Table 7B. Continuous split-core remanent measurements for Hole 1063C after 20 mT demagnetization. Leg Site Hole Core Type Section Interval Depth Declination Inclination Intensity (A/m) Demagnetization level Mx (A*m^2) My (A*m^2) Mz (A*m^2) Date Drift corrected Tray corrected Run # 172 1063 C 1 H 1 0 0 14.92 62.11 2.58E-03 20 1.24E-07 3.37E-08 3.95E-07 3/31/97 Yes Yes 0 172 1063 C 1 H 1 5 0.05 286.68 64.01 8.23E-03 20 1.10E-07 -3.75E-07 1.28E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 1 10 0.1 270.3 60.04 1.34E-02 20 3.76E-09 -7.28E-07 2.02E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 1 15 0.15 262.9 57.44 1.48E-02 20 -1.05E-07 -8.58E-07 2.16E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 1 20 0.2 253.71 50.18 1.53E-02 20 -2.91E-07 -1.02E-06 2.04E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 1 25 0.25 258.16 44.06 1.55E-02 20 -2.43E-07 -1.18E-06 1.87E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 1 30 0.3 259.88 41.81 1.80E-02 20 -2.50E-07 -1.43E-06 2.08E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 1 35 0.35 252.05 38.89 1.98E-02 20 -5.04E-07 -1.59E-06 2.16E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 1 40 0.4 253.41 44.17 1.88E-02 20 -4.08E-07 -1.40E-06 2.27E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 1 45 0.45 250.75 48.99 1.91E-02 20 -4.37E-07 -1.28E-06 2.49E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 1 50 0.5 242.21 49.38 1.87E-02 20 -6.02E-07 -1.17E-06 2.46E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 1 55 0.55 246.02 51.36 1.69E-02 20 -4.53E-07 -1.04E-06 2.28E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 1 60 0.6 253.91 53.76 1.55E-02 20 -2.70E-07 -9.56E-07 2.17E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 1 65 0.65 257.15 54.23 1.45E-02 20 -2.00E-07 -8.99E-07 2.05E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 1 70 0.7 253.67 48.63 1.54E-02 20 -3.03E-07 -1.06E-06 2.00E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 1 75 0.75 258.75 45.91 1.51E-02 20 -2.17E-07 -1.12E-06 1.88E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 1 80 0.8 266.16 45.36 1.34E-02 20 -6.69E-08 -1.02E-06 1.65E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 1 85 0.85 279.13 44.8 1.17E-02 20 1.40E-07 -8.88E-07 1.43E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 1 90 0.9 278.25 40.57 1.26E-02 20 1.46E-07 -1.03E-06 1.42E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 1 95 0.95 270.98 37.92 1.16E-02 20 1.67E-08 -9.96E-07 1.24E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 1 100 1 276.7 37.37 9.70E-03 20 9.54E-08 -8.30E-07 1.02E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 1 105 1.05 282.67 32.75 1.16E-02 20 2.26E-07 -1.03E-06 1.08E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 1 110 1.1 285.18 33.95 1.40E-02 20 3.23E-07 -1.22E-06 1.36E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 1 115 1.15 285.36 39.83 1.52E-02 20 3.28E-07 -1.22E-06 1.69E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 1 120 1.2 268.76 47.36 1.57E-02 20 -2.45E-08 -1.15E-06 2.00E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 1 125 1.25 258.22 49.92 1.48E-02 20 -2.07E-07 -1.02E-06 1.97E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 1 130 1.3 262.75 56.13 1.46E-02 20 -1.09E-07 -8.72E-07 2.09E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 1 135 1.35 270.78 54.42 1.60E-02 20 1.35E-08 -1.01E-06 2.26E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 1 140 1.4 274.06 49.21 1.86E-02 20 9.13E-08 -1.31E-06 2.44E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 1 145 1.45 274.72 48.72 1.73E-02 20 9.99E-08 -1.24E-06 2.26E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 1 150 1.5 267.06 52.21 1.08E-02 20 -3.59E-08 -7.14E-07 1.47E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 2 0 1.5 255.21 64.83 2.46E-03 20 -2.83E-08 -1.10E-07 3.86E-07 3/31/97 Yes Yes 0 172 1063 C 1 H 2 5 1.55 282.07 41.72 1.09E-02 20 1.81E-07 -8.65E-07 1.26E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 2 10 1.6 303.05 47.05 1.78E-02 20 7.01E-07 -1.10E-06 2.26E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 2 15 1.65 289.39 54.56 2.04E-02 20 4.17E-07 -1.21E-06 2.88E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 2 20 1.7 288.05 53.16 1.50E-02 20 2.96E-07 -9.28E-07 2.08E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 2 25 1.75 304.13 51.31 1.04E-02 20 3.88E-07 -5.85E-07 1.41E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 2 30 1.8 307.1 43.17 1.15E-02 20 5.36E-07 -7.24E-07 1.36E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 2 35 1.85 299.76 40.47 1.20E-02 20 4.79E-07 -8.57E-07 1.35E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 2 40 1.9 300.99 36.62 1.00E-02 20 4.40E-07 -7.49E-07 1.04E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 2 45 1.95 294.27 26.98 1.22E-02 20 4.73E-07 -1.07E-06 9.58E-07 3/31/97 Yes Yes 0 172 1063 C 1 H 2 50 2 285.71 25.12 1.60E-02 20 4.16E-07 -1.51E-06 1.18E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 2 55 2.05 269.01 36.25 1.23E-02 20 -1.81E-08 -1.07E-06 1.26E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 2 60 2.1 263.03 37.48 1.23E-02 20 -1.26E-07 -1.05E-06 1.30E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 2 65 2.15 285.7 42.91 1.24E-02 20 2.61E-07 -9.51E-07 1.47E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 2 70 2.2 309.23 50.19 2.31E-02 20 9.91E-07 -1.24E-06 3.08E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 2 75 2.25 231.89 64.6 2.54E-02 20 -7.13E-07 -9.29E-07 3.97E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 2 80 2.3 224.24 50.33 1.94E-02 20 -9.39E-07 -9.35E-07 2.58E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 2 85 2.35 249.5 44.09 1.46E-02 20 -3.90E-07 -1.07E-06 1.76E-06 3/31/97 Yes Yes 0 172 1063 C 1 H 2 90 2.4 259.51 38.14 1.40E-02 20 -2.13E-07 -1.18E-06 