E-08 1.33E-08 3.12E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 30 124.6 18.31 74.38 1.90E-03 0 5.14E-08 1.74E-08 3.17E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 35 124.65 5.32 75.54 1.95E-03 0 5.14E-08 4.90E-09 3.27E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 40 124.7 27.92 78.45 1.89E-03 0 3.54E-08 1.92E-08 3.21E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 45 124.75 22.53 74.81 1.74E-03 0 4.47E-08 1.90E-08 2.91E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 50 124.8 26.69 73 1.71E-03 0 4.73E-08 2.43E-08 2.83E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 55 124.85 16.75 77.49 1.56E-03 0 3.43E-08 1.05E-08 2.64E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 60 124.9 33.66 76.89 1.63E-03 0 3.27E-08 2.22E-08 2.75E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 65 124.95 35.25 78.64 1.81E-03 0 3.08E-08 2.23E-08 3.07E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 70 125 27.49 78.52 1.93E-03 0 3.62E-08 1.93E-08 3.29E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 75 125.05 17.89 78.54 1.89E-03 0 3.79E-08 1.25E-08 3.21E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 80 125.1 25.58 76.51 1.80E-03 0 4.02E-08 1.97E-08 3.04E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 85 125.15 15.36 76.39 1.81E-03 0 4.36E-08 1.22E-08 3.05E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 90 125.2 15.36 76.1 1.81E-03 0 4.45E-08 1.25E-08 3.05E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 95 125.25 37.66 74.41 1.86E-03 0 4.19E-08 3.31E-08 3.10E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 100 125.3 35.81 78.61 1.91E-03 0 3.25E-08 2.40E-08 3.25E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 105 125.35 14.01 76.1 1.77E-03 0 4.38E-08 1.12E-08 2.98E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 110 125.4 25.41 73.04 1.80E-03 0 5.03E-08 2.44E-08 2.98E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 115 125.45 31.93 76.36 1.80E-03 0 3.82E-08 2.43E-08 3.03E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 120 125.5 13.69 78.7 1.97E-03 0 3.98E-08 9.92E-09 3.35E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 125 125.55 14.06 79.19 2.22E-03 0 4.28E-08 1.10E-08 3.78E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 130 125.6 12.34 77.61 2.36E-03 0 5.24E-08 1.17E-08 3.99E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 135 125.65 353.72 70.62 3.00E-03 0 1.05E-07 -1.18E-08 4.91E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 140 125.7 348.51 73.7 3.54E-03 0 1.03E-07 -2.14E-08 5.88E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 145 125.75 41.35 78.86 2.82E-03 0 4.34E-08 3.90E-08 4.80E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 4 150 125.8 119.81 76.08 1.67E-03 0 -2.12E-08 3.79E-08 2.82E-07 03/12/97 Yes Yes 2151 172 1061 C 14 H 5 0 125.8 8.43 57.59 1.01E-03 0 5.68E-08 8.61E-09 1.48E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 5 125.85 25.34 68.57 2.10E-03 0 7.37E-08 3.57E-08 3.40E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 10 125.9 45.88 74 2.35E-03 0 4.79E-08 5.05E-08 3.92E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 15 125.95 58.05 76.84 2.26E-03 0 2.88E-08 4.73E-08 3.81E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 20 126 58.97 79.21 2.16E-03 0 2.21E-08 3.76E-08 3.68E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 25 126.05 59.87 79.17 2.09E-03 0 2.09E-08 3.68E-08 3.55E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 30 126.1 15.12 77.47 2.38E-03 0 5.29E-08 1.46E-08 4.03E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 35 126.15 7.73 73.08 2.93E-03 0 8.95E-08 1.24E-08 4.85E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 40 126.2 1.7 73.76 3.23E-03 0 9.57E-08 2.90E-09 5.37E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 45 126.25 40.26 77.3 3.00E-03 0 5.33E-08 4.62E-08 5.07E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 50 126.3 51.21 76.63 2.51E-03 0 3.86E-08 4.91E-08 4.23E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 55 126.35 37.01 80.19 2.26E-03 0 3.27E-08 2.52E-08 3.86E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 60 126.4 58.5 79.37 2.03E-03 0 2.08E-08 3.47E-08 3.46E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 65 126.45 56.29 77.07 1.61E-03 0 2.12E-08 3.25E-08 2.72E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 70 126.5 31.55 74.47 1.55E-03 0 3.74E-08 2.35E-08 2.58E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 75 126.55 41.23 75.33 1.58E-03 0 3.19E-08 2.86E-08 2.65E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 80 126.6 49.95 74.35 1.54E-03 0 2.84E-08 3.46E-08 2.58E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 85 126.65 55.92 74.43 1.48E-03 0 2.35E-08 3.56E-08 2.46E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 90 126.7 50.28 75.91 1.40E-03 0 2.30E-08 2.83E-08 2.35E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 95 126.75 41.55 76.78 1.31E-03 0 2.37E-08 2.15E-08 2.21E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 100 126.8 36.97 78.24 1.22E-03 0 2.11E-08 1.62E-08 2.07E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 105 126.85 39.12 77.51 1.17E-03 0 2.08E-08 1.73E-08 1.98E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 110 126.9 34.94 78.89 1.09E-03 0 1.83E-08 1.30E-08 1.86E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 115 126.95 37.28 80.07 9.87E-04 0 1.44E-08 1.12E-08 1.69E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 120 127 32.52 79.5 9.03E-04 0 1.47E-08 9.59E-09 1.54E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 125 127.05 22.63 78.63 9.14E-04 0 1.77E-08 7.52E-09 1.55E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 130 127.1 39.24 75.19 9.55E-04 0 2.01E-08 1.68E-08 1.60E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 135 127.15 25.41 68.54 1.10E-03 0 3.87E-08 1.88E-08 1.78E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 140 127.2 262.99 53.8 1.72E-03 0 -1.31E-08 -1.09E-07 2.40E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 145 127.25 228.37 37.53 1.82E-03 0 -1.02E-07 -1.17E-07 1.92E-07 03/12/97 Yes Yes 2153 172 1061 C 14 H 5 150 127.3 109.13 66.81 5.90E-04 0 -8.08E-09 2.38E-08 9.41E-08 03/12/97 Yes Yes 2153 172 1061 C 14 H 6 0 127.3 359.44 62.1 4.30E-04 0 2.13E-08 -2.14E-10 6.59E-08 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 5 127.35 38.21 72.52 8.40E-04 0 2.10E-08 1.69E-08 1.39E-07 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 10 127.4 51.34 74.56 9.25E-04 0 1.63E-08 2.08E-08 1.55E-07 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 15 127.45 47.44 76.97 8.54E-04 0 1.38E-08 1.54E-08 1.44E-07 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 20 127.5 56.64 80.82 7.62E-04 0 7.09E-09 1.10E-08 1.30E-07 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 25 127.55 44.15 79.93 6.76E-04 0 9.00E-09 8.94E-09 1.15E-07 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 30 127.6 22.81 77.62 7.53E-04 0 1.58E-08 6.78E-09 1.27E-07 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 35 127.65 47.49 81.81 7.17E-04 0 7.32E-09 8.17E-09 1.23E-07 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 40 127.7 49.29 75.15 7.41E-04 0 1.31E-08 1.56E-08 1.24E-07 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 45 127.75 41.48 79.01 8.08E-04 0 1.22E-08 1.11E-08 1.38E-07 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 50 127.8 34.52 78.14 8.91E-04 0 1.60E-08 1.13E-08 1.51E-07 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 55 127.85 46.82 74.72 1.03E-03 0 1.96E-08 2.14E-08 1.72E-07 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 60 127.9 53.9 71.57 1.21E-03 0 2.38E-08 3.34E-08 1.98E-07 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 65 127.95 56.7 71 1.33E-03 0 2.51E-08 3.91E-08 2.17E-07 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 70 128 53.92 64.26 1.58E-03 0 4.29E-08 6.01E-08 2.47E-07 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 75 128.05 67.89 64.94 1.74E-03 0 2.94E-08 7.39E-08 2.73E-07 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 80 128.1 44.7 75.55 1.82E-03 0 3.42E-08 3.46E-08 3.05E-07 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 85 128.15 4.67 74.14 2.63E-03 0 7.61E-08 6.36E-09 4.39E-07 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 90 128.2 351.47 80.56 3.43E-03 0 5.89E-08 -9.04E-09 5.86E-07 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 95 128.25 24.03 77.62 4.49E-03 0 9.32E-08 4.25E-08 7.60E-07 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 100 128.3 41.76 70.52 7.10E-03 0 1.87E-07 1.71E-07 1.16E-06 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 105 128.35 45.76 62.61 1.06E-02 0 3.61E-07 3.79E-07 1.63E-06 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 110 128.4 54.67 66.1 1.29E-02 0 3.21E-07 4.63E-07 2.05E-06 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 115 128.45 54.44 71.41 1.21E-02 0 2.38E-07 3.41E-07 1.99E-06 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 120 128.5 63.38 67.61 1.27E-02 0 2.31E-07 4.71E-07 2.04E-06 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 125 128.55 73.78 66.67 1.32E-02 0 1.54E-07 5.43E-07 2.10E-06 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 130 128.6 75.62 71.4 1.16E-02 0 9.70E-08 3.87E-07 1.90E-06 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 135 128.65 58.32 72.05 1.09E-02 0 1.88E-07 3.11E-07 1.80E-06 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 140 128.7 58.68 62.13 1.27E-02 0 3.27E-07 5.49E-07 1.94E-06 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 145 128.75 61.62 55.29 1.59E-02 0 4.56E-07 8.63E-07 2.26E-06 03/12/97 Yes Yes 2155 172 1061 C 14 H 6 150 128.8 98.83 60.93 9.15E-03 0 -7.24E-08 4.76E-07 1.39E-06 03/12/97 Yes Yes 2155 172 1061 C 14 H 7 0 128.8 17.61 60.46 7.89E-03 0 3.93E-07 1.28E-07 1.19E-06 03/12/97 Yes Yes 2157 172 1061 C 14 H 7 5 128.85 56.73 58.39 1.69E-02 0 5.16E-07 8.04E-07 2.50E-06 03/12/97 Yes Yes 2157 172 1061 C 14 H 7 10 128.9 63.24 66.72 1.67E-02 0 3.14E-07 6.37E-07 2.65E-06 03/12/97 Yes Yes 2157 172 1061 C 14 H 7 15 128.95 45.6 71.99 1.55E-02 0 3.56E-07 3.72E-07 2.56E-06 03/12/97 Yes Yes 2157 172 1061 C 14 H 7 20 129 45.45 72.67 1.52E-02 0 3.37E-07 3.50E-07 2.52E-06 03/12/97 Yes Yes 2157 172 1061 C 14 H 7 25 129.05 45.24 76.04 1.44E-02 0 2.59E-07 2.67E-07 2.42E-06 03/12/97 Yes Yes 2157 172 1061 C 14 H 7 30 129.1 20.95 79.05 1.36E-02 0 2.56E-07 1.00E-07 2.31E-06 03/12/97 Yes Yes 2157 172 1061 C 14 H 7 35 129.15 29.67 74.34 1.43E-02 0 3.55E-07 2.07E-07 2.38E-06 03/12/97 Yes Yes 2157 172 1061 C 14 H 7 40 129.2 41.32 75.08 1.50E-02 0 3.07E-07 2.76E-07 2.51E-06 03/12/97 Yes Yes 2157 172 1061 C 14 H 7 45 129.25 45.9 75.75 1.44E-02 0 2.61E-07 2.76E-07 2.42E-06 03/12/97 Yes Yes 2157 172 1061 C 14 H 7 50 129.3 31.34 75.99 1.47E-02 0 3.22E-07 2.00E-07 2.47E-06 03/12/97 Yes Yes 2157 172 1061 C 14 H 7 55 129.35 31.12 78.92 1.48E-02 0 2.59E-07 1.60E-07 2.52E-06 03/12/97 Yes Yes 2157 172 1061 C 14 H 7 60 129.4 4.98 69.47 1.85E-02 0 6.85E-07 6.10E-08 3.00E-06 03/12/97 Yes Yes 2157 172 1061 C 14 H 7 65 129.45 352.39 76.14 2.97E-02 0 7.47E-07 -1.02E-07 4.99E-06 03/12/97 Yes Yes 2157 172 1061 C 14 H 7 70 129.5 163.89 72.39 2.84E-02 0 -8.75E-07 2.58E-07 4.69E-06 03/12/97 Yes Yes 2157 172 1061 C 14 H 7 75 129.55 122.67 82.08 1.47E-02 0 -1.16E-07 1.85E-07 2.52E-06 03/12/97 Yes Yes 2157 172 1061 C 14 H 7 80 129.6 22.85 67.29 1.01E-02 0 3.82E-07 1.65E-07 1.62E-06 03/12/97 Yes Yes 2157 172 1061 C 15 H 1 0 129.3 171.08 -67.69 8.18E-03 0 -3.25E-07 5.22E-08 -1.31E-06 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 5 129.35 314.99 -59.01 1.85E-02 0 7.13E-07 -7.29E-07 -2.74E-06 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 10 129.4 331.26 -0.18 1.65E-02 0 1.53E-06 -8.58E-07 -8.79E-09 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 15 129.45 21.42 76.33 1.80E-02 0 4.20E-07 1.69E-07 3.04E-06 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 20 129.5 288.43 80.07 2.38E-02 0 1.38E-07 -4.22E-07 4.06E-06 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 25 129.55 327.35 63.26 3.17E-02 0 1.27E-06 -8.35E-07 4.91E-06 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 30 129.6 346.24 57.62 4.43E-02 0 2.44E-06 -6.12E-07 6.49E-06 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 35 129.65 344.62 59.07 5.02E-02 0 2.64E-06 -7.42E-07 7.47E-06 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 40 129.7 333.86 62.92 5.07E-02 0 2.20E-06 -1.10E-06 7.82E-06 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 45 129.75 328.67 62.97 5.15E-02 0 2.12E-06 -1.32E-06 7.96E-06 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 50 129.8 332.52 57.81 5.61E-02 0 2.81E-06 -1.50E-06 8.23E-06 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 55 129.85 333.18 59.6 5.57E-02 0 2.67E-06 -1.38E-06 8.33E-06 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 60 129.9 335.68 62.17 5.34E-02 0 2.41E-06 -1.11E-06 8.19E-06 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 65 129.95 318.86 68.84 4.69E-02 0 1.35E-06 -1.21E-06 7.58E-06 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 70 130 333 65.4 4.73E-02 0 1.86E-06 -9.68E-07 7.45E-06 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 75 130.05 339.5 63.82 5.75E-02 0 2.52E-06 -9.63E-07 8.94E-06 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 80 130.1 334.38 65.23 6.11E-02 0 2.45E-06 -1.20E-06 9.62E-06 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 85 130.15 336.66 64.54 6.64E-02 0 2.78E-06 -1.23E-06 1.04E-05 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 90 130.2 328.9 69.47 6.33E-02 0 2.02E-06 -1.24E-06 1.03E-05 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 95 130.25 328.02 67.57 5.49E-02 0 1.89E-06 -1.20E-06 8.80E-06 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 100 130.3 337.09 73.02 4.37E-02 0 1.25E-06 -5.39E-07 7.24E-06 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 105 130.35 345.69 68.41 4.25E-02 0 1.61E-06 -4.19E-07 6.85E-06 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 110 130.4 341.67 65.17 5.04E-02 0 2.13E-06 -7.22E-07 7.93E-06 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 115 130.45 336.75 68.68 5.13E-02 0 1.82E-06 -7.99E-07 8.29E-06 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 120 130.5 331.32 67.59 5.19E-02 0 1.84E-06 -1.03E-06 8.32E-06 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 125 130.55 335.89 67.54 5.17E-02 0 1.91E-06 -8.74E-07 8.28E-06 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 130 130.6 338.71 60.68 5.69E-02 0 2.75E-06 -1.10E-06 8.60E-06 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 135 130.65 336.65 51.73 7.43E-02 0 4.48E-06 -1.98E-06 1.01E-05 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 140 130.7 329.39 53.31 7.89E-02 0 4.30E-06 -2.60E-06 1.10E-05 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 145 130.75 326.13 64.37 5.58E-02 0 2.13E-06 -1.46E-06 8.72E-06 03/12/97 Yes Yes 2159 172 1061 C 15 H 1 150 130.8 145.73 80.33 2.07E-02 0 -3.05E-07 2.12E-07 3.54E-06 03/12/97 Yes Yes 2159 172 1061 C 15 H 2 0 130.8 336.03 47.78 3.08E-02 0 2.00E-06 -9.11E-07 3.95E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 5 130.85 330.01 54.97 5.59E-02 0 2.95E-06 -1.74E-06 7.94E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 10 130.9 324.43 63.83 4.62E-02 0 1.76E-06 -1.28E-06 7.18E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 15 130.95 341.83 72.59 3.24E-02 0 9.77E-07 -3.28E-07 5.36E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 20 131 348.22 72.48 2.77E-02 0 8.65E-07 -1.84E-07 4.58E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 25 131.05 346.87 74.19 2.45E-02 0 6.90E-07 -1.65E-07 4.09E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 30 131.1 341.33 73.6 2.40E-02 0 6.82E-07 -2.36E-07 4.00E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 35 131.15 333.91 64.9 2.48E-02 0 1.00E-06 -5.02E-07 3.90E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 40 131.2 341.7 62.13 2.84E-02 0 1.34E-06 -4.52E-07 4.35E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 45 131.25 338.09 80.05 2.02E-02 0 3.43E-07 -1.41E-07 3.45E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 50 131.3 320.73 81.86 1.42E-02 0 1.65E-07 -1.38E-07 2.44E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 55 131.35 354.8 62.8 1.82E-02 0 8.80E-07 -8.19E-08 2.81E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 60 131.4 348.12 59.35 2.64E-02 0 1.40E-06 -3.01E-07 3.94E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 65 131.45 340.77 75.32 2.26E-02 0 5.73E-07 -2.04E-07 3.78E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 70 131.5 357.98 77.67 1.79E-02 0 4.06E-07 -1.46E-08 3.03E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 75 131.55 354.96 61.39 2.39E-02 0 1.21E-06 -1.09E-07 3.64E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 80 131.6 352.47 68.09 2.57E-02 0 1.01E-06 -1.36E-07 4.13E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 85 131.65 356.62 67.3 2.28E-02 0 9.34E-07 -5.64E-08 3.65E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 90 131.7 342.31 70.63 2.23E-02 0 7.46E-07 -2.43E-07 3.64E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 95 131.75 304.57 70.61 1.60E-02 0 3.20E-07 -4.75E-07 2.62E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 100 131.8 336.35 65.59 1.35E-02 0 5.43E-07 -2.43E-07 2.14E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 105 131.85 337.62 68.47 1.11E-02 0 3.99E-07 -1.68E-07 1.79E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 110 131.9 329.91 77.98 8.23E-03 0 1.57E-07 -9.31E-08 1.40E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 115 131.95 357.62 72.67 8.17E-03 0 2.58E-07 -1.10E-08 1.35E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 120 132 330.86 49.48 1.79E-02 0 1.08E-06 -6.14E-07 2.36E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 125 132.05 322.31 58.27 2.51E-02 0 1.11E-06 -8.74E-07 3.70E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 130 132.1 151.17 80.05 1.38E-02 0 -2.22E-07 1.25E-07 2.36E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 135 132.15 4.74 68.17 9.84E-03 0 3.87E-07 3.28E-08 1.58E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 140 132.2 348.31 62.84 1.52E-02 0 7.23E-07 -1.53E-07 2.35E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 145 132.25 333.69 64.58 1.28E-02 0 5.23E-07 -2.65E-07 2.01E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 2 150 132.3 2.55 86.32 6.96E-03 0 4.74E-08 2.15E-09 1.20E-06 03/12/97 Yes Yes 2161 172 1061 C 15 H 3 0 132.3 346.39 56.2 6.27E-03 0 3.60E-07 -8.90E-08 9.03E-07 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 5 132.35 336.1 69.47 1.09E-02 0 3.70E-07 -1.68E-07 1.77E-06 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 10 132.4 330.79 60.52 1.60E-02 0 7.30E-07 -4.18E-07 2.42E-06 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 15 132.45 329.81 59 2.23E-02 0 1.05E-06 -6.27E-07 3.32E-06 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 20 132.5 343.9 74.12 1.69E-02 0 4.70E-07 -1.39E-07 2.81E-06 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 25 132.55 334.11 78.21 1.13E-02 0 2.20E-07 -1.09E-07 1.91E-06 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 30 132.6 337.08 71.57 9.23E-03 0 2.85E-07 -1.23E-07 1.52E-06 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 35 132.65 349.14 70.01 8.02E-03 0 2.86E-07 -5.60E-08 1.31E-06 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 40 132.7 340.82 67.52 7.44E-03 0 2.85E-07 -1.01E-07 1.19E-06 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 45 132.75 336.41 67.65 6.94E-03 0 2.57E-07 -1.15E-07 1.11E-06 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 50 132.8 324.13 79.23 5.66E-03 0 9.10E-08 -6.73E-08 9.65E-07 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 55 132.85 342.57 72.09 4.91E-03 0 1.53E-07 -4.90E-08 8.10E-07 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 60 132.9 336.62 64.11 6.38E-03 0 2.71E-07 -1.20E-07 9.95E-07 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 65 132.95 332.94 71.14 5.87E-03 0 1.79E-07 -9.36E-08 9.63E-07 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 70 133 338.85 69.32 4.99E-03 0 1.74E-07 -6.90E-08 8.10E-07 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 75 133.05 331.39 69.79 4.27E-03 0 1.37E-07 -7.65E-08 6.94E-07 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 80 133.1 324.06 71.55 3.40E-03 0 9.24E-08 -6.85E-08 5.59E-07 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 85 133.15 341.35 77.98 2.52E-03 0 5.27E-08 -1.82E-08 4.27E-07 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 90 133.2 348.63 70.68 2.13E-03 0 7.33E-08 -1.51E-08 3.48E-07 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 95 133.25 345.21 68.14 2.01E-03 0 7.67E-08 -2.07E-08 3.23E-07 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 100 133.3 331.56 59.25 2.13E-03 0 1.02E-07 -5.63E-08 3.18E-07 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 105 133.35 334.15 56.68 2.30E-03 0 1.20E-07 -5.96E-08 3.33E-07 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 110 133.4 343.04 62.08 2.94E-03 0 1.39E-07 -4.35E-08 4.50E-07 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 115 133.45 253.4 83.42 2.44E-03 0 -8.48E-09 -2.91E-08 4.21E-07 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 120 133.5 327.1 73.47 2.54E-03 0 6.44E-08 -4.26E-08 4.22E-07 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 125 133.55 129.3 71.04 2.32E-03 0 -5.06E-08 6.32E-08 3.80E-07 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 130 133.6 346.81 72.59 2.26E-03 0 6.99E-08 -1.68E-08 3.74E-07 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 135 133.65 339.94 59.56 3.55E-03 0 1.79E-07 -6.69E-08 5.31E-07 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 140 133.7 334.46 56.13 4.76E-03 0 2.54E-07 -1.24E-07 6.85E-07 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 145 133.75 340.01 54.86 5.77E-03 0 3.31E-07 -1.23E-07 8.18E-07 03/12/97 Yes Yes 2163 172 1061 C 15 H 3 150 133.8 323.06 75.39 3.49E-03 0 7.47E-08 -5.75E-08 5.86E-07 03/12/97 Yes Yes 2163 172 1061 C 15 H 4 0 133.8 344.97 49.71 4.04E-03 0 2.68E-07 -7.35E-08 5.34E-07 03/12/97 Yes Yes 2165 172 1061 C 15 H 4 5 133.85 348.37 57.47 7.81E-03 0 4.36E-07 -9.18E-08 1.14E-06 03/12/97 Yes Yes 2165 172 1061 C 15 H 4 10 133.9 339.32 67.12 7.31E-03 0 2.82E-07 -1.09E-07 1.17E-06 03/12/97 Yes Yes 2165 172 1061 C 15 H 4 15 133.95 336.47 73.31 5.81E-03 0 1.62E-07 -7.22E-08 9.65E-07 03/12/97 Yes Yes 2165 172 1061 C 15 H 4 20 134 334.13 74.62 5.36E-03 0 1.36E-07 -6.73E-08 8.97E-07 03/12/97 Yes Yes 2165 172 1061 C 15 H 4 25 134.05 357.15 68.35 6.01E-03 0 2.35E-07 -1.20E-08 9.68E-07 03/12/97 Yes Yes 2165 172 1061 C 15 H 4 30 134.1 345.49 61.43 7.49E-03 0 3.68E-07 -9.73E-08 1.14E-06 03/12/97 Yes Yes 2165 172 1061 C 15 H 4 35 134.15 334.79 63.07 7.67E-03 0 3.34E-07 -1.61E-07 1.19E-06 03/12/97 Yes Yes 2165 172 1061 C 15 H 4 40 134.2 328.76 67.53 6.46E-03 0 2.24E-07 -1.39E-07 1.03E-06 03/12/97 Yes Yes 2165 172 1061 C 15 H 4 45 134.25 328.92 68.06 5.33E-03 0 1.81E-07 -1.11E-07 8.56E-07 03/12/97 Yes Yes 2165 172 1061 C 15 H 4 50 134.3 333.65 65.39 4.83E-03 0 1.91E-07 -9.68E-08 7.61E-07 03/12/97 Yes Yes 2165 172 1061 C 15 H 4 55 134.35 346.9 61.9 5.09E-03 0 2.48E-07 -5.90E-08 7.79E-07 03/12/97 Yes Yes 2165 172 1061 C 15 H 4 60 134.4 348.91 63.5 6.17E-03 0 2.87E-07 -5.75E-08 9.58E-07 03/12/97 Yes Yes 2165 172 1061 C 15 H 4 65 134.45 328.6 67.99 5.59E-03 0 1.90E-07 -1.18E-07 8.98E-07 03/12/97 Yes Yes 2165 172 1061 C 15 H 4 70 134.5 346.12 67.31 4.68E-03 0 1.86E-07 -4.70E-08 7.49E-07 03/12/97 Yes Yes 2165 172 1061 C 15 H 4 75 134.55 350.13 67.96 4.44E-03 0 1.74E-07 -3.10E-08 7.14E-07 03/12/97 Yes Yes 2165 172 1061 C 15 H 4 80 134.6 341.77 69.57 4.29E-03 0 1.51E-07 -5.08E-08 6.97E-07 03/12/97 Yes Yes 2165 172 1061 C 15 H 4 85 134.65 6.7 64.88 4.90E-03 0 2.19E-07 2.63E-08 7.69E-07 03/12/97 Yes Yes 2165 172 1061 C 15 H 4 90 134.7 56.67 54.28 6.14E-03 0 2.09E-07 3.25E-07 8.64E-07 03/12/97 Yes Yes 2165 172 1061 C 15 H 4 95 134.75 85.04 21.08 1.50E-02 0 1.28E-07 1.51E-06 9.35E-07 03/12/97 Yes Yes 2165 172 1061 C 15 H 4 100 134.8 92.17 16.84 3.79E-02 0 -1.46E-07 3.94E-06 1.90E-06 03/12/97 Yes Yes 2165 172 1061 C 15 H 4 105 134.85 269.25 34.74 1.26E-01 0 -1.43E-07 -1.12E-05 1.24E-05 03/12/97 Yes Yes 2165 172 1061 C 15 H 4 110 134.9 271.8 41.1 6.69E-01 0 1.68E-06 -5.47E-05 7.63E-05 03/12/97 Yes Yes 2165 172 1061 C 15 H 4 115 134.95 92.76 40.36 6.78E-01 0 -2.64E-06 5.60E-05 7.61E-05 03/12/97 Yes Yes 2165 172 1061 C 15 H 4 120 135 88.44 38.98 1.14E-01 0 2.57E-07 9.63E-06 1.25E-05 03/12/97 Yes Yes 2165 172 1061 C 15 H 4 125 135.05 280.1 15.64 4.36E-02 0 7.81E-07 -4.48E-06 2.04E-06 03/12/97 Yes Yes 2165 172 1061 C 15 H 4 130 135.1 283.16 26.12 1.69E-02 0 3.66E-07 -1.60E-06 1.29E-06 03/12/97 Yes Yes 2165 172 1061 C 15 H 4 135 135.15 302.43 50.58 8.44E-03 0 3.05E-07 -4.91E-07 1.13E-06 03/12/97 Yes