1.50E-06 3/31/97 Yes Yes 0 172 1063 C 2 H 1 0 2.5 155.55 75.69 4.51E-03 20 -1.08E-07 5.00E-08 7.57E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 1 5 2.55 205.33 30.57 1.27E-02 20 -1.05E-06 -5.06E-07 1.12E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 1 10 2.6 235.23 17.19 6.53E-03 20 -3.77E-07 -5.55E-07 3.34E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 1 15 2.65 207.49 23.96 1.52E-03 20 -1.30E-07 -6.94E-08 1.07E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 1 20 2.7 302.95 4.52 2.33E-03 20 1.34E-07 -2.11E-07 3.18E-08 4/1/97 Yes Yes 0 172 1063 C 2 H 1 25 2.75 347.55 10.15 7.13E-03 20 7.27E-07 -1.64E-07 2.18E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 1 30 2.8 5.14 17.65 8.97E-03 20 9.03E-07 8.31E-08 4.72E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 1 35 2.85 357.9 36.64 1.36E-02 20 1.15E-06 -4.33E-08 1.40E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 1 40 2.9 5.53 56.28 2.10E-02 20 1.23E-06 1.22E-07 3.03E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 1 45 2.95 18.45 60.64 2.31E-02 20 1.14E-06 3.88E-07 3.49E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 1 50 3 14 59.03 2.14E-02 20 1.13E-06 2.89E-07 3.18E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 1 55 3.05 31.82 49.74 2.04E-02 20 1.19E-06 7.52E-07 2.69E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 1 60 3.1 34.55 44.36 1.94E-02 20 1.21E-06 8.54E-07 2.35E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 1 65 3.15 38.25 44.22 1.91E-02 20 1.14E-06 9.20E-07 2.31E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 1 70 3.2 46.91 44.45 1.64E-02 20 8.49E-07 9.28E-07 1.99E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 1 75 3.25 49.87 34.9 1.64E-02 20 9.22E-07 1.12E-06 1.63E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 1 80 3.3 53.77 34.15 1.68E-02 20 8.71E-07 1.22E-06 1.63E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 1 85 3.35 54.15 37.4 1.56E-02 20 7.72E-07 1.09E-06 1.65E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 1 90 3.4 58.19 42.64 1.56E-02 20 6.43E-07 1.06E-06 1.84E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 1 95 3.45 63.49 44.19 1.72E-02 20 5.85E-07 1.20E-06 2.08E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 1 100 3.5 64.61 42.96 2.01E-02 20 6.69E-07 1.44E-06 2.37E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 1 105 3.55 67.44 47.32 2.03E-02 20 5.59E-07 1.38E-06 2.58E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 1 110 3.6 64.48 53.57 1.84E-02 20 5.00E-07 1.07E-06 2.57E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 1 115 3.65 60.61 51.26 2.25E-02 20 7.32E-07 1.33E-06 3.04E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 1 120 3.7 60.99 49.48 2.78E-02 20 9.28E-07 1.71E-06 3.66E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 1 125 3.75 62.18 50.27 2.72E-02 20 8.59E-07 1.66E-06 3.62E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 1 130 3.8 61.82 52.53 2.47E-02 20 7.54E-07 1.44E-06 3.40E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 1 135 3.85 52.13 49.97 2.71E-02 20 1.14E-06 1.49E-06 3.60E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 1 140 3.9 52.67 48.26 2.85E-02 20 1.22E-06 1.64E-06 3.69E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 1 145 3.95 58.72 53.56 1.96E-02 20 6.41E-07 1.08E-06 2.73E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 0 4 359.44 62.98 4.47E-03 20 2.15E-07 -2.15E-09 6.91E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 2 5 4.05 35.26 57.44 1.59E-02 20 7.41E-07 5.36E-07 2.32E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 10 4.1 45.42 64.15 2.28E-02 20 7.41E-07 7.69E-07 3.56E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 15 4.15 48.75 67.15 2.52E-02 20 6.85E-07 7.99E-07 4.03E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 20 4.2 48.19 70.87 2.46E-02 20 5.70E-07 6.52E-07 4.03E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 25 4.25 40.8 73.59 2.47E-02 20 5.60E-07 4.94E-07 4.10E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 30 4.3 48.98 71.76 2.65E-02 20 5.77E-07 6.79E-07 4.36E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 35 4.35 56.96 70.66 2.90E-02 20 5.55E-07 8.73E-07 4.74E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 40 4.4 70.12 68.37 2.89E-02 20 3.84E-07 1.09E-06 4.66E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 45 4.45 71.22 65.59 2.59E-02 20 3.65E-07 1.10E-06 4.09E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 50 4.5 64.57 60.41 2.45E-02 20 5.52E-07 1.19E-06 3.70E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 55 4.55 62.13 55.29 2.40E-02 20 6.78E-07 1.31E-06 3.42E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 60 4.6 61.36 52.08 2.27E-02 20 7.08E-07 1.33E-06 3.10E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 65 4.65 53.14 48.36 2.28E-02 20 9.63E-07 1.31E-06 2.95E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 70 4.7 46.13 51.64 2.07E-02 20 9.46E-07 1.01E-06 2.82E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 75 4.75 43.97 45.57 2.13E-02 20 1.14E-06 1.12E-06 2.64E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 80 4.8 42.33 40.83 2.36E-02 20 1.40E-06 1.30E-06 2.67E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 85 4.85 39.21 41.56 2.28E-02 20 1.40E-06 1.17E-06 2.62E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 90 4.9 37.61 45.09 1.94E-02 20 1.15E-06 9.08E-07 2.39E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 95 4.95 31.95 46.93 1.83E-02 20 1.12E-06 7.16E-07 2.31E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 100 5 29.39 48.65 1.84E-02 20 1.12E-06 6.46E-07 2.39E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 105 5.05 35.71 50.53 1.90E-02 20 1.04E-06 7.63E-07 2.54E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 110 5.1 38.93 52.12 1.88E-02 20 9.51E-07 7.86E-07 2.57E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 