Yes 2165 172 1061 C 15 H 4 140 135.2 326.02 56.95 7.12E-03 0 3.42E-07 -2.35E-07 1.03E-06 03/12/97 Yes Yes 2165 172 1061 C 15 H 4 145 135.25 328.69 56.67 6.14E-03 0 3.06E-07 -1.90E-07 8.89E-07 03/12/97 Yes Yes 2165 172 1061 C 15 H 5 0 135.3 345.42 47.58 3.23E-03 0 2.24E-07 -5.95E-08 4.14E-07 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 5 135.35 344.66 51.16 7.44E-03 0 4.77E-07 -1.34E-07 1.00E-06 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 10 135.4 346.15 59.02 7.48E-03 0 3.97E-07 -1.00E-07 1.11E-06 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 15 135.45 344.08 64.55 6.51E-03 0 2.85E-07 -8.32E-08 1.02E-06 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 20 135.5 345.58 67.91 5.81E-03 0 2.24E-07 -5.90E-08 9.33E-07 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 25 135.55 343.64 62.31 6.08E-03 0 2.88E-07 -8.64E-08 9.34E-07 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 30 135.6 345.08 57.93 6.64E-03 0 3.62E-07 -9.85E-08 9.76E-07 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 35 135.65 347.88 55.54 7.53E-03 0 4.42E-07 -9.71E-08 1.08E-06 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 40 135.7 354.43 57.03 9.35E-03 0 5.37E-07 -5.35E-08 1.36E-06 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 45 135.75 358.08 67.73 1.08E-02 0 4.32E-07 -1.48E-08 1.73E-06 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 50 135.8 341.01 75 8.01E-03 0 2.08E-07 -7.32E-08 1.34E-06 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 55 135.85 354.43 74.55 6.06E-03 0 1.71E-07 -1.70E-08 1.01E-06 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 60 135.9 351.62 70.79 5.76E-03 0 1.99E-07 -3.00E-08 9.43E-07 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 65 135.95 325.31 61.28 6.65E-03 0 2.79E-07 -1.97E-07 1.01E-06 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 70 136 338.34 71.78 6.76E-03 0 2.08E-07 -8.45E-08 1.11E-06 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 75 136.05 357.51 66.68 6.36E-03 0 2.67E-07 -1.19E-08 1.01E-06 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 80 136.1 347.99 69.87 5.18E-03 0 1.85E-07 -4.02E-08 8.43E-07 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 85 136.15 326.29 82.4 3.10E-03 0 3.62E-08 -2.47E-08 5.32E-07 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 90 136.2 355.93 79.57 2.17E-03 0 4.16E-08 -3.03E-09 3.70E-07 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 95 136.25 307.42 71.44 2.16E-03 0 4.42E-08 -5.91E-08 3.54E-07 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 100 136.3 8.18 74.24 2.19E-03 0 6.25E-08 9.18E-09 3.66E-07 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 105 136.35 355.68 70.69 2.31E-03 0 8.07E-08 -6.23E-09 3.78E-07 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 110 136.4 348.12 70.08 2.34E-03 0 8.29E-08 -1.78E-08 3.82E-07 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 115 136.45 338.68 71.16 2.37E-03 0 7.56E-08 -3.02E-08 3.89E-07 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 120 136.5 346.17 65.66 2.29E-03 0 9.73E-08 -2.45E-08 3.62E-07 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 125 136.55 350.5 62.55 2.37E-03 0 1.14E-07 -1.96E-08 3.65E-07 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 130 136.6 337.87 59.73 2.83E-03 0 1.40E-07 -5.84E-08 4.24E-07 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 135 136.65 4.4 74.76 2.71E-03 0 7.55E-08 5.94E-09 4.54E-07 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 140 136.7 330.53 66.58 2.28E-03 0 8.38E-08 -4.84E-08 3.63E-07 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 145 136.75 356.93 58.66 2.27E-03 0 1.25E-07 -6.85E-09 3.36E-07 03/12/97 Yes Yes 2167 172 1061 C 15 H 5 150 136.8 328.93 80.84 1.30E-03 0 1.88E-08 -1.16E-08 2.23E-07 03/12/97 Yes Yes 2167 172 1061 C 15 H 6 0 136.8 350.67 49.56 9.70E-04 0 6.58E-08 -1.11E-08 1.28E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 5 136.85 339.46 58.76 1.79E-03 0 9.20E-08 -3.52E-08 2.65E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 10 136.9 339.11 62.07 1.93E-03 0 8.98E-08 -3.50E-08 2.96E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 15 136.95 343.23 60.5 2.11E-03 0 1.06E-07 -3.26E-08 3.19E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 20 137 342.92 60.96 2.30E-03 0 1.13E-07 -3.56E-08 3.49E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 25 137.05 348.79 66.91 2.25E-03 0 9.19E-08 -1.86E-08 3.59E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 30 137.1 351.63 69.57 2.18E-03 0 7.98E-08 -1.20E-08 3.54E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 35 137.15 337.38 66.39 2.18E-03 0 8.55E-08 -3.64E-08 3.46E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 40 137.2 340.77 66.31 2.62E-03 0 1.05E-07 -3.76E-08 4.16E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 45 137.25 30.29 77.26 2.32E-03 0 4.69E-08 2.80E-08 3.93E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 50 137.3 346.42 68.59 2.21E-03 0 8.32E-08 -2.06E-08 3.57E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 55 137.35 341.17 70.43 2.00E-03 0 6.74E-08 -2.35E-08 3.27E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 60 137.4 349.03 66.75 2.01E-03 0 8.26E-08 -1.64E-08 3.20E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 65 137.45 347.78 66 2.08E-03 0 8.76E-08 -1.94E-08 3.29E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 70 137.5 347.44 66.72 2.07E-03 0 8.48E-08 -1.93E-08 3.30E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 75 137.55 347.83 69.07 2.06E-03 0 7.62E-08 -1.68E-08 3.33E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 80 137.6 346.19 70.11 2.00E-03 0 6.99E-08 -1.76E-08 3.25E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 85 137.65 350.84 69.41 1.99E-03 0 7.32E-08 -1.21E-08 3.22E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 90 137.7 349.72 69.47 2.08E-03 0 7.61E-08 -1.41E-08 3.38E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 95 137.75 340.92 71.98 2.16E-03 0 6.70E-08 -2.37E-08 3.56E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 100 137.8 347.87 70.9 2.38E-03 0 8.07E-08 -1.77E-08 3.90E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 105 137.85 349.69 65.99 3.02E-03 0 1.28E-07 -2.39E-08 4.78E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 110 137.9 354.48 64.7 3.75E-03 0 1.69E-07 -1.67E-08 5.88E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 115 137.95 347.38 66.57 4.14E-03 0 1.70E-07 -3.90E-08 6.58E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 120 138 348.76 68.76 4.45E-03 0 1.68E-07 -3.41E-08 7.19E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 125 138.05 351.64 74.83 4.47E-03 0 1.23E-07 -1.84E-08 7.48E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 130 138.1 352.47 67.78 5.02E-03 0 2.00E-07 -2.70E-08 8.05E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 135 138.15 349.99 68 6.02E-03 0 2.36E-07 -4.25E-08 9.68E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 140 138.2 350.43 70.59 6.13E-03 0 2.13E-07 -3.67E-08 1.00E-06 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 145 138.25 351.31 69.95 5.33E-03 0 1.92E-07 -3.00E-08 8.69E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 6 150 138.3 352.73 84.91 2.96E-03 0 2.77E-08 -3.61E-09 5.12E-07 03/12/97 Yes Yes 2169 172 1061 C 15 H 7 0 138.3 346.19 51.62 2.75E-03 0 1.76E-07 -4.42E-08 3.73E-07 03/12/97 Yes Yes 2171 172 1061 C 15 H 7 5 138.35 344.46 63.01 4.95E-03 0 2.30E-07 -6.53E-08 7.65E-07 03/12/97 Yes Yes 2171 172 1061 C 15 H 7 10 138.4 345.72 70.69 4.63E-03 0 1.57E-07 -4.10E-08 7.57E-07 03/12/97 Yes Yes 2171 172 1061 C 15 H 7 15 138.45 342.08 71.71 4.06E-03 0 1.29E-07 -4.25E-08 6.69E-07 03/12/97 Yes Yes 2171 172 1061 C 15 H 7 20 138.5 342.18 69.67 4.05E-03 0 1.42E-07 -4.67E-08 6.59E-07 03/12/97 Yes Yes 2171 172 1061 C 15 H 7 25 138.55 346.57 67.52 4.31E-03 0 1.70E-07 -4.16E-08 6.91E-07 03/12/97 Yes Yes 2171 172 1061 C 15 H 7 30 138.6 349.47 64.48 4.54E-03 0 2.04E-07 -3.88E-08 7.11E-07 03/12/97 Yes Yes 2171 172 1061 C 15 H 7 35 138.65 339.84 67.42 4.23E-03 0 1.62E-07 -6.07E-08 6.76E-07 03/12/97 Yes Yes 2171 172 1061 C 15 H 7 40 138.7 215.26 78.35 2.29E-03 0 -4.00E-08 -2.89E-08 3.89E-07 03/12/97 Yes Yes 2171 172 1061 C 15 H 7 45 138.75 139.38 66.23 1.22E-03 0 -3.96E-08 3.47E-08 1.93E-07 03/12/97 Yes Yes 2171 172 1061 C 15 H 7 50 138.8 351.04 52.4 2.84E-03 0 1.81E-07 -2.92E-08 3.89E-07 03/12/97 Yes Yes 2171 172 1061 C 15 H 7 55 138.85 352.95 59.32 4.68E-03 0 2.51E-07 -3.18E-08 6.98E-07 03/12/97 Yes Yes 2171 172 1061 C 15 H 7 60 138.9 346.14 71.6 4.97E-03 0 1.61E-07 -4.07E-08 8.17E-07 03/12/97 Yes Yes 2171 172 1061 C 15 H 7 65 138.95 337.14 73.63 4.44E-03 0 1.22E-07 -5.28E-08 7.39E-07 03/12/97 Yes Yes 2171 172 1061 C 15 H 7 70 139 348.15 72.14 4.33E-03 0 1.38E-07 -2.95E-08 7.14E-07 03/12/97 Yes Yes 2171 172 1061 C 15 H 7 75 139.05 339.65 71.58 4.14E-03 0 1.30E-07 -4.94E-08 6.81E-07 03/12/97 Yes Yes 2171 172 1061 C 15 H 7 80 139.1 352.71 69.28 4.79E-03 0 1.78E-07 -2.34E-08 7.77E-07 03/12/97 Yes Yes 2171 172 1061 C 15 H 7 85 139.15 356.74 81.45 6.22E-03 0 9.80E-08 -5.70E-09 1.07E-06 03/12/97 Yes Yes 2171 172 1061 C 15 H 7 90 139.2 192.76 82.62 5.64E-03 0 -7.49E-08 -1.74E-08 9.70E-07 03/12/97 Yes Yes 2171 172 1061 C 15 H 7 95 139.25 349.81 69.32 6.12E-03 0 2.26E-07 -4.15E-08 9.93E-07 03/12/97 Yes Yes 2171 172 1061 C 15 H 7 100 139.3 18.31 80.8 4.53E-03 0 7.30E-08 2.47E-08 7.75E-07 03/12/97 Yes Yes 2171 172 1061 C 16 H 1 0 138.8 230.52 -23.99 4.26E-03 0 -2.63E-07 -3.26E-07 -3.01E-07 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 5 138.85 110.88 -23.11 3.54E-03 0 -1.23E-07 3.30E-07 -2.41E-07 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 10 138.9 47.34 60.41 3.05E-03 0 1.08E-07 1.20E-07 4.60E-07 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 15 138.95 124.42 36.9 6.32E-03 0 -3.03E-07 4.52E-07 6.57E-07 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 20 139 199.23 73.78 2.54E-03 0 -7.10E-08 -2.53E-08 4.23E-07 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 25 139.05 272.99 61.81 2.98E-03 0 7.77E-09 -1.52E-07 4.55E-07 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 30 139.1 283.8 69.13 2.93E-03 0 2.64E-08 -1.10E-07 4.75E-07 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 35 139.15 239.52 85.62 2.50E-03 0 -1.03E-08 -1.79E-08 4.32E-07 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 40 139.2 290.18 65.01 2.93E-03 0 4.53E-08 -1.26E-07 4.61E-07 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 45 139.25 316.46 77.51 3.51E-03 0 5.84E-08 -5.68E-08 5.94E-07 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 50 139.3 113.57 84.47 4.01E-03 0 -1.64E-08 3.83E-08 6.91E-07 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 55 139.35 252.58 69.12 4.09E-03 0 -4.63E-08 -1.51E-07 6.62E-07 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 60 139.4 271.47 62.52 3.81E-03 0 4.80E-09 -1.91E-07 5.87E-07 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 65 139.45 255.12 67.4 4.01E-03 0 -4.19E-08 -1.61E-07 6.41E-07 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 70 139.5 248.69 77 3.53E-03 0 -3.06E-08 -8.03E-08 5.96E-07 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 75 139.55 347.51 62.71 4.13E-03 0 1.96E-07 -4.44E-08 6.36E-07 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 80 139.6 341.66 67.72 5.87E-03 0 2.24E-07 -7.59E-08 9.41E-07 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 85 139.65 303.47 75.19 7.48E-03 0 1.12E-07 -1.73E-07 1.25E-06 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 90 139.7 299.9 80.63 7.35E-03 0 6.33E-08 -1.13E-07 1.26E-06 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 95 139.75 353.31 83.02 6.70E-03 0 8.58E-08 -1.03E-08 1.15E-06 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 100 139.8 7.42 85.89 5.89E-03 0 4.44E-08 5.91E-09 1.02E-06 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 105 139.85 262.01 84.27 6.10E-03 0 -8.98E-09 -6.54E-08 1.05E-06 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 110 139.9 1.38 79.9 7.67E-03 0 1.43E-07 3.51E-09 1.31E-06 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 115 139.95 350.65 76.18 1.12E-02 0 2.79E-07 -4.70E-08 1.88E-06 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 120 140 322.4 76.02 1.47E-02 0 2.98E-07 -2.35E-07 2.47E-06 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 125 140.05 143.54 88.35 1.31E-02 0 -3.22E-08 2.44E-08 2.27E-06 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 130 140.1 