115 5.15 35.58 52.57 1.98E-02 20 1.04E-06 7.61E-07 2.73E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 120 5.2 34.01 51.26 2.17E-02 20 1.19E-06 8.23E-07 2.93E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 125 5.25 33.85 50.78 2.34E-02 20 1.30E-06 8.94E-07 3.14E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 130 5.3 30.65 53.24 2.45E-02 20 1.34E-06 8.11E-07 3.40E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 135 5.35 33.03 53.91 2.49E-02 20 1.30E-06 8.66E-07 3.48E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 140 5.4 35.76 52.65 2.60E-02 20 1.36E-06 1.00E-06 3.58E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 145 5.45 42.5 50.1 3.00E-02 20 1.50E-06 1.41E-06 3.98E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 2 150 5.5 68.13 57.6 1.88E-02 20 3.99E-07 1.02E-06 2.76E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 0 5.5 322.65 79.18 5.27E-03 20 8.33E-08 -6.51E-08 8.97E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 3 5 5.55 61.19 56.4 1.97E-02 20 5.58E-07 1.04E-06 2.85E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 10 5.6 60.69 52.34 2.73E-02 20 8.65E-07 1.58E-06 3.74E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 15 5.65 56.48 51.19 2.94E-02 20 1.08E-06 1.66E-06 3.97E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 20 5.7 59.04 49.72 3.04E-02 20 1.07E-06 1.83E-06 4.02E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 25 5.75 58.31 52.61 2.62E-02 20 8.87E-07 1.47E-06 3.61E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 30 5.8 52.26 52.65 2.27E-02 20 8.96E-07 1.18E-06 3.13E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 35 5.85 49.99 48.5 2.02E-02 20 9.14E-07 1.11E-06 2.63E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 40 5.9 44.79 44.16 1.89E-02 20 1.02E-06 1.03E-06 2.28E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 45 5.95 44.24 39.76 2.02E-02 20 1.18E-06 1.18E-06 2.24E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 50 6 46.76 39.66 2.17E-02 20 1.21E-06 1.32E-06 2.40E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 55 6.05 48.63 43.91 1.85E-02 20 9.32E-07 1.08E-06 2.22E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 60 6.1 49.2 41.33 1.76E-02 20 9.14E-07 1.08E-06 2.01E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 65 6.15 53.78 41.5 1.74E-02 20 8.14E-07 1.14E-06 1.99E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 70 6.2 59.18 48.68 1.47E-02 20 5.26E-07 9.02E-07 1.91E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 75 6.25 59.33 45.92 1.56E-02 20 5.87E-07 1.01E-06 1.94E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 80 6.3 58.87 43.16 1.80E-02 20 7.20E-07 1.22E-06 2.14E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 85 6.35 59.47 45.56 1.74E-02 20 6.57E-07 1.14E-06 2.15E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 90 6.4 55.4 50.02 1.54E-02 20 5.95E-07 8.81E-07 2.04E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 95 6.45 52.99 49.82 1.46E-02 20 6.03E-07 8.19E-07 1.94E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 100 6.5 53.68 51.62 1.20E-02 20 4.68E-07 6.51E-07 1.63E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 105 6.55 49.57 43.91 1.31E-02 20 6.50E-07 7.80E-07 1.58E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 110 6.6 49.86 43.52 1.41E-02 20 6.97E-07 8.45E-07 1.68E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 115 6.65 50.92 44.37 1.38E-02 20 6.61E-07 8.32E-07 1.68E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 120 6.7 51.79 42.39 1.47E-02 20 7.13E-07 9.26E-07 1.72E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 125 6.75 50.38 39.38 1.61E-02 20 8.40E-07 1.04E-06 1.77E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 130 6.8 45.56 38.5 1.54E-02 20 8.97E-07 9.35E-07 1.67E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 135 6.85 39.62 39.75 1.44E-02 20 9.06E-07 7.67E-07 1.60E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 140 6.9 41.35 40.43 1.45E-02 20 8.79E-07 7.91E-07 1.63E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 145 6.95 42.03 36.47 1.49E-02 20 9.46E-07 8.71E-07 1.54E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 3 150 7 45.84 36.56 1.26E-02 20 7.45E-07 7.85E-07 1.30E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 4 0 7 331.46 57.51 2.74E-03 20 1.37E-07 -7.63E-08 4.01E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 4 5 7.05 20.41 33.8 1.36E-02 20 1.12E-06 4.28E-07 1.31E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 4 10 7.1 29.42 34.79 1.68E-02 20 1.27E-06 7.34E-07 1.66E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 4 15 7.15 33.39 31.33 1.46E-02 20 1.10E-06 7.42E-07 1.31E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 4 20 7.2 33.63 27.63 1.39E-02 20 1.09E-06 7.38E-07 1.12E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 4 25 7.25 35.01 22.49 1.48E-02 20 1.19E-06 8.50E-07 9.80E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 4 30 7.3 34.54 19.36 1.68E-02 20 1.39E-06 9.75E-07 9.66E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 4 35 7.35 35.97 16.04 1.83E-02 20 1.51E-06 1.12E-06 8.75E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 4 40 7.4 30.38 13.89 1.83E-02 20 1.62E-06 9.72E-07 7.60E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 4 45 7.45 32.88 14.68 1.74E-02 20 1.50E-06 9.91E-07 7.64E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 4 50 7.5 40.19 12.77 1.75E-02 20 1.38E-06 1.20E-06 6.71E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 4 55 7.55 40.33 10.83 1.76E-02 20 1.40E-06 1.22E-06 5.75E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 4 60 7.6 42.12 9.75 1.82E-02 20 1.41E-06 1.31E-06 5.35E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 4 65 7.65 48 10.57 1.82E-02 20 1.27E-06 1.44E-06 5.77E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 4 70 7.7 56.07 6.63 1.66E-02 20 9.77E-07 1.48E-06 3.33E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 4 75 7.75 49.03 6.46 1.65E-02 20 1.14E-06 1.35E-06 3.23E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 4 80 7.8 52.08 13.26 1.61E-02 20 1.02E-06 1.34E-06 6.40E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 4 85 7.85 60.72 14.04 1.62E-02 20 8.16E-07 1.49E-06 6.82E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 4 90 7.9 53.9 22.04 1.16E-02 20 6.71E-07 9.41E-07 7.54E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 4 95 7.95 54.63 31.96 8.55E-03 20 4.46E-07 6.42E-07 7.85E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 4 100 8 52.79 35.86 7.79E-03 20 4.05E-07 5.46E-07 7.91E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 4 105 8.05 54.96 33.64 8.92E-03 20 4.52E-07 6.60E-07 8.57E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 4 110 8.1 59.03 34.6 9.14E-03 20 4.10E-07 6.99E-07 8.99E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 4 115 8.15 55.62 37.15 8.54E-03 20 4.08E-07 6.09E-07 8.94E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 4 120 8.2 59.75 31.05 1.22E-02 20 5.60E-07 9.83E-07 1.09E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 4 125 8.25 66.92 28.47 1.82E-02 20 6.65E-07 1.60E-06 1.50E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 4 130 8.3 74.32 33.26 2.00E-02 20 4.79E-07 1.75E-06 1.90E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 4 135 8.35 77.83 38.51 2.11E-02 20 3.69E-07 1.75E-06 2.27E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 4 140 8.4 77.25 44.85 2.13E-02 20 3.53E-07 1.60E-06 2.60E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 4 145 8.45 73.02 43.54 2.37E-02 20 5.32E-07 1.78E-06 2.83E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 5 0 8.5 72.26 78.06 3.74E-03 20 2.50E-08 8.00E-08 6.35E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 5 5 8.55 59.67 48.42 1.60E-02 20 5.69E-07 9.95E-07 2.08E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 5 10 8.6 51.67 49.76 2.09E-02 20 8.87E-07 1.15E-06 2.76E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 5 15 8.65 49.47 51 2.10E-02 20 9.09E-07 1.09E-06 2.82E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 5 20 8.7 40.13 45.15 2.16E-02 20 1.24E-06 1.07E-06 2.66E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 5 25 8.75 35.25 35.2 2.65E-02 20 1.88E-06 1.36E-06 2.65E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 5 30 8.8 34.78 38.95 2.62E-02 20 1.77E-06 1.26E-06 2.85E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 5 35 8.85 38.04 46.79 2.13E-02 20 1.22E-06 9.75E-07 2.69E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 5 40 8.9 42.29 43.04 2.19E-02 20 1.25E-06 1.17E-06 2.59E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 5 45 8.95 44.95 44.05 1.81E-02 20 9.74E-07 9.94E-07 2.18E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 5 50 9 50.39 50.55 1.29E-02 20 5.54E-07 6.85E-07 1.73E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 5 55 9.05 45.61 44.5 1.19E-02 20 6.27E-07 6.55E-07 1.44E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 5 60 9.1 46.53 41.69 1.24E-02 20 6.75E-07 7.28E-07 1.43E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 5 65 9.15 46.14 42.1 1.31E-02 20 7.14E-07 7.60E-07 1.52E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 5 70 9.2 41.62 43.89 1.36E-02 20 7.77E-07 7.06E-07 1.63E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 5 75 9.25 33.24 48.5 1.37E-02 20 8.07E-07 5.41E-07 1.78E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 5 80 9.3 37.42 47.28 1.49E-02 20 8.54E-07 6.68E-07 1.90E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 5 85 9.35 41.27 47.79 1.55E-02 20 8.32E-07 7.47E-07 2.00E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 5 90 9.4 45.64 46.2 1.47E-02 20 7.52E-07 7.87E-07 1.83E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 5 95 9.45 43.7 52.13 1.29E-02 20 6.09E-07 5.95E-07 1.77E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 5 100 9.5 49.2 42.84 1.49E-02 20 7.56E-07 8.95E-07 1.75E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 5 105 9.55 53.17 34.65 1.76E-02 20 9.23E-07 1.26E-06 1.74E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 5 110 9.6 47.09 35.17 1.56E-02 20 9.19E-07 1.01E-06 1.56E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 5 115 9.65 43.05 31.58 1.51E-02 20 9.99E-07 9.55E-07 1.37E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 5 120 9.7 48.15 23.98 1.75E-02 20 1.13E-06 1.29E-06 1.23E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 5 125 9.75 47.66 19.28 1.81E-02 20 1.22E-06 1.37E-06 1.03E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 5 130 9.8 48.78 18.05 2.00E-02 20 1.33E-06 1.55E-06 1.07E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 5 135 9.85 52.26 17.61 1.90E-02 20 1.18E-06 1.56E-06 9.98E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 5 140 9.9 53.53 17.73 1.96E-02 20 1.17E-06 1.62E-06 1.03E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 5 145 9.95 55.29 17.45 2.38E-02 20 1.37E-06 2.02E-06 1.24E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 5 150 10 59.71 19.31 1.66E-02 20 8.37E-07 1.47E-06 9.50E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 6 0 10 38.74 40.06 2.03E-03 20 1.28E-07 1.05E-07 2.26E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 6 5 10.05 50.61 19.04 1.51E-02 20 9.61E-07 1.20E-06 8.54E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 6 10 10.1 53.61 26.22 1.71E-02 20 9.65E-07 1.34E-06 1.31E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 6 15 10.15 57.58 37.66 1.37E-02 20 6.14E-07 9.90E-07 1.45E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 6 20 10.2 61.09 43.18 1.31E-02 20 4.89E-07 9.06E-07 1.55E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 6 25 10.25 62.4 41.02 1.36E-02 20 5.04E-07 9.86E-07 