313.93 82.27 1.07E-02 0 1.06E-07 -1.13E-07 1.85E-06 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 135 140.15 333.32 76.67 1.17E-02 0 2.57E-07 -1.32E-07 1.98E-06 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 140 140.2 23.83 81.88 1.11E-02 0 1.52E-07 6.86E-08 1.90E-06 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 145 140.25 312.72 85.1 8.43E-03 0 5.18E-08 -5.74E-08 1.46E-06 03/12/97 Yes Yes 2173 172 1061 C 16 H 1 150 140.3 191.65 83.03 4.51E-03 0 -5.68E-08 -1.20E-08 7.75E-07 03/12/97 Yes Yes 2173 172 1061 C 16 H 2 0 140.3 340.67 68.4 3.82E-03 0 1.41E-07 -5.05E-08 6.16E-07 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 5 140.35 341.19 76.19 7.76E-03 0 1.86E-07 -6.47E-08 1.31E-06 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 10 140.4 337.92 79.55 9.08E-03 0 1.62E-07 -6.71E-08 1.55E-06 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 15 140.45 319.19 77.55 1.02E-02 0 1.77E-07 -1.57E-07 1.73E-06 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 20 140.5 39.07 82.29 1.09E-02 0 1.21E-07 1.00E-07 1.88E-06 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 25 140.55 23.37 79.71 1.09E-02 0 1.90E-07 8.38E-08 1.86E-06 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 30 140.6 353.44 78.21 1.25E-02 0 2.69E-07 -3.16E-08 2.12E-06 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 35 140.65 2.12 74.97 1.62E-02 0 4.46E-07 1.69E-08 2.72E-06 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 40 140.7 302.11 85.35 1.57E-02 0 7.17E-08 -1.17E-07 2.71E-06 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 45 140.75 259.47 74.2 1.19E-02 0 -6.27E-08 -3.45E-07 1.98E-06 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 50 140.8 257.06 87.54 7.92E-03 0 -8.08E-09 -3.60E-08 1.37E-06 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 55 140.85 198.22 80.31 4.62E-03 0 -7.84E-08 -2.64E-08 7.90E-07 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 60 140.9 250.28 61.01 4.12E-03 0 -7.14E-08 -2.04E-07 6.24E-07 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 65 140.95 333.39 77.48 4.68E-03 0 9.62E-08 -4.93E-08 7.92E-07 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 70 141 74.26 66.88 4.17E-03 0 4.71E-08 1.71E-07 6.64E-07 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 75 141.05 246.68 71.77 3.68E-03 0 -4.83E-08 -1.15E-07 6.06E-07 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 80 141.1 18.68 86.08 3.14E-03 0 2.15E-08 7.44E-09 5.42E-07 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 85 141.15 11.05 58.46 4.88E-03 0 2.66E-07 5.31E-08 7.21E-07 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 90 141.2 212.06 77.67 6.33E-03 0 -1.22E-07 -7.79E-08 1.07E-06 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 95 141.25 137.29 4.44 4.66E-03 0 -3.62E-07 3.42E-07 6.25E-08 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 100 141.3 319.58 6.35 3.95E-03 0 3.17E-07 -2.76E-07 7.59E-08 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 105 141.35 301.26 67.04 2.89E-03 0 6.20E-08 -1.04E-07 4.61E-07 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 110 141.4 334.38 87.62 3.69E-03 0 1.46E-08 -7.18E-09 6.40E-07 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 115 141.45 264.89 84.59 3.71E-03 0 -3.31E-09 -3.78E-08 6.41E-07 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 120 141.5 247.74 76.06 3.41E-03 0 -3.30E-08 -8.24E-08 5.74E-07 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 125 141.55 278.98 75.7 3.31E-03 0 1.35E-08 -8.77E-08 5.57E-07 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 130 141.6 6.25 76.72 3.76E-03 0 9.11E-08 1.02E-08 6.35E-07 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 135 141.65 240.29 78.98 4.21E-03 0 -4.23E-08 -7.58E-08 7.16E-07 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 140 141.7 218.39 65.06 3.41E-03 0 -1.20E-07 -9.68E-08 5.36E-07 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 145 141.75 229.15 73.9 2.67E-03 0 -5.14E-08 -6.08E-08 4.45E-07 03/12/97 Yes Yes 2175 172 1061 C 16 H 2 150 141.8 206.82 78.96 1.54E-03 0 -2.80E-08 -1.45E-08 2.63E-07 03/12/97 Yes Yes 2175 172 1061 C 16 H 3 0 141.8 296.64 80.29 1.56E-03 0 1.25E-08 -2.55E-08 2.67E-07 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 5 141.85 180.31 81.48 3.37E-03 0 -5.29E-08 -2.93E-10 5.77E-07 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 10 141.9 144.51 80.34 4.15E-03 0 -6.02E-08 4.39E-08 7.10E-07 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 15 141.95 295.13 89.29 5.42E-03 0 3.04E-09 -6.63E-09 9.40E-07 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 20 142 194.34 80.71 7.05E-03 0 -1.17E-07 -3.06E-08 1.21E-06 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 25 142.05 141.93 79.85 7.61E-03 0 -1.12E-07 8.97E-08 1.30E-06 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 30 142.1 188.28 84.39 9.42E-03 0 -9.66E-08 -1.44E-08 1.63E-06 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 35 142.15 144.24 82.29 1.03E-02 0 -1.19E-07 8.73E-08 1.76E-06 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 40 142.2 115.24 78.38 1.29E-02 0 -1.17E-07 2.55E-07 2.19E-06 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 45 142.25 167.91 77.56 1.24E-02 0 -2.77E-07 6.07E-08 2.10E-06 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 50 142.3 206.54 75.82 1.08E-02 0 -2.50E-07 -1.28E-07 1.81E-06 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 55 142.35 138.8 86.6 1.19E-02 0 -5.66E-08 5.07E-08 2.07E-06 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 60 142.4 130.39 79.92 1.70E-02 0 -2.05E-07 2.46E-07 2.90E-06 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 65 142.45 136.33 76.02 1.88E-02 0 -3.48E-07 3.40E-07 3.16E-06 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 70 142.5 175.02 76.2 1.81E-02 0 -4.57E-07 4.07E-08 3.05E-06 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 75 142.55 208.18 76.2 1.66E-02 0 -3.71E-07 -2.03E-07 2.80E-06 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 80 142.6 200.24 80.97 1.94E-02 0 -3.03E-07 -1.14E-07 3.32E-06 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 85 142.65 173.21 83.95 2.26E-02 0 -2.51E-07 3.05E-08 3.89E-06 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 90 142.7 163.39 77.49 3.17E-02 0 -6.97E-07 2.13E-07 5.36E-06 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 95 142.75 146.97 72.73 3.49E-02 0 -9.22E-07 6.13E-07 5.78E-06 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 100 142.8 129.87 78.32 2.88E-02 0 -3.96E-07 4.85E-07 4.88E-06 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 105 142.85 181.58 84.26 3.61E-02 0 -3.82E-07 -1.08E-08 6.22E-06 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 110 142.9 163.6 76.23 4.35E-02 0 -1.05E-06 3.17E-07 7.33E-06 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 115 142.95 185.78 74.86 4.45E-02 0 -1.23E-06 -1.27E-07 7.45E-06 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 120 143 184.96 73.84 4.33E-02 0 -1.27E-06 -1.13E-07 7.21E-06 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 125 143.05 183.17 79.34 4.59E-02 0 -8.99E-07 -5.08E-08 7.82E-06 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 130 143.1 169.93 70.83 6.08E-02 0 -2.09E-06 3.79E-07 9.96E-06 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 135 143.15 176.03 70.5 7.17E-02 0 -2.53E-06 1.80E-07 1.17E-05 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 140 143.2 186.48 67.99 8.27E-02 0 -3.27E-06 -3.80E-07 1.33E-05 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 145 143.25 201.64 63.06 8.96E-02 0 -4.00E-06 -1.62E-06 1.39E-05 03/12/97 Yes Yes 2177 172 1061 C 16 H 3 150 143.3 205.17 61.87 5.49E-02 0 -2.49E-06 -1.19E-06 8.40E-06 03/12/97 Yes Yes 2177 172 1061 C 16 H 4 0 143.3 289.67 65.24 2.39E-02 0 3.57E-07 -1.02E-06 3.76E-06 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 5 143.35 253.74 67.46 3.94E-02 0 -4.49E-07 -1.57E-06 6.31E-06 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 10 143.4 207.19 79.61 3.44E-02 0 -5.86E-07 -3.08E-07 5.87E-06 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 15 143.45 188.55 79.94 3.53E-02 0 -6.47E-07 -9.95E-08 6.03E-06 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 20 143.5 220.87 75.5 5.18E-02 0 -1.04E-06 -9.20E-07 8.69E-06 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 25 143.55 223.21 76.11 7.25E-02 0 -1.34E-06 -1.29E-06 1.22E-05 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 30 143.6 216.78 84.58 8.29E-02 0 -6.65E-07 -5.08E-07 1.43E-05 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 35 143.65 193.5 88.3 7.41E-02 0 -2.27E-07 -5.56E-08 1.28E-05 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 40 143.7 219.09 82.58 5.17E-02 0 -5.50E-07 -4.57E-07 8.89E-06 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 45 143.75 77.71 82.88 3.38E-02 0 9.46E-08 4.44E-07 5.82E-06 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 50 143.8 81.3 84.93 3.19E-02 0 4.52E-08 3.02E-07 5.50E-06 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 55 143.85 333.47 79.22 4.03E-02 0 7.15E-07 -3.65E-07 6.87E-06 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 60 143.9 6.17 82.06 5.58E-02 0 8.13E-07 8.99E-08 9.59E-06 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 65 143.95 305.41 81.24 5.61E-02 0 5.25E-07 -7.55E-07 9.61E-06 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 70 144 243.9 83.85 4.34E-02 0 -2.17E-07 -4.53E-07 7.48E-06 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 75 144.05 238.8 77.99 2.78E-02 0 -3.18E-07 -5.37E-07 4.72E-06 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 80 144.1 269.48 76.93 2.14E-02 0 -4.64E-09 -5.24E-07 3.61E-06 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 85 144.15 257.75 69.83 1.84E-02 0 -1.43E-07 -6.74E-07 3.00E-06 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 90 144.2 266.37 63.93 1.82E-02 0 -5.37E-08 -8.65E-07 2.83E-06 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 95 144.25 264.29 58.73 1.90E-02 0 -1.04E-07 -1.06E-06 2.82E-06 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 100 144.3 257.29 63.25 1.50E-02 0 -1.58E-07 -7.15E-07 2.32E-06 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 105 144.35 216.36 78.94 8.15E-03 0 -1.34E-07 -1.01E-07 1.39E-06 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 110 144.4 1.73 84.95 6.92E-03 0 6.46E-08 2.00E-09 1.19E-06 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 115 144.45 298.99 78.07 7.79E-03 0 8.28E-08 -1.53E-07 1.32E-06 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 120 144.5 67.72 80.39 7.82E-03 0 5.25E-08 1.31E-07 1.34E-06 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 125 144.55 329.02 76.52 1.55E-02 0 3.28E-07 -2.01E-07 2.61E-06 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 130 144.6 270.2 71.8 3.21E-02 0 3.78E-09 -1.09E-06 5.29E-06 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 135 144.65 229.1 75.26 1.95E-02 0 -3.44E-07 -4.06E-07 3.27E-06 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 140 144.7 12.1 84.49 9.66E-03 0 9.62E-08 2.11E-08 1.67E-06 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 145 144.75 287.64 84.33 6.51E-03 0 2.07E-08 -6.65E-08 1.12E-06 03/12/97 Yes Yes 2179 172 1061 C 16 H 4 150 144.8 209.49 69.64 3.03E-03 0 -9.74E-08 -5.63E-08 4.93E-07 03/12/97 Yes Yes 2179 172 1061 C 16 H 5 0 144.8 44.56 81.16 1.26E-03 0 1.46E-08 1.47E-08 2.16E-07 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 5 144.85 255.21 72.72 2.83E-03 0 -2.27E-08 -8.80E-08 4.68E-07 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 10 144.9 236.55 75.66 3.25E-03 0 -4.70E-08 -7.28E-08 5.46E-07 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 15 144.95 270.57 79.08 3.55E-03 0 7.15E-10 -7.29E-08 6.04E-07 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 20 145 197.62 84.01 4.16E-03 0 -4.39E-08 -1.42E-08 7.17E-07 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 25 145.05 160.04 81.73 3.62E-03 0 -5.19E-08 1.93E-08 6.21E-07 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 30 145.1 227.9 82.75 3.41E-03 0 -3.06E-08 -3.46E-08 5.86E-07 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 35 145.15 217.06 83.43 3.27E-03 0 -3.16E-08 -2.44E-08 5.62E-07 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 40 145.2 188.4 85.71 3.12E-03 0 -2.45E-08 -3.70E-09 5.40E-07 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 45 145.25 212.74 83.6 3.38E-03 0 -3.36E-08 -2.21E-08 5.83E-07 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 50 145.3 239.19 80.64 3.46E-03 0 -3.06E-08 -5.24E-08 5.92E-07 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 55 145.35 220.02 79.45 3.51E-03 0 -5.22E-08 -4.48E-08 5.98E-07 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 60 145.4 207.17 81.7 3.50E-03 0 -4.76E-08 -2.50E-08 6.00E-07 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 65 145.45 219.39 83.06 3.66E-03 0 -3.62E-08 -3.04E-08 6.29E-07 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 70 145.5 273.42 82.4 3.92E-03 0 3.28E-09 -5.61E-08 6.73E-07 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 75 145.55 251.43 87.06 3.80E-03 0 -6.58E-09 -2.00E-08 6.57E-07 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 80 145.6 350.11 84.57 3.61E-03 0 3.57E-08 -6.37E-09 6.23E-07 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 85 145.65 203.56 87.08 3.80E-03 0 -1.88E-08 -8.39E-09 6.58E-07 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 90 145.7 181.33 83.07 3.57E-03 0 -4.56E-08 -1.09E-09 6.14E-07 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 95 145.75 294.12 76.49 3.92E-03 0 3.97E-08 -9.08E-08 6.62E-07 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 100 145.8 236.69 70.52 4.72E-03 0 -9.17E-08 -1.43E-07 7.72E-07 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 105 145.85 225.77 74.67 4.69E-03 0 -9.16E-08 -9.63E-08 7.84E-07 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 110 145.9 233.67 78.62 4.80E-03 0 -5.95E-08 -8.27E-08 8.16E-07 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 115 145.95 279.63 80.06 5.50E-03 0 1.68E-08 -1.01E-07 9.39E-07 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 120 146 278.61 79.31 6.12E-03 0 1.80E-08 -1.22E-07 1.04E-06 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 125 146.05 299.47 71.59 6.34E-03 0 1.05E-07 -1.89E-07 1.04E-06 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 130 146.1 327.17 43.76 9.78E-03 0 6.30E-07 -4.15E-07 1.17E-06 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 135 146.15 331.24 19.95 2.76E-02 0 2.41E-06 -1.35E-06 1.63E-06 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 140 146.2 330.84 8.08 6.08E-02 0 5.58E-06 -3.18E-06 1.48E-06 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 145 146.25 165.33 -4.95 1.27E-01 0 -1.30E-05 3.48E-06 -1.91E-06 03/12/97 Yes Yes 2181 172 1061 C 16 H 5 150 146.3 152.92 0.57 4.87E-01 0 -4.60E-05 2.41E-05 8.37E-07 03/12/97 Yes Yes 2181 172 1061 C 16 H 6 0 146.3 59.97 19.43 1.39E-02 0 6.96E-07 1.23E-06 8.02E-07 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 5 146.35 54.64 58.16 8.87E-03 0 2.87E-07 4.14E-07 1.31E-06 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 10 146.4 238.02 72.66 9.99E-03 0 -1.67E-07 -2.74E-07 1.65E-06 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 15 146.45 275.77 78.01 7.79E-03 0 1.73E-08 -1.75E-07 1.32E-06 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 20 146.5 339.17 81.75 8.10E-03 0 1.15E-07 -4.49E-08 1.39E-06 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 25 146.55 119.84 85.94 7.74E-03 0 -2.89E-08 5.15E-08 1.34E-06 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 30 146.6 233.45 85.31 7.79E-03 0 -4.03E-08 -5.56E-08 1.35E-06 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 35 146.65 158.16 87.8 8.71E-03 0 -3.29E-08 1.35E-08 1.51E-06 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 40 146.7 352.69 84.88 1.29E-02 0 1.21E-07 -1.59E-08 2.23E-06 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 45 146.75 288.45 74 2.39E-02 0 2.21E-07 -6.77E-07 3.98E-06 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 50 146.8 283.62 78.72 3.89E-02 0 1.90E-07 -8.01E-07 6.61E-06 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 55 146.85 341.58 83.22 6.94E-02 0 8.25E-07 -2.81E-07 1.19E-05 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 60 146.9 241.93 80.88 8.08E-02 0 -6.39E-07 -1.23E-06 1.38E-05 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 65 146.95 274.39 76.8 7.68E-02 0 1.42E-07 -1.90E-06 1.30E-05 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 70 147 308.54 82.23 7.47E-02 0 6.67E-07 -8.56E-07 1.28E-05 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 75 147.05 174.27 79.11 5.72E-02 0 -1.14E-06 1.17E-07 9.73E-06 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 80 147.1 174.75 71.89 2.20E-02 0 -7.23E-07 6.79E-08 3.63E-06 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 85 147.15 22.06 80.41 9.33E-03 0 1.53E-07 6.33E-08 1.60E-06 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 90 147.2 215.05 88.7 6.00E-03 0 -1.18E-08 -8.47E-09 1.04E-06 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 95 147.25 250.94 83.69 4.30E-03 0 -1.64E-08 -4.85E-08 7.41E-07 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 100 147.3 293.67 83.59 4.00E-03 0 1.90E-08 -4.44E-08 6.89E-07 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 105 147.35 351.14 68.92 6.15E-03 0 2.32E-07 -3.70E-08 9.95E-07 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 110 147.4 0.79 85.24 9.26E-03 0 8.15E-08 1.15E-09 1.60E-06 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 115 147.45 206.79 78.39 6.72E-03 0 -1.28E-07 -6.62E-08 1.14E-06 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 120 147.5 275.97 74.92 4.92E-03 0 1.41E-08 -1.38E-07 8.23E-07 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 125 147.55 306.08 78.21 5.00E-03 0 6.38E-08 -8.95E-08 8.48E-07 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 130 147.6 301.57 81.88 5.92E-03 0 4.65E-08 -7.74E-08 1.02E-06 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 135 147.65 155.9 79.09 5.81E-03 0 -1.06E-07 4.87E-08 9.90E-07 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 140 147.7 123.6 61.73 4.94E-03 0 -1.37E-07 2.11E-07 7.54E-07 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 145 147.75 2.34 41.44 8.52E-03 0 6.77E-07 2.83E-08 9.78E-07 03/12/97 Yes Yes 2183 172 1061 C 16 H 6 150 147.8 292.05 19.31 2.45E-02 0 9.19E-07 -2.32E-06 1.40E-06 03/12/97 Yes Yes 2183 172 1061 C 16 H 7 0 147.8 2.88 68.32 2.63E-03 0 1.03E-07 5.28E-09 4.23E-07 03/12/97 Yes Yes 2185 172 1061 C 16 H 7 5 147.85 344.17 67.43 9.28E-03 0 3.64E-07 -1.05E-07 1.49E-06 03/12/97 Yes Yes 2185 172 1061 C 16 H 7 10 147.9 36.96 85.42 1.74E-02 0 1.18E-07 9.06E-08 3.01E-06 03/12/97 Yes Yes 2185 172 1061 C 16 H 7 15 147.95 188.14 63.64 1.20E-02 0 -5.61E-07 -8.20E-08 1.87E-06 03/12/97 Yes Yes 2185 172 1061 C 16 H 7 20 148 211.68 67.37 5.51E-03 0 -1.91E-07 -1.21E-07 8.82E-07 03/12/97 Yes Yes 2185 172 1061 C 16 H 7 25 148.05 351.23 80.86 3.35E-03 0 5.58E-08 -8.80E-09 5.74E-07 03/12/97 Yes Yes 2185 172 1061 C 16 H 7 30 148.1 60.54 59.52 4.33E-03 0 1.15E-07 2.07E-07 6.47E-07 03/12/97 Yes Yes 2185 172 1061 C 16 H 7 35 148.15 20.57 65.92 3.89E-03 0 1.58E-07 6.05E-08 6.16E-07 03/12/97 Yes Yes 2185 172 1061 C 16 H 7 40 148.2 13.17 70.49 6.78E-03 0 2.34E-07 5.60E-08 1.11E-06 03/12/97 Yes Yes 2185 172 1061 C 16 H 7 45 148.25 164.84 61.89 6.17E-03 0 -2.98E-07 8.25E-08 9.44E-07 03/12/97 Yes Yes 2185 172 1061 C 17 H 1 0 148.3 272.6 33.44 5.40E-02 0 2.16E-07 -4.88E-06 5.16E-06 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 5 148.35 250.68 22.85 1.42E-01 0 -4.58E-06 -1.33E-05 9.53E-06 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 10 148.4 259.12 27.47 2.12E-01 0 -3.77E-06 -2.00E-05 1.69E-05 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 15 148.45 39.49 35.61 8.26E-01 0 5.50E-05 4.63E-05 8.33E-05 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 20 148.5 87.63 46.97 1.86E+00 0 5.56E-06 1.37E-04 2.35E-04 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 25 148.55 244.7 43.48 1.63E+00 0 -5.36E-05 -1.16E-04 1.94E-04 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 30 148.6 158.67 68.72 3.28E-01 0 -1.18E-05 4.70E-06 5.31E-05 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 35 148.65 92.5 -4.32 3.35E-01 0 -1.54E-06 3.62E-05 -4.38E-06 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 40 148.7 83.21 -16.57 2.51E-01 0 3.01E-06 2.59E-05 -1.24E-05 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 45 148.75 87.68 -19.23 2.20E-01 0 8.90E-07 2.25E-05 -1.25E-05 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 50 148.8 87.52 -20.16 2.00E-01 0 8.62E-07 2.03E-05 -1.20E-05 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 55 148.85 88.8 -17.19 1.99E-01 0 4.22E-07 2.06E-05 -1.02E-05 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 60 148.9 91.67 -19.12 1.95E-01 0 -5.69E-07 2.00E-05 -1.11E-05 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 65 148.95 89.37 -19.98 1.80E-01 0 1.98E-07 1.84E-05 -1.07E-05 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 70 149 86.95 -18.74 1.65E-01 0 8.80E-07 1.69E-05 -9.18E-06 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 75 149.05 92.99 -16.4 1.51E-01 0 -8.00E-07 1.57E-05 -7.37E-06 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 80 149.1 94.73 -16.06 1.43E-01 0 -1.20E-06 1.49E-05 -6.87E-06 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 85 149.15 66.1 0.68 2.17E-01 0 9.33E-06 2.15E-05 4.45E-07 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 90 149.2 74.54 42.33 2.29E-01 0 4.78E-06 1.77E-05 2.67E-05 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 95 149.25 185.79 21.81 1.37E-01 0 -1.34E-05 -1.39E-06 8.81E-06 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 100 149.3 94.16 -9.45 1.05E-01 0 -7.97E-07 1.12E-05 -2.99E-06 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 105 149.35 84.97 -11.05 1.17E-01 0 1.06E-06 1.24E-05 -3.88E-06 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 110 149.4 81.59 -0.3 1.17E-01 0 1.82E-06 1.26E-05 -1.05E-07 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 115 149.45 93.6 4.61 7.32E-02 0 -4.86E-07 7.90E-06 1.02E-06 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 120 149.5 96.85 -1.85 8.47E-02 0 -1.07E-06 9.12E-06 -4.73E-07 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 125 149.55 93.74 -6.46 7.38E-02 0 -5.07E-07 7.93E-06 -1.44E-06 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 130 149.6 91.32 -14.25 5.57E-02 0 -1.32E-07 5.85E-06 -2.38E-06 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 135 149.65 90.38 -18.48 5.38E-02 0 -3.61E-08 5.54E-06 -2.96E-06 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 140 149.7 81.57 -14.05 5.08E-02 0 7.67E-07 5.29E-06 -2.14E-06 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 145 149.75 89.11 -1.93 4.05E-02 0 6.67E-08 4.39E-06 -2.37E-07 03/12/97 Yes Yes 2187 172 1061 C 17 H 1 150 149.8 102.94 -12.33 2.92E-02 0 -6.78E-07 3.02E-06 -1.08E-06 03/12/97 Yes Yes 2187 172 1061 C 17 H 2 0 149.8 27.1 27.5 4.48E-03 0 3.75E-07 1.96E-07 3.59E-07 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 5 149.85 112.28 68.17 6.17E-03 0 -9.23E-08 2.30E-07 9.93E-07 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 10 149.9 193.41 38.91 4.03E-03 0 -3.23E-07 -7.88E-08 4.38E-07 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 15 149.95 62.71 86.32 1.48E-03 0 4.61E-09 9.13E-09 2.55E-07 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 20 150 347.22 82.5 2.13E-03 0 2.87E-08 -6.66E-09 3.65E-07 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 25 150.05 348.75 73.08 4.59E-03 0 1.39E-07 -2.82E-08 7.61E-07 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 30 150.1 351.63 63.57 9.06E-03 0 4.23E-07 -6.36E-08 1.41E-06 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 35 150.15 329.48 69.19 1.39E-02 0 4.53E-07 -2.73E-07 2.26E-06 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 40 150.2 303.32 70.9 1.80E-02 0 3.42E-07 -5.33E-07 2.94E-06 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 45 150.25 348.27 77.53 2.25E-02 0 5.04E-07 -1.07E-07 3.80E-06 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 50 150.3 349.54 76.94 2.30E-02 0 5.41E-07 -1.02E-07 3.88E-06 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 55 150.35 334.35 78.03 2.28E-02 0 4.51E-07 -2.22E-07 3.86E-06 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 60 150.4 356.79 79.48 2.20E-02 0 4.26E-07 -2.44E-08 3.75E-06 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 65 150.45 356.59 73.97 2.50E-02 0 7.31E-07 -4.45E-08 4.17E-06 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 70 150.5 336.17 76.54 2.81E-02 0 6.36E-07 -2.87E-07 4.75E-06 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 75 150.55 327.65 73.39 3.02E-02 0 7.74E-07 -5.01E-07 5.02E-06 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 80 150.6 