1.55E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 6 30 10.3 57.96 46.58 1.16E-02 20 4.47E-07 7.31E-07 1.46E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 6 35 10.35 49.55 53.32 1.10E-02 20 4.53E-07 5.43E-07 1.53E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 6 40 10.4 47.11 53.19 1.21E-02 20 5.24E-07 5.77E-07 1.68E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 6 45 10.45 55.15 52.52 1.22E-02 20 4.49E-07 6.59E-07 1.67E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 6 50 10.5 55.86 52.15 1.08E-02 20 3.95E-07 5.96E-07 1.48E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 6 55 10.55 60.01 49.11 1.02E-02 20 3.54E-07 6.27E-07 1.34E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 6 60 10.6 59.94 53.26 8.79E-03 20 2.79E-07 4.94E-07 1.22E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 6 65 10.65 59.99 55.02 9.64E-03 20 2.93E-07 5.19E-07 1.37E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 6 70 10.7 77.1 47.87 1.10E-02 20 1.74E-07 7.78E-07 1.41E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 6 75 10.75 76.42 46.35 9.86E-03 20 1.70E-07 7.17E-07 1.24E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 6 80 10.8 64.73 40.97 1.11E-02 20 3.80E-07 8.23E-07 1.26E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 6 85 10.85 62.54 40.55 1.24E-02 20 4.63E-07 9.10E-07 1.40E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 6 90 10.9 64.76 43.97 1.15E-02 20 3.74E-07 8.12E-07 1.38E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 6 95 10.95 57.54 47.38 1.05E-02 20 4.04E-07 6.49E-07 1.34E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 6 100 11 44.39 44.36 1.30E-02 20 7.03E-07 7.03E-07 1.57E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 6 105 11.05 29.61 43.28 1.87E-02 20 1.25E-06 7.28E-07 2.22E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 6 110 11.1 22.94 57.28 2.10E-02 20 1.11E-06 4.81E-07 3.07E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 6 115 11.15 25.76 62.65 2.32E-02 20 1.02E-06 5.03E-07 3.58E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 6 120 11.2 48.02 63.95 2.79E-02 20 8.70E-07 9.89E-07 4.35E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 6 125 11.25 65.85 61.69 2.85E-02 20 5.87E-07 1.34E-06 4.35E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 6 130 11.3 59.19 54.98 2.67E-02 20 8.32E-07 1.43E-06 3.79E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 6 135 11.35 50.34 52.11 2.71E-02 20 1.13E-06 1.39E-06 3.70E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 6 140 11.4 53.42 49.59 2.84E-02 20 1.16E-06 1.60E-06 3.75E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 6 145 11.45 47.78 43.29 3.19E-02 20 1.65E-06 1.86E-06 3.79E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 6 150 11.5 46.57 47.93 2.18E-02 20 1.06E-06 1.15E-06 2.80E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 7 0 11.5 345.87 76.07 4.58E-03 20 1.13E-07 -2.92E-08 7.70E-07 4/1/97 Yes Yes 0 172 1063 C 2 H 7 5 11.55 33.27 45.62 2.30E-02 20 1.43E-06 9.58E-07 2.85E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 7 10 11.6 36.58 47.22 2.76E-02 20 1.60E-06 1.21E-06 3.51E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 7 15 11.65 32.77 41.28 2.67E-02 20 1.79E-06 1.18E-06 3.05E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 7 20 11.7 31.47 37.91 2.44E-02 20 1.74E-06 1.09E-06 2.60E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 7 25 11.75 31.74 38.35 2.67E-02 20 1.89E-06 1.20E-06 2.87E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 7 30 11.8 38.78 43.1 2.37E-02 20 1.43E-06 1.17E-06 2.80E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 7 35 11.85 20.28 43.5 2.63E-02 20 1.90E-06 7.18E-07 3.14E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 7 40 11.9 14.7 47.68 5.13E-02 20 3.54E-06 9.50E-07 6.57E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 7 45 11.95 60.6 79.35 5.69E-02 20 5.48E-07 9.94E-07 9.70E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 7 50 12 58.03 82.28 4.31E-02 20 3.25E-07 5.32E-07 7.40E-06 4/1/97 Yes Yes 0 172 1063 C 2 H 7 55 12.05 10.85 66.89 3.69E-02 20 1.51E-06 2.95E-07 5.88E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 1 0 12 18.55 65.7 4.81E-03 20 1.99E-07 6.84E-08 7.61E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 1 5 12.05 138.66 53.01 1.67E-02 20 -7.99E-07 7.19E-07 2.31E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 1 10 12.1 149.87 44.72 2.65E-02 20 -1.73E-06 1.02E-06 3.23E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 1 15 12.15 141.28 47.67 2.68E-02 20 -1.49E-06 1.22E-06 3.43E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 1 20 12.2 127.13 46.85 2.68E-02 20 -1.17E-06 1.59E-06 3.39E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 1 25 12.25 124.21 52.73 2.57E-02 20 -9.27E-07 1.39E-06 3.54E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 1 30 12.3 122.84 55.53 2.46E-02 20 -8.01E-07 1.27E-06 3.52E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 1 35 12.35 115.03 54.81 2.41E-02 20 -6.22E-07 1.36E-06 3.41E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 1 40 12.4 105.43 53.81 2.45E-02 20 -4.08E-07 1.51E-06 3.43E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 1 45 12.45 98.71 46.59 2.88E-02 20 -3.17E-07 2.12E-06 3.62E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 1 50 12.5 95.81 40.61 3.34E-02 20 -2.72E-07 2.73E-06 3.76E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 1 55 12.55 95.4 42.95 3.23E-02 20 -2.36E-07 2.55E-06 3.81E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 1 60 12.6 101.27 51.5 2.54E-02 20 -3.28E-07 1.68E-06 3.45E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 1 65 12.65 100.86 52.73 2.31E-02 20 -2.79E-07 1.49E-06 3.18E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 1 70 12.7 97.91 46.56 2.63E-02 20 -2.64E-07 1.95E-06 3.32E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 1 75 12.75 95.27 41.96 3.19E-02 20 -2.31E-07 2.56E-06 3.69E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 1 80 12.8 104.34 45.21 3.36E-02 20 -6.21E-07 2.48E-06 4.13E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 1 85 12.85 128.46 36 4.30E-02 20 -2.29E-06 2.95E-06 4.38E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 1 90 12.9 135.22 23.76 4.76E-02 20 -3.28E-06 3.33E-06 3.32E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 1 95 12.95 131.16 21.2 3.37E-02 20 -2.19E-06 2.56E-06 2.11E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 1 100 13 114.67 28.02 2.58E-02 20 -1.01E-06 2.25E-06 2.10E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 1 105 13.05 102.17 36.51 2.43E-02 20 -4.37E-07 2.07E-06 2.51E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 1 110 13.1 102.44 41.74 2.02E-02 20 -3.44E-07 1.59E-06 2.33E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 1 115 13.15 103.62 40.36 1.97E-02 20 -3.75E-07 1.58E-06 2.21E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 1 120 13.2 107.1 34.47 2.14E-02 20 -5.51E-07 1.83E-06 2.10E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 1 125 13.25 109.85 29.75 2.09E-02 20 -6.52E-07 1.85E-06 1.79E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 1 130 13.3 110.98 29.91 1.72E-02 20 -5.66E-07 1.51E-06 1.49E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 1 135 13.35 111.11 35.42 1.25E-02 20 -3.88E-07 1.03E-06 1.25E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 1 140 13.4 105.68 35.87 9.19E-03 20 -2.14E-07 7.78E-07 9.34E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 1 145 13.45 101.78 28.89 7.88E-03 20 -1.49E-07 7.32E-07 6.60E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 1 150 13.5 104.18 28.72 4.86E-03 20 -1.11E-07 4.48E-07 4.05E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 2 0 13.5 245.16 -11.57 7.46E-04 20 -3.26E-08 -7.19E-08 -2.59E-08 4/1/97 Yes Yes 0 172 1063 C 3 H 2 5 13.55 125.57 -19.85 3.07E-03 20 -1.78E-07 2.55E-07 -1.81E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 2 10 13.6 116.44 -6.79 7.67E-03 20 -3.59E-07 7.39E-07 -1.57E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 2 15 13.65 117.03 7.99 1.46E-02 20 -6.98E-07 1.40E-06 3.52E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 2 20 13.7 114.66 17.94 1.87E-02 20 -7.88E-07 1.75E-06 9.99E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 2 25 13.75 113.37 29.78 1.71E-02 20 -6.25E-07 1.48E-06 1.47E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 2 30 13.8 118 31.66 1.82E-02 20 -7.70E-07 1.48E-06 1.65E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 2 35 13.85 111.83 21.9 1.89E-02 20 -6.92E-07 1.77E-06 1.22E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 2 40 13.9 108.38 17.36 1.46E-02 20 -4.66E-07 1.44E-06 7.56E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 2 45 13.95 105.8 15.18 1.30E-02 20 -3.62E-07 1.31E-06 5.90E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 2 50 14 110.23 16.27 1.31E-02 20 -4.62E-07 1.28E-06 6.37E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 2 55 14.05 116.18 17.65 1.26E-02 20 -5.63E-07 1.17E-06 6.63E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 2 60 14.1 117.72 20.07 1.24E-02 20 -5.74E-07 1.12E-06 7.37E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 2 65 14.15 114.37 22.02 1.40E-02 20 -5.67E-07 1.28E-06 9.09E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 2 70 14.2 116.96 29.06 1.69E-02 20 -7.09E-07 1.43E-06 1.42E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 2 75 14.25 122.73 43.3 1.69E-02 20 -7.04E-07 1.12E-06 2.01E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 2 80 14.3 125.87 50.48 1.65E-02 20 -6.51E-07 9.20E-07 2.20E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 2 85 14.35 126.34 45.9 1.41E-02 20 -6.18E-07 8.59E-07 1.76E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 2 90 14.4 213.69 76.21 5.08E-03 20 -1.07E-07 -7.29E-08 8.56E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 2 95 14.45 126.29 52.42 1.01E-02 20 -3.88E-07 5.40E-07 1.39E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 2 100 14.5 121.52 33.6 2.21E-02 20 -1.02E-06 1.70E-06 2.12E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 2 105 14.55 121.18 33.1 2.59E-02 20 -1.19E-06 2.02E-06 2.45E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 2 110 14.6 116.26 31.66 2.96E-02 20 -1.18E-06 2.45E-06 2.69E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 2 115 14.65 100.29 39.4 3.31E-02 20 -4.84E-07 2.73E-06 3.64E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 2 120 14.7 90.93 37.27 3.84E-02 20 -5.23E-08 3.31E-06 4.03E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 2 125 14.75 83.83 42.92 2.98E-02 20 2.49E-07 2.35E-06 3.52E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 2 130 14.8 101.27 52.41 2.24E-02 20 -2.83E-07 1.45E-06 3.08E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 2 135 14.85 101.74 57.3 1.99E-02 20 -2.32E-07 1.14E-06 2.90E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 2 140 14.9 60.41 70.37 2.07E-02 20 3.64E-07 6.55E-07 3.38E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 2 145 14.95 113.98 75.74 2.77E-02 20 -2.94E-07 6.76E-07 4.65E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 2 150 15 136.68 44.76 1.97E-02 20 -1.08E-06 1.04E-06 2.40E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 3 0 15 279.4 79.83 3.90E-03 20 1.19E-08 -7.37E-08 6.66E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 3 5 15.05 122.75 72.85 1.26E-02 20 -2.13E-07 3.38E-07 2.08E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 3 10 15.1 113.16 69.94 1.78E-02 20 -2.54E-07 6.08E-07 2.89E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 3 15 15.15 119.01 73.45 1.76E-02 20 -2.58E-07 4.75E-07 2.92E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 3 20 15.2 109.27 76.32 1.82E-02 20 -1.50E-07 