290.99 71.57 2.90E-02 0 3.48E-07 -9.27E-07 4.77E-06 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 85 150.65 303.45 75.91 2.19E-02 0 3.11E-07 -4.82E-07 3.68E-06 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 90 150.7 354.91 71.11 2.25E-02 0 7.71E-07 -7.02E-08 3.70E-06 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 95 150.75 357.25 71.18 2.50E-02 0 8.56E-07 -4.20E-08 4.11E-06 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 100 150.8 358.71 75.31 2.77E-02 0 7.44E-07 -1.72E-08 4.64E-06 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 105 150.85 70.5 88.88 2.27E-02 0 1.57E-08 4.54E-08 3.94E-06 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 110 150.9 102.14 86.6 1.42E-02 0 -1.88E-08 8.96E-08 2.46E-06 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 115 150.95 5.85 81.51 1.15E-02 0 1.79E-07 1.88E-08 1.97E-06 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 120 151 343.85 84.96 9.49E-03 0 8.50E-08 -2.52E-08 1.64E-06 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 125 151.05 35.94 83.68 7.60E-03 0 7.19E-08 5.33E-08 1.31E-06 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 130 151.1 331.65 87.87 5.85E-03 0 2.03E-08 -1.12E-08 1.01E-06 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 135 151.15 334.08 70.21 6.62E-03 0 2.14E-07 -1.06E-07 1.08E-06 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 140 151.2 330.45 74.29 8.69E-03 0 2.17E-07 -1.26E-07 1.45E-06 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 145 151.25 37.68 84.01 7.06E-03 0 6.18E-08 4.88E-08 1.22E-06 03/12/97 Yes Yes 2189 172 1061 C 17 H 2 150 151.3 144.03 75.64 3.37E-03 0 -7.18E-08 5.33E-08 5.66E-07 03/12/97 Yes Yes 2189 172 1061 C 17 H 3 0 151.3 358.58 52.05 1.62E-03 0 1.06E-07 -2.67E-09 2.21E-07 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 5 151.35 341.39 68.91 3.84E-03 0 1.39E-07 -4.78E-08 6.20E-07 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 10 151.4 311.13 75.9 4.37E-03 0 7.44E-08 -8.70E-08 7.35E-07 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 15 151.45 290.74 77.97 4.47E-03 0 3.50E-08 -9.46E-08 7.59E-07 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 20 151.5 349.45 69.56 6.49E-03 0 2.36E-07 -4.50E-08 1.05E-06 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 25 151.55 353.35 70.86 1.00E-02 0 3.47E-07 -4.13E-08 1.64E-06 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 30 151.6 337.57 67.93 1.35E-02 0 4.99E-07 -2.11E-07 2.18E-06 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 35 151.65 339.69 70.39 1.74E-02 0 5.79E-07 -2.19E-07 2.83E-06 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 40 151.7 340.55 75.42 1.87E-02 0 4.72E-07 -1.70E-07 3.14E-06 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 45 151.75 348.02 76.18 1.68E-02 0 4.17E-07 -9.05E-08 2.83E-06 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 50 151.8 339.46 64.11 1.94E-02 0 8.42E-07 -3.23E-07 3.03E-06 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 55 151.85 324.28 71.71 1.89E-02 0 5.11E-07 -3.76E-07 3.11E-06 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 60 151.9 334.28 79.44 1.64E-02 0 2.87E-07 -1.41E-07 2.79E-06 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 65 151.95 356.46 72.9 1.61E-02 0 5.01E-07 -3.17E-08 2.67E-06 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 70 152 336.24 71.79 1.72E-02 0 5.23E-07 -2.35E-07 2.84E-06 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 75 152.05 326.06 82.58 1.34E-02 0 1.53E-07 -1.05E-07 2.31E-06 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 80 152.1 4.53 68.18 1.34E-02 0 5.27E-07 4.27E-08 2.16E-06 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 85 152.15 10.77 80.23 1.31E-02 0 2.32E-07 4.50E-08 2.24E-06 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 90 152.2 335.85 63.28 1.56E-02 0 6.77E-07 -3.11E-07 2.41E-06 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 95 152.25 317.49 70.15 1.89E-02 0 5.01E-07 -4.70E-07 3.08E-06 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 100 152.3 330.17 66.91 1.96E-02 0 7.07E-07 -4.14E-07 3.13E-06 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 105 152.35 330.35 72.09 2.23E-02 0 6.32E-07 -3.68E-07 3.68E-06 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 110 152.4 327.28 80.36 1.97E-02 0 2.94E-07 -1.93E-07 3.36E-06 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 115 152.45 330.98 77.92 1.88E-02 0 3.66E-07 -2.07E-07 3.19E-06 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 120 152.5 322.17 72.95 2.11E-02 0 5.18E-07 -4.12E-07 3.50E-06 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 125 152.55 284.64 77.43 2.10E-02 0 1.23E-07 -4.80E-07 3.55E-06 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 130 152.6 311.87 81.43 1.95E-02 0 2.06E-07 -2.35E-07 3.35E-06 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 135 152.65 18.78 75.62 2.40E-02 0 5.99E-07 2.08E-07 4.04E-06 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 140 152.7 6.34 79.57 2.71E-02 0 5.17E-07 5.87E-08 4.62E-06 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 145 152.75 317.43 70.65 2.99E-02 0 7.74E-07 -7.27E-07 4.89E-06 03/12/97 Yes Yes 2191 172 1061 C 17 H 3 150 152.8 294.47 80.81 2.24E-02 0 1.57E-07 -3.52E-07 3.83E-06 03/12/97 Yes Yes 2191 172 1061 C 17 H 4 0 152.8 336.9 54.16 2.07E-02 0 1.18E-06 -5.15E-07 2.90E-06 03/12/97 Yes Yes 2195 172 1061 C 17 H 4 5 152.85 316.56 72.58 3.18E-02 0 7.34E-07 -7.11E-07 5.26E-06 03/12/97 Yes Yes 2195 172 1061 C 17 H 4 10 152.9 328.01 74.67 2.69E-02 0 6.40E-07 -4.09E-07 4.50E-06 03/12/97 Yes Yes 2195 172 1061 C 17 H 4 15 152.95 347.92 70.41 2.79E-02 0 9.71E-07 -2.12E-07 4.56E-06 03/12/97 Yes Yes 2195 172 1061 C 17 H 4 20 153 342.04 68.89 3.06E-02 0 1.11E-06 -3.69E-07 4.95E-06 03/12/97 Yes Yes 2195 172 1061 C 17 H 4 25 153.05 336.93 66.61 3.11E-02 0 1.20E-06 -5.24E-07 4.95E-06 03/12/97 Yes Yes 2195 172 1061 C 17 H 4 30 153.1 341.44 64.56 2.98E-02 0 1.29E-06 -4.42E-07 4.67E-06 03/12/97 Yes Yes 2195 172 1061 C 17 H 4 35 153.15 337.77 60.72 3.15E-02 0 1.51E-06 -6.31E-07 4.76E-06 03/12/97 Yes Yes 2195 172 1061 C 17 H 4 40 153.2 325.76 59.37 3.22E-02 0 1.44E-06 -1.00E-06 4.80E-06 03/12/97 Yes Yes 2195 172 1061 C 17 H 4 45 153.25 322.83 48.55 3.34E-02 0 1.87E-06 -1.45E-06 4.34E-06 03/12/97 Yes Yes 2195 172 1061 C 17 H 4 50 153.3 328.37 48.99 3.22E-02 0 1.91E-06 -1.20E-06 4.21E-06 03/12/97 Yes Yes 2195 172 1061 C 17 H 4 55 153.35 327.44 56.63 3.22E-02 0 1.59E-06 -1.04E-06 4.67E-06 03/12/97 Yes Yes 2195 172 1061 C 17 H 4 60 153.4 338.17 56.7 3.64E-02 0 1.97E-06 -8.05E-07 5.27E-06 03/12/97 Yes Yes 2195 172 1061 C 17 H 4 65 153.45 344.92 51.97 4.72E-02 0 2.98E-06 -8.20E-07 6.44E-06 03/12/97 Yes Yes 2195 172 1061 C 17 H 4 70 153.5 332.36 57.22 4.74E-02 0 2.41E-06 -1.29E-06 6.92E-06 03/12/97 Yes Yes 2195 172 1061 C 17 H 4 75 153.55 333.13 57.96 4.75E-02 0 2.38E-06 -1.23E-06 6.98E-06 03/12/97 Yes Yes 2195 172 1061 C 17 H 4 80 153.6 320.49 65.82 4.22E-02 0 1.41E-06 -1.19E-06 6.68E-06 03/12/97 Yes Yes 2195 172 1061 C 17 H 4 85 153.65 327.15 55.87 4.08E-02 0 2.04E-06 -1.35E-06 5.86E-06 03/12/97 Yes Yes 2195 172 1061 C 17 H 4 90 153.7 331.82 48.5 5.59E-02 0 3.46E-06 -1.90E-06 7.26E-06 03/12/97 Yes Yes 2195 172 1061 C 17 H 4 95 153.75 332.61 57.83 5.50E-02 0 2.76E-06 -1.46E-06 8.08E-06 03/12/97 Yes Yes 2195 172 1061 C 17 H 4 100 153.8 339.69 62.25 5.38E-02 0 2.49E-06 -9.43E-07 8.25E-06 03/12/97 Yes Yes 2195 172 1061 C 17 H 4 105 153.85 332.86 52.98 5.72E-02 0 3.25E-06 -1.70E-06 7.92E-06 03/12/97 Yes Yes 2195 172 1061 C 17 H 4 110 153.9 329.59 57.26 5.18E-02 0 2.56E-06 -1.54E-06 7.55E-06 03/12/97 Yes Yes 2195 172 1061 C 17 H 4 115 153.95 320.77 60.54 4.36E-02 0 1.76E-06 -1.47E-06 6.59E-06 03/12/97 Yes Yes 2195 172 1061 C 17 H 4 120 154 326.47 64.52 3.60E-02 0 1.37E-06 -9.29E-07 5.64E-06 03/12/97 Yes Yes 2195 172 1061 C 17 H 4 125 154.05 334.11 44.57 3.95E-02 0 2.68E-06 -1.33E-06 4.80E-06 03/12/97 Yes Yes 2195 172 1061 C 17 H 4 130 154.1 337.81 50.37 2.61E-02 0 1.63E-06 -6.82E-07 3.48E-06 03/12/97 Yes Yes 2195 172 1061 C 17 H 5 0 154.1 6.82 30.2 1.70E-02 0 1.55E-06 1.89E-07 1.48E-06 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 5 154.15 22.21 37.43 3.85E-02 0 3.00E-06 1.25E-06 4.05E-06 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 10 154.2 23.76 43.23 4.89E-02 0 3.46E-06 1.56E-06 5.80E-06 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 15 154.25 16.26 55.85 4.38E-02 0 2.50E-06 7.46E-07 6.28E-06 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 20 154.3 39.69 58.42 4.10E-02 0 1.75E-06 1.49E-06 6.06E-06 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 25 154.35 11.28 66.27 4.35E-02 0 1.82E-06 3.72E-07 6.91E-06 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 30 154.4 9.1 63.85 5.08E-02 0 2.34E-06 3.84E-07 7.91E-06 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 35 154.45 356.45 62.72 4.88E-02 0 2.37E-06 -1.50E-07 7.52E-06 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 40 154.5 3.71 75.44 2.70E-02 0 7.18E-07 4.77E-08 4.53E-06 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 45 154.55 3.52 80.7 1.25E-02 0 2.14E-07 1.35E-08 2.14E-06 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 50 154.6 27.6 53.67 1.38E-02 0 7.70E-07 4.11E-07 1.93E-06 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 55 154.65 353.65 79.5 2.23E-02 0 4.29E-07 -4.89E-08 3.81E-06 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 60 154.7 335.83 76.91 2.93E-02 0 6.43E-07 -2.95E-07 4.95E-06 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 65 154.75 13.28 73.56 3.12E-02 0 9.12E-07 2.20E-07 5.19E-06 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 70 154.8 69.88 72.29 3.02E-02 0 3.35E-07 9.35E-07 4.99E-06 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 75 154.85 269.56 64.47 1.62E-02 0 -5.73E-09 -7.55E-07 2.53E-06 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 80 154.9 87.16 61.93 7.70E-03 0 1.91E-08 3.93E-07 1.18E-06 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 85 154.95 250.24 79.81 6.48E-03 0 -4.11E-08 -1.17E-07 1.11E-06 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 90 155 44.42 68.68 7.35E-03 0 2.03E-07 2.03E-07 1.19E-06 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 95 155.05 324.9 54.48 9.52E-03 0 4.80E-07 -3.45E-07 1.34E-06 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 100 155.1 338.01 58.27 1.16E-02 0 5.99E-07 -2.47E-07 1.71E-06 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 105 155.15 98.37 18.15 3.70E-02 0 -5.42E-07 3.77E-06 2.00E-06 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 110 155.2 96.01 47.37 6.62E-02 0 -4.98E-07 4.84E-06 8.44E-06 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 115 155.25 284.93 30.67 5.92E-02 0 1.39E-06 -5.34E-06 5.24E-06 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 120 155.3 82.15 42.95 1.41E-02 0 1.49E-07 1.11E-06 1.66E-06 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 125 155.35 26.1 80.8 1.52E-02 0 2.31E-07 1.16E-07 2.60E-06 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 130 155.4 72.45 49.93 6.80E-03 0 1.40E-07 4.53E-07 9.03E-07 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 135 155.45 79.63 54.18 8.21E-03 0 9.17E-08 5.13E-07 1.15E-06 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 140 155.5 340.81 66.23 5.06E-03 0 2.04E-07 -7.28E-08 8.03E-07 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 145 155.55 4.37 73.65 4.40E-03 0 1.31E-07 1.02E-08 7.32E-07 03/12/97 Yes Yes 2197 172 1061 C 17 H 5 150 155.6 191.41 76.15 2.34E-03 0 -5.82E-08 -1.20E-08 3.93E-07 03/12/97 Yes Yes 2197 172 1061 C 17 H 6 0 155.6 349.14 49.4 1.36E-03 0 9.23E-08 -1.81E-08 1.79E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 6 5 155.65 12.32 55.84 3.28E-03 0 1.91E-07 4.26E-08 4.71E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 6 10 155.7 21.25 63.09 4.02E-03 0 1.80E-07 7.16E-08 6.22E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 6 15 155.75 14.89 69.85 4.08E-03 0 1.44E-07 3.92E-08 6.65E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 6 20 155.8 10.18 73.3 3.81E-03 0 1.14E-07 2.10E-08 6.33E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 6 25 155.85 21.76 71.91 3.31E-03 0 1.01E-07 4.14E-08 5.46E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 6 30 155.9 19.35 71.9 3.05E-03 0 9.47E-08 3.40E-08 5.02E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 6 35 155.95 5.84 71.75 2.93E-03 0 9.68E-08 1.01E-08 4.82E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 