4.40E-07 3.06E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 3 25 15.25 97.05 68.13 1.87E-02 20 -9.07E-08 7.50E-07 3.01E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 3 30 15.3 91.65 60.52 1.69E-02 20 -2.53E-08 9.02E-07 2.55E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 3 35 15.35 105.46 70 1.01E-02 20 -9.76E-08 3.61E-07 1.64E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 3 40 15.4 346.36 70.16 6.22E-03 20 2.17E-07 -5.39E-08 1.01E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 3 45 15.45 0.41 64.72 7.80E-03 20 3.53E-07 2.58E-09 1.22E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 3 50 15.5 54.25 60.46 7.67E-03 20 2.34E-07 3.33E-07 1.16E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 3 55 15.55 348.72 50.63 9.42E-03 20 6.22E-07 -1.27E-07 1.26E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 3 60 15.6 319.95 53.86 1.37E-02 20 6.58E-07 -5.65E-07 1.92E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 3 65 15.65 310.57 53.81 1.48E-02 20 6.02E-07 -7.20E-07 2.07E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 3 70 15.7 298.53 48.94 1.62E-02 20 5.40E-07 -1.01E-06 2.12E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 3 75 15.75 280.7 46.67 1.90E-02 20 2.57E-07 -1.39E-06 2.40E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 3 80 15.8 270.58 47.19 2.51E-02 20 1.84E-08 -1.85E-06 3.19E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 3 85 15.85 260.76 49.44 2.55E-02 20 -2.82E-07 -1.77E-06 3.36E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 3 90 15.9 250.59 33.77 2.58E-02 20 -7.56E-07 -2.20E-06 2.49E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 3 95 15.95 253.24 10.12 2.33E-02 20 -7.01E-07 -2.38E-06 7.10E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 3 100 16 263.13 -11.98 1.52E-02 20 -1.89E-07 -1.61E-06 -5.48E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 3 105 16.05 289.76 -41.91 9.63E-03 20 2.57E-07 -7.31E-07 -1.11E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 3 110 16.1 315.65 -57.3 8.92E-03 20 3.66E-07 -3.66E-07 -1.30E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 3 115 16.15 335.74 -67.43 8.56E-03 20 3.18E-07 -1.46E-07 -1.37E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 3 120 16.2 11.73 -76.94 8.20E-03 20 1.92E-07 4.09E-08 -1.38E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 3 125 16.25 19.18 -83.45 7.58E-03 20 8.66E-08 3.08E-08 -1.31E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 3 130 16.3 112.44 -62.66 7.38E-03 20 -1.37E-07 3.40E-07 -1.14E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 3 135 16.35 119.37 -40.48 1.29E-02 20 -5.12E-07 9.31E-07 -1.46E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 3 140 16.4 126.73 -49.61 1.48E-02 20 -6.08E-07 8.33E-07 -1.95E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 3 145 16.45 144.78 -60.7 1.26E-02 20 -5.32E-07 3.84E-07 -1.90E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 3 150 16.5 238.52 -75.86 4.68E-03 20 -6.33E-08 -1.06E-07 -7.86E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 4 0 16.5 124.92 29.75 2.10E-03 20 -1.11E-07 1.62E-07 1.81E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 4 5 16.55 118.28 15.48 1.24E-02 20 -5.99E-07 1.14E-06 5.72E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 4 10 16.6 114.33 21.51 1.26E-02 20 -5.12E-07 1.16E-06 8.01E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 4 15 16.65 102.63 19.07 1.02E-02 20 -2.23E-07 1.02E-06 5.77E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 4 20 16.7 94.46 17.94 8.51E-03 20 -6.67E-08 8.75E-07 4.54E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 4 25 16.75 94.86 21.27 5.57E-03 20 -4.67E-08 5.61E-07 3.50E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 4 30 16.8 95.75 26.04 5.97E-03 20 -5.70E-08 5.79E-07 4.54E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 4 35 16.85 101.51 26.99 6.51E-03 20 -1.23E-07 6.16E-07 5.12E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 4 40 16.9 106.13 27.76 7.74E-03 20 -2.02E-07 7.13E-07 6.25E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 4 45 16.95 115.97 34.85 8.00E-03 20 -3.05E-07 6.40E-07 7.93E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 4 50 17 143.38 44.32 7.39E-03 20 -4.50E-07 3.42E-07 8.95E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 4 55 17.05 152.32 39.71 8.89E-03 20 -6.42E-07 3.45E-07 9.85E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 4 60 17.1 118.85 43.39 1.45E-02 20 -5.39E-07 1.00E-06 1.73E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 4 65 17.15 106.58 50.13 2.01E-02 20 -3.90E-07 1.34E-06 2.68E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 4 70 17.2 92.81 56.13 2.09E-02 20 -6.04E-08 1.26E-06 3.00E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 4 75 17.25 87.13 59.54 2.00E-02 20 5.37E-08 1.10E-06 2.98E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 4 80 17.3 85.96 64.55 1.78E-02 20 5.72E-08 8.30E-07 2.79E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 4 85 17.35 91.76 60.79 1.97E-02 20 -3.13E-08 1.04E-06 2.99E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 4 90 17.4 105.9 53.48 2.08E-02 20 -3.60E-07 1.29E-06 2.90E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 4 95 17.45 116.82 58.51 1.86E-02 20 -4.65E-07 9.40E-07 2.75E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 4 100 17.5 126.09 62.64 2.10E-02 20 -6.04E-07 8.47E-07 3.24E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 4 105 17.55 110.19 59.35 2.54E-02 20 -4.74E-07 1.32E-06 3.79E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 4 110 17.6 104.72 52.45 2.72E-02 20 -4.46E-07 1.74E-06 3.74E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 4 115 17.65 96.09 51.48 2.17E-02 20 -1.52E-07 1.46E-06 2.95E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 4 120 17.7 78.34 52.48 1.72E-02 20 2.25E-07 1.11E-06 