6 40 156 4.52 72.13 2.90E-03 0 9.41E-08 7.61E-09 4.79E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 6 45 156.05 1.61 70.63 3.09E-03 0 1.09E-07 3.13E-09 5.06E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 6 50 156.1 8.02 73.9 3.19E-03 0 9.28E-08 1.34E-08 5.31E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 6 55 156.15 4.5 76.56 3.19E-03 0 7.85E-08 6.32E-09 5.39E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 6 60 156.2 17.03 77.5 3.24E-03 0 7.11E-08 2.23E-08 5.48E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 6 65 156.25 34.61 78.35 3.03E-03 0 5.35E-08 3.77E-08 5.15E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 6 70 156.3 14.81 80.01 2.79E-03 0 4.96E-08 1.34E-08 4.76E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 6 75 156.35 6.31 76.05 2.70E-03 0 6.86E-08 7.76E-09 4.54E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 6 80 156.4 11.57 72.88 2.71E-03 0 8.28E-08 1.73E-08 4.48E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 6 85 156.45 10.45 76.05 2.60E-03 0 6.55E-08 1.24E-08 4.38E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 6 90 156.5 5.82 76.62 2.46E-03 0 6.00E-08 6.26E-09 4.15E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 6 95 156.55 13.11 76.07 2.44E-03 0 6.08E-08 1.45E-08 4.11E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 6 100 156.6 359.44 72.65 2.60E-03 0 8.23E-08 -8.19E-10 4.30E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 6 105 156.65 7.87 77.37 2.78E-03 0 6.38E-08 9.01E-09 4.70E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 6 110 156.7 2.83 85.44 2.21E-03 0 1.86E-08 9.40E-10 3.81E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 6 115 156.75 321.64 73.51 1.91E-03 0 4.50E-08 -3.64E-08 3.17E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 6 120 156.8 330.83 75 1.96E-03 0 4.69E-08 -2.68E-08 3.27E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 6 125 156.85 329.42 79.68 2.13E-03 0 3.49E-08 -2.11E-08 3.64E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 6 130 156.9 352.88 77.31 2.63E-03 0 6.08E-08 -7.78E-09 4.45E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 6 135 156.95 13.33 68.21 3.78E-03 0 1.45E-07 3.51E-08 6.09E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 6 140 157 357.92 64.76 5.71E-03 0 2.58E-07 -9.61E-09 8.96E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 6 145 157.05 345.5 84.36 4.21E-03 0 4.25E-08 -1.12E-08 7.26E-07 03/12/97 Yes Yes 2201 172 1061 C 17 H 7 0 157.1 7.15 52.6 5.64E-05 0 3.61E-09 4.63E-10 7.77E-09 03/12/97 Yes Yes 2204 172 1061 C 17 H 7 5 157.15 58.7 43.19 2.20E-04 0 8.84E-09 1.49E-08 2.61E-08 03/12/97 Yes Yes 2204 172 1061 C 17 H 7 10 157.2 57.43 53.73 2.18E-04 0 7.38E-09 1.18E-08 3.05E-08 03/12/97 Yes Yes 2204 172 1061 C 17 H 7 15 157.25 46.35 39.94 2.60E-04 0 1.46E-08 1.57E-08 2.90E-08 03/12/97 Yes Yes 2204 172 1061 C 17 H 7 20 157.3 49.69 48.36 2.39E-04 0 1.09E-08 1.31E-08 3.09E-08 03/12/97 Yes Yes 2204 172 1061 C 17 H 7 25 157.35 48.8 53.54 2.13E-04 0 8.82E-09 1.03E-08 2.96E-08 03/12/97 Yes Yes 2204 172 1061 C 17 H 7 30 157.4 63.35 40.24 2.74E-04 0 9.94E-09 2.03E-08 3.07E-08 03/12/97 Yes Yes 2204 172 1061 C 17 H 7 35 157.45 48.75 48.65 2.33E-04 0 1.08E-08 1.25E-08 3.03E-08 03/12/97 Yes Yes 2204 172 1061 C 17 H 7 40 157.5 58.57 38.25 2.54E-04 0 1.10E-08 1.85E-08 2.73E-08 03/12/97 Yes Yes 2204 172 1061 C 17 H 7 45 157.55 63.7 34.1 2.73E-04 0 1.06E-08 2.20E-08 2.66E-08 03/12/97 Yes Yes 2204 172 1061 C 17 H 7 50 157.6 100.32 39.62 2.67E-04 0 -3.90E-09 2.19E-08 2.95E-08 03/12/97 Yes Yes 2204 172 1061 C 17 H 7 55 157.65 113.89 32.98 2.63E-04 0 -9.49E-09 2.19E-08 2.48E-08 03/12/97 Yes Yes 2204 172 1061 C 17 H 7 60 157.7 77.54 33.54 1.73E-04 0 3.30E-09 1.52E-08 1.65E-08 03/12/97 Yes Yes 2204 172 1061 C 17 H 7 65 157.75 64.17 33.14 1.76E-04 0 6.80E-09 1.44E-08 1.67E-08 03/12/97 Yes Yes 2204 172 1061 C 17 H 7 70 157.8 57.45 31.72 2.44E-04 0 1.19E-08 1.90E-08 2.23E-08 03/12/97 Yes Yes 2204 172 1061 C 17 H 7 75 157.85 43.39 50.61 3.12E-04 0 1.53E-08 1.48E-08 4.19E-08 03/12/97 Yes Yes 2204 172 1061 C 17 H 7 80 157.9 105.45 75.15 2.93E-04 0 -2.12E-09 7.84E-09 4.90E-08 03/12/97 Yes Yes 2204 172 1061 C 18 H 1 0 157.8 83.79 37.75 1.59E-03 0 1.44E-08 1.35E-07 1.68E-07 03/12/97 Yes Yes 2207 172 1061 C 18 H 1 5 157.85 309.95 35.55 7.67E-03 0 4.25E-07 -5.19E-07 7.73E-07 03/12/97 Yes Yes 2207 172 1061 C 18 H 1 10 157.9 265.54 60.9 1.34E-02 0 -5.39E-08 -7.07E-07 2.04E-06 03/12/97 Yes Yes 2207 172 1061 C 18 H 1 15 157.95 111.27 56.88 1.21E-02 0 -2.55E-07 6.70E-07 1.76E-06 03/12/97 Yes Yes 2207 172 1061 C 18 H 1 20 158 11.44 63.79 1.29E-02 0 5.90E-07 1.22E-07 2.00E-06 03/12/97 Yes Yes 2207 172 1061 C 18 H 1 25 158.05 330.38 58.96 1.78E-02 0 8.46E-07 -4.92E-07 2.64E-06 03/12/97 Yes Yes 2207 172 1061 C 18 H 1 30 158.1 295.11 65.44 1.37E-02 0 2.57E-07 -5.61E-07 2.17E-06 03/12/97 Yes Yes 2207 172 1061 C 18 H 1 35 158.15 228.3 78.52 1.34E-02 0 -1.87E-07 -2.15E-07 2.27E-06 03/12/97 Yes Yes 2207 172 1061 C 18 H 1 40 158.2 95.62 65.26 1.02E-02 0 -4.42E-08 4.60E-07 1.60E-06 03/12/97 Yes Yes 2207 172 1061 C 18 H 1 45 158.25 48.78 67.34 1.16E-02 0 3.13E-07 3.65E-07 1.86E-06 03/12/97 Yes Yes 2207 172 1061 C 18 H 1 50 158.3 275.11 54.05 9.72E-03 0 5.39E-08 -6.17E-07 1.36E-06 03/12/97 Yes Yes 2207 172 1061 C 18 H 1 55 158.35 319.98 83.14 4.02E-03 0 3.90E-08 -3.35E-08 6.91E-07 03/12/97 Yes Yes 2207 172 1061 C 18 H 1 60 158.4 18.63 82.78 3.74E-03 0 4.72E-08 1.63E-08 6.43E-07 03/12/97 Yes Yes 2207 172 1061 C 18 H 1 65 158.45 9.02 78.69 4.72E-03 0 9.69E-08 1.57E-08 8.02E-07 03/12/97 Yes Yes 2207 172 1061 C 18 H 1 70 158.5 358.28 55.43 1.26E-02 0 7.56E-07 -2.32E-08 1.79E-06 03/12/97 Yes Yes 2207 172 1061 C 18 H 1 75 158.55 320.95 80.94 1.47E-02 0 1.90E-07 -1.58E-07 2.51E-06 03/12/97 Yes Yes 2207 172 1061 C 18 H 1 80 158.6 49.26 87.25 8.26E-03 0 2.74E-08 3.25E-08 1.43E-06 03/12/97 Yes Yes 2207 172 1061 C 18 H 1 85 158.65 340.21 76.23 7.30E-03 0 1.73E-07 -6.38E-08 1.23E-06 03/12/97 Yes Yes 2207 172 1061 C 18 H 1 90 158.7 219.16 86.89 6.04E-03 0 -2.70E-08 -2.25E-08 1.05E-06 03/12/97 Yes Yes 2207 172 1061 C 18 H 1 95 158.75 176.46 85.11 4.27E-03 0 -3.85E-08 2.44E-09 7.37E-07 03/12/97 Yes Yes 2207 172 1061 C 18 H 1 100 158.8 5.07 74.33 3.89E-03 0 1.11E-07 1.01E-08 6.49E-07 03/12/97 Yes Yes 2207 172 1061 C 18 H 1 105 158.85 353.17 74.14 5.26E-03 0 1.51E-07 -1.85E-08 8.77E-07 03/12/97 Yes Yes 2207 172 1061 C 18 H 1 110 158.9 328.85 81.42 5.75E-03 0 7.79E-08 -4.81E-08 9.86E-07 03/12/97 Yes Yes 2207 172 1061 C 18 H 1 115 158.95 330.03 75.57 5.25E-03 0 1.20E-07 -7.09E-08 8.82E-07 03/12/97 Yes Yes 2207 172 1061 C 18 H 1 120 159 3.65 66.3 6.91E-03 0 2.94E-07 1.92E-08 1.10E-06 03/12/97 Yes Yes 2207 172 1061 C 18 H 1 125 159.05 125.12 64.97 5.50E-03 0 -1.42E-07 2.06E-07 8.63E-07 03/12/97 Yes Yes 2207 172 1061 C 18 H 1 130 159.1 240.18 87.58 3.16E-03 0 -7.04E-09 -1.26E-08 5.48E-07 03/12/97 Yes Yes 2207 172 1061 C 18 H 1 135 159.15 325.87 76.75 2.95E-03 0 5.94E-08 -4.11E-08 4.98E-07 03/12/97 Yes Yes 2207 172 1061 C 18 H 1 140 159.2 184.65 84.8 2.21E-03 0 -2.12E-08 -1.76E-09 3.81E-07 03/12/97 Yes Yes 2207 172 1061 C 18 H 2 0 159.21 357.85 64.33 1.17E-03 0 5.36E-08 -2.06E-09 1.82E-07 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 5 159.26 354.87 81.44 2.55E-03 0 4.02E-08 -3.69E-09 4.38E-07 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 10 159.31 333.91 83.55 3.09E-03 0 3.30E-08 -1.66E-08 5.32E-07 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 15 159.36 336.51 73.32 4.42E-03 0 1.23E-07 -5.48E-08 7.34E-07 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 20 159.41 1.87 75.69 5.25E-03 0 1.38E-07 4.60E-09 8.82E-07 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 25 159.46 18.44 79.8 4.70E-03 0 8.37E-08 2.86E-08 8.02E-07 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 30 159.51 331.08 77.56 4.27E-03 0 8.54E-08 -4.82E-08 7.23E-07 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 35 159.56 318.15 76.78 4.06E-03 0 7.34E-08 -6.72E-08 6.86E-07 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 40 159.61 159.53 71.82 4.17E-03 0 -1.29E-07 4.93E-08 6.87E-07 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 45 159.66 183.69 40.88 7.29E-03 0 -5.84E-07 -3.85E-08 8.27E-07 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 50 159.71 322.41 63.24 1.51E-02 0 5.73E-07 -4.51E-07 2.34E-06 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 55 159.76 340.11 36.92 8.77E-02 0 6.99E-06 -2.59E-06 9.13E-06 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 60 159.81 6.21 79.07 8.03E-02 0 1.61E-06 1.79E-07 1.37E-05 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 65 159.86 161.37 65.27 3.36E-02 0 -1.41E-06 4.87E-07 5.29E-06 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 70 159.91 345.92 85.11 2.11E-02 0 1.86E-07 -4.76E-08 3.65E-06 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 75 159.96 331.55 67.65 2.12E-02 0 7.52E-07 -4.17E-07 3.40E-06 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 80 160.01 328.91 76.11 1.73E-02 0 3.77E-07 -2.32E-07 2.91E-06 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 85 160.06 97.46 83.55 1.17E-02 0 -1.81E-08 1.41E-07 2.01E-06 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 90 160.11 65.21 85.67 5.98E-03 0 2.01E-08 4.44E-08 1.03E-06 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 95 160.16 337.13 82.21 3.72E-03 0 4.93E-08 -2.12E-08 6.39E-07 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 100 160.21 288.32 78.86 3.72E-03 0 2.40E-08 -7.40E-08 6.32E-07 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 105 160.26 13.17 76.79 4.44E-03 0 1.05E-07 2.51E-08 7.50E-07 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 110 160.31 44.57 63.65 6.24E-03 0 2.09E-07 2.11E-07 9.69E-07 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 115 160.36 72.85 47.75 1.01E-02 0 2.11E-07 7.00E-07 1.29E-06 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 120 160.41 282.66 37.9 1.22E-02 0 2.24E-07 -1.02E-06 1.30E-06 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 125 160.46 284.36 25.5 4.37E-02 0 1.04E-06 -4.15E-06 3.26E-06 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 130 160.51 30.27 74.61 1.32E-02 0 3.20E-07 1.91E-07 2.20E-06 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 135 160.56 147.31 80.42 9.68E-03 0 -1.44E-07 9.44E-08 1.66E-06 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 140 160.61 325.36 70.77 1.38E-02 0 3.97E-07 -2.80E-07 2.26E-06 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 145 160.66 329.25 58.43 3.57E-02 0 1.70E-06 -1.03E-06 5.27E-06 03/12/97 Yes Yes 2210 172 1061 C 18 H 2 150 160.71 106.45 74.4 2.26E-02 0 -1.83E-07 6.32E-07 3.77E-06 03/12/97 Yes Yes 2210 172 1061 C 18 H 3 0 160.71 325.67 50.31 8.44E-03 0 4.72E-07 -3.30E-07 1.13E-06 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 5 160.76 336.83 66.4 1.61E-02 0 6.27E-07 -2.74E-07 2.55E-06 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 10 160.81 13.45 77.18 1.59E-02 0 3.65E-07 8.91E-08 2.69E-06 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 15 160.86 358.82 73.34 1.42E-02 0 4.31E-07 -9.08E-09 2.36E-06 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 20 160.91 321.72 74.75 1.61E-02 0 3.53E-07 -2.85E-07 2.70E-06 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 25 160.96 208.24 70 1.52E-02 0 -4.85E-07 -2.66E-07 2.47E-06 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 30 161.01 23.1 54.37 3.59E-02 0 2.04E-06 8.89E-07 5.05E-06 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 35 161.06 358.49 66.63 5.12E-02 0 2.15E-06 -5.79E-08 8.14E-06 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 40 161.11 239.74 75.61 2.33E-02 0 -3.09E-07 -5.42E-07 3.91E-06 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 45 161.16 36.2 84.87 1.46E-02 0 1.12E-07 8.37E-08 2.53E-06 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 50 161.21 105.52 71.89 1.14E-02 0 -1.01E-07 3.71E-07 1.88E-06 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 55 161.26 104.12 33.95 1.38E-02 0 -2.97E-07 1.21E-06 1.34E-06 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 60 161.31 106.51 7.83 4.72E-02 0 -1.41E-06 4.86E-06 1.12E-06 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 65 161.36 122.36 -4.42 5.36E-02 0 -3.03E-06 4.89E-06 -7.15E-07 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 70 161.41 276.69 3.95 5.75E-01 0 7.09E-06 -6.18E-05 6.87E-06 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 75 161.46 338.22 53.13 3.43E-01 0 2.03E-05 -8.29E-06 4.76E-05 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 80 161.51 37.65 42.29 6.43E-01 0 3.99E-05 3.15E-05 7.50E-05 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 85 161.56 243.29 70.35 3.46E-01 0 -5.54E-06 -1.13E-05 5.65E-05 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 90 161.61 191.18 52.43 9.41E-02 0 -5.97E-06 -1.21E-06 1.29E-05 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 95 161.66 341.92 17.39 1.55E-01 0 1.49E-05 -4.98E-06 8.04E-06 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 100 161.71 346.25 46.23 1.34E-01 0 9.54E-06 -2.39E-06 1.68E-05 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 105 161.76 148.69 45.06 5.43E-02 0 -3.48E-06 2.16E-06 6.67E-06 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 110 161.81 155.48 61.95 2.86E-02 0 -1.30E-06 6.05E-07 4.37E-06 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 115 161.86 3.2 43.71 8.81E-02 0 6.75E-06 3.85E-07 1.06E-05 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 120 161.91 354.35 53.67 1.18E-01 0 7.37E-06 -7.45E-07 1.65E-05 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 125 161.96 359.89 67.88 5.89E-02 0 2.35E-06 -4.77E-09 9.46E-06 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 130 162.01 180.29 69.9 3.14E-02 0 -1.15E-06 -5.83E-09 5.11E-06 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 135 162.06 81.53 79.32 1.68E-02 0 4.87E-08 3.35E-07 2.87E-06 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 140 162.11 356.17 64.49 2.28E-02 0 1.04E-06 -7.12E-08 3.57E-06 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 145 162.16 327.75 59.47 3.68E-02 0 1.68E-06 -1.08E-06 5.49E-06 03/12/97 Yes Yes 2213 172 1061 C 18 H 3 150 162.21 9.77 76.48 2.99E-02 0 7.30E-07 1.28E-07 5.03E-06 03/12/97 Yes Yes 2213 172 1061 C 18 H 4 0 162.21 358.66 32.6 1.33E-01 0 1.18E-05 -2.84E-07 1.24E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 5 162.26 54.18 54.48 1.72E-01 0 6.21E-06 8.80E-06 2.43E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 10 162.31 95.05 28.28 1.96E-01 0 -1.61E-06 1.87E-05 1.61E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 15 162.36 98.18 39.49 1.13E-01 0 -1.32E-06 9.40E-06 1.25E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 20 162.41 85.44 36.82 1.01E-01 0 6.79E-07 8.70E-06 1.04E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 25 162.46 86.77 27.94 1.28E-01 0 6.79E-07 1.23E-05 1.04E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 30 162.51 80.62 30.33 1.48E-01 0 2.21E-06 1.37E-05 1.30E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 35 162.56 73.2 36.09 1.83E-01 0 4.53E-06 1.53E-05 1.87E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 40 162.61 91.1 30.5 1.92E-01 0 -3.39E-07 1.80E-05 1.69E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 45 162.66 93 23.15 1.89E-01 0 -9.65E-07 1.89E-05 1.29E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 50 162.71 93.15 20.62 1.98E-01 0 -1.08E-06 2.01E-05 1.21E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 55 162.76 77.84 31.02 1.64E-01 0 3.13E-06 1.49E-05 1.46E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 60 162.81 59.2 41.99 2.22E-01 0 8.97E-06 1.54E-05 2.58E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 65 162.86 75.51 37.49 2.71E-01 0 5.70E-06 2.26E-05 2.86E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 70 162.91 71.22 34.43 3.84E-01 0 1.08E-05 3.25E-05 3.77E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 75 162.96 48.36 45.39 5.29E-01 0 2.62E-05 3.01E-05 6.53E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 80 163.01 97.3 50.37 3.03E-01 0 -2.60E-06 2.08E-05 4.05E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 85 163.06 74.65 27.26 2.76E-01 0 6.88E-06 2.56E-05 2.19E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 90 163.11 77.97 28.25 3.01E-01 0 5.85E-06 2.81E-05 2.47E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 95 163.16 93.05 24.08 3.05E-01 0 -1.57E-06 3.01E-05 2.15E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 100 163.21 84.07 21.03 3.51E-01 0 3.59E-06 3.53E-05 2.18E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 105 163.26 85.13 21.09 3.50E-01 0 2.94E-06 3.53E-05 2.18E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 110 163.31 91.29 20.13 3.44E-01 0 -7.69E-07 3.50E-05 2.05E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 115 163.36 91 18.08 3.60E-01 0 -6.33E-07 3.71E-05 1.94E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 120 163.41 91.02 17.77 3.90E-01 0 -7.01E-07 4.02E-05 2.06E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 125 163.46 91.75 17.98 4.60E-01 0 -1.42E-06 4.74E-05 2.46E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 130 163.51 93.73 20.57 6.00E-01 0 -3.88E-06 6.08E-05 3.66E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 135 163.56 332.71 50.38 3.79E-01 0 2.28E-05 -1.20E-05 5.06E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 140 163.61 300.45 30.62 1.80E+00 0 8.33E-05 -1.45E-04 1.59E-04 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 145 163.66 81.41 40.21 7.72E-01 0 9.33E-06 6.32E-05 8.64E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 4 150 163.71 120.18 29.05 1.43E-01 0 -6.67E-06 1.17E-05 1.20E-05 03/12/97 Yes Yes 2216 172 1061 C 18 H 5 0 163.71 55.4 34.01 1.31E-01 0 6.54E-06 9.69E-06 1.27E-05 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 5 163.76 345.54 77.28 1.41E-01 0 3.18E-06 -8.40E-07 2.38E-05 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 10 163.81 322.69 51.39 9.34E-02 0 4.92E-06 -3.83E-06 1.27E-05 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 15 163.86 208.09 27.48 1.22E-01 0 -1.01E-05 -5.53E-06 9.76E-06 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 20 163.91 290.14 63.61 1.69E-01 0 2.75E-06 -7.66E-06 2.63E-05 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 25 163.96 38.73 32.1 1.41E+00 0 9.89E-05 8.11E-05 1.30E-04 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 30 164.01 16.28 66.48 8.52E-01 0 3.46E-05 1.03E-05 1.35E-04 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 35 164.06 238.81 45.51 2.49E-01 0 -9.59E-06 -1.62E-05 3.08E-05 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 40 164.11 193.51 60.56 7.16E-02 0 -3.63E-06 -8.92E-07 1.08E-05 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 45 164.16 192.21 59.79 2.24E-02 0 -1.17E-06 -2.59E-07 3.36E-06 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 50 164.21 340.04 30.24 7.18E-02 0 6.19E-06 -2.30E-06 6.27E-06 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 55 164.26 1.38 47.55 6.48E-02 0 4.64E-06 1.14E-07 8.29E-06 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 60 164.31 344.63 50.98 8.92E-02 0 5.74E-06 -1.61E-06 1.20E-05 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 65 164.36 77.23 74.77 7.88E-02 0 4.85E-07 2.19E-06 1.32E-05 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 70 164.41 109.3 58.76 3.50E-02 0 -6.36E-07 1.86E-06 5.19E-06 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 75 164.46 346.81 72.91 2.06E-02 0 6.26E-07 -1.50E-07 3.42E-06 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 80 164.51 255.29 75.24 1.15E-02 0 -7.89E-08 -3.07E-07 1.93E-06 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 85 164.56 10.52 80.99 1.42E-02 0 2.32E-07 4.41E-08 2.43E-06 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 90 164.61 22.47 69.82 3.27E-02 0 1.11E-06 4.68E-07 5.33E-06 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 95 164.66 337.62 49.74 1.30E-01 0 8.22E-06 -3.46E-06 1.72E-05 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 100 164.71 308.84 67.91 1.36E-01 0 3.40E-06 -4.32E-06 2.18E-05 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 105 164.76 25.3 78.86 5.31E-02 0 9.83E-07 4.75E-07 9.03E-06 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 110 164.81 350.84 64.53 3.37E-02 0 1.52E-06 -2.50E-07 5.28E-06 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 115 164.86 359.39 80.91 1.89E-02 0 3.17E-07 -3.45E-09 3.24E-06 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 120 164.91 116.39 77.1 9.36E-03 0 -9.85E-08 2.03E-07 1.58E-06 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 125 164.96 351.76 69.34 1.03E-02 0 3.83E-07 -5.68E-08 1.68E-06 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 130 165.01 347.95 51.44 2.04E-02 0 1.32E-06 -2.88E-07 2.77E-06 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 135 165.06 341.87 62.33 2.19E-02 0 1.03E-06 -3.44E-07 3.37E-06 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 140 165.11 336.05 69.71 1.83E-02 0 6.15E-07 -2.79E-07 2.98E-06 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 145 165.16 13.72 70.23 1.81E-02 0 6.29E-07 1.57E-07 2.95E-06 03/12/97 Yes Yes 2219 172 1061 C 18 H 5 150 165.21 106.16 64.83 8.42E-03 0 -1.06E-07 3.73E-07 1.32E-06 03/12/97 Yes Yes 2219 172 1061 C 18 H 6 0 165.21 106.22 21.06 1.84E-01 0 -5.09E-06 1.79E-05 1.15E-05 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 5 165.26 107.69 18.11 3.36E-01 0 -1.03E-05 3.30E-05 1.81E-05 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 10 165.31 104.5 55.02 3.04E-01 0 -4.62E-06 1.83E-05 4.31E-05 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 15 165.36 310.55 34.54 1.27E+00 0 7.22E-05 -8.63E-05 1.25E-04 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 20 165.41 11.82 64.56 1.22E+00 0 5.42E-05 1.16E-05 1.90E-04 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 25 165.46 119.69 39.2 5.94E-01 0 -2.42E-05 4.34E-05 6.51E-05 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 30 165.51 107.45 24.34 4.10E-01 0 -1.19E-05 3.87E-05 2.93E-05 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 35 165.56 102.85 23.21 3.99E-01 0 -8.65E-06 3.88E-05 2.73E-05 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 40 165.61 94.29 21.14 4.91E-01 0 -3.63E-06 4.95E-05 3.07E-05 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 45 165.66 94.01 27.8 5.28E-01 0 -3.47E-06 5.05E-05 4.27E-05 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 50 165.71 102.79 32.23 4.76E-01 0 -9.45E-06 4.26E-05 4.40E-05 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 55 165.76 96.66 34.5 5.69E-01 0 -5.77E-06 5.06E-05 5.59E-05 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 60 165.81 73.63 37.03 6.99E-01 0 1.67E-05 5.81E-05 7.30E-05 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 65 165.86 48.58 45.27 9.44E-01 0 4.66E-05 5.40E-05 1.16E-04 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 70 165.91 91.39 50.77 8.64E-01 0 -1.41E-06 5.92E-05 1.16E-04 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 75 165.96 103.91 28.78 7.18E-01 0 -1.61E-05 6.63E-05 6.00E-05 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 80 166.01 98.06 25.25 7.34E-01 0 -9.86E-06 7.13E-05 5.43E-05 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 85 166.06 102.68 26.05 7.17E-01 0 -1.50E-05 6.82E-05 5.46E-05 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 90 166.11 97.25 25.08 7.96E-01 0 -9.65E-06 7.76E-05 5.85E-05 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 95 166.16 85.87 25.56 1.09E+00 0 7.54E-06 1.07E-04 8.18E-05 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 100 166.21 97.98 34.59 9.21E-01 0 -1.12E-05 8.14E-05 9.07E-05 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 105 166.26 102.13 34.66 9.81E-01 0 -1.80E-05 8.56E-05 9.68E-05 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 110 166.31 120.09 24.01 1.15E+00 0 -5.57E-05 9.83E-05 8.09E-05 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 115 166.36 116.32 23.25 1.38E+00 0 -5.98E-05 1.24E-04 9.48E-05 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 120 166.41 338.77 30.29 2.61E+00 0 2.23E-04 -8.84E-05 2.28E-04 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 125 166.46 317.83 48.67 3.11E+00 0 1.62E-04 -1.50E-04 4.05E-04 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 130 166.51 133.27 45.37 1.52E+00 0 -7.74E-05 8.41E-05 1.87E-04 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 135 166.56 230.02 55.37 2.65E-01 0 -1.03E-05 -1.25E-05 3.78E-05 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 140 166.61 250.93 6.33 1.92E-01 0 -6.60E-06 -1.95E-05 3.66E-06 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 145 166.66 303.53 3.84 2.42E-01 0 1.42E-05 -2.19E-05 2.81E-06 03/12/97 Yes Yes 2222 172 1061 C 18 H 6 150 166.71 349.35 23.67 2.38E-01 0 2.27E-05 -4.37E-06 1.66E-05 03/12/97 Yes Yes 2222