2.37E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 4 125 17.75 87.37 45.54 1.60E-02 20 5.46E-08 1.22E-06 1.98E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 4 130 17.8 96.92 33.41 1.88E-02 20 -2.01E-07 1.69E-06 1.79E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 4 135 17.85 105.13 30.71 1.89E-02 20 -4.50E-07 1.70E-06 1.67E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 4 140 17.9 105.64 37.88 1.54E-02 20 -3.48E-07 1.27E-06 1.64E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 4 145 17.95 98.84 38.72 1.59E-02 20 -2.03E-07 1.33E-06 1.73E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 4 150 18 105.83 40.29 1.30E-02 20 -2.87E-07 1.03E-06 1.46E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 0 18 107.74 82.85 4.03E-03 20 -1.62E-08 5.19E-08 6.94E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 5 5 18.05 113.9 53.91 1.46E-02 20 -3.69E-07 8.50E-07 2.04E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 10 18.1 108.48 50.4 1.89E-02 20 -4.06E-07 1.24E-06 2.53E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 15 18.15 101.96 48.22 1.82E-02 20 -2.66E-07 1.28E-06 2.35E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 20 18.2 94.16 43.19 1.90E-02 20 -1.06E-07 1.50E-06 2.25E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 25 18.25 91.42 36.79 2.60E-02 20 -5.46E-08 2.26E-06 2.70E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 30 18.3 90.28 36.47 3.10E-02 20 -1.31E-08 2.70E-06 3.19E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 35 18.35 87.61 36.98 3.00E-02 20 1.06E-07 2.60E-06 3.13E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 40 18.4 89.69 34.04 2.62E-02 20 1.23E-08 2.35E-06 2.54E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 45 18.45 95.78 34.58 1.79E-02 20 -1.58E-07 1.59E-06 1.76E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 50 18.5 98.02 36.52 1.28E-02 20 -1.53E-07 1.11E-06 1.32E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 55 18.55 98.59 32.72 1.36E-02 20 -1.82E-07 1.23E-06 1.28E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 60 18.6 101.26 36.12 1.20E-02 20 -2.01E-07 1.03E-06 1.23E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 65 18.65 105.26 53.1 9.99E-03 20 -1.67E-07 6.28E-07 1.38E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 70 18.7 98.44 60.27 1.15E-02 20 -8.84E-08 6.09E-07 1.72E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 75 18.75 87.43 54.71 1.41E-02 20 3.89E-08 8.85E-07 2.00E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 80 18.8 92.93 50.5 1.62E-02 20 -5.60E-08 1.12E-06 2.17E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 85 18.85 96.75 49.39 1.68E-02 20 -1.36E-07 1.18E-06 2.21E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 90 18.9 96 50.52 1.60E-02 20 -1.13E-07 1.10E-06 2.14E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 95 18.95 89.82 48.93 1.80E-02 20 3.84E-09 1.28E-06 2.35E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 100 19 90.7 50.62 1.84E-02 20 -1.52E-08 1.27E-06 2.47E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 105 19.05 91.93 50.73 1.78E-02 20 -4.03E-08 1.22E-06 2.39E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 110 19.1 90.01 47.55 1.77E-02 20 -2.78E-10 1.29E-06 2.26E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 115 19.15 84.1 38.97 2.02E-02 20 1.71E-07 1.69E-06 2.20E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 120 19.2 79.27 32.57 2.09E-02 20 3.48E-07 1.88E-06 1.95E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 125 19.25 78.05 35.33 1.83E-02 20 3.29E-07 1.59E-06 1.84E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 130 19.3 75.96 39.98 1.42E-02 20 2.80E-07 1.14E-06 1.58E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 135 19.35 71.62 40.17 1.37E-02 20 3.49E-07 1.08E-06 1.53E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 140 19.4 71.85 42.5 1.56E-02 20 3.79E-07 1.18E-06 1.82E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 145 19.45 69.68 39.59 1.82E-02 20 5.18E-07 1.43E-06 2.01E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 5 150 19.5 73.59 36.57 1.79E-02 20 4.31E-07 1.50E-06 1.85E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 6 0 19.5 45.88 51.71 3.24E-03 20 1.48E-07 1.56E-07 4.41E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 6 5 19.55 68.69 30.54 1.46E-02 20 4.86E-07 1.27E-06 1.29E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 6 10 19.6 75.4 37.38 1.48E-02 20 3.15E-07 1.24E-06 1.56E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 6 15 19.65 80.84 43.9 1.44E-02 20 1.76E-07 1.11E-06 1.74E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 6 20 19.7 75.29 34.45 1.78E-02 20 3.94E-07 1.54E-06 1.74E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 6 25 19.75 66.09 23.62 2.18E-02 20 8.60E-07 1.98E-06 1.52E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 6 30 19.8 68.15 13.61 2.18E-02 20 8.37E-07 2.13E-06 8.90E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 6 35 19.85 71.09 9.74 1.11E-02 20 3.77E-07 1.12E-06 3.26E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 6 40 19.9 79.76 15.98 7.51E-03 20 1.36E-07 7.71E-07 3.59E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 6 45 19.95 76.33 28.99 8.99E-03 20 1.97E-07 8.29E-07 7.55E-07 4/1/97 Yes Yes 0 172 1063 C 3 H 6 50 20 70.16 60.36 1.26E-02 20 2.24E-07 6.36E-07 1.90E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 6 55 20.05 119.76 55.23 1.40E-02 20 -4.21E-07 7.54E-07 2.00E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 6 60 20.1 91.76 40.66 1.36E-02 20 -3.36E-08 1.12E-06 1.53E-06 4/1/97 Yes Yes 0 172 1063 C 3 H 6 65 20.15 30.43 38.66 1.71E-02 20 1.22E-06 7.34E-07 1.85E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 1 0 21.5 118.2 -31.24 1.32E-03 20 -5.66E-08 1.08E-07 -1.19E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 1 5 21.55 121.06 -39.6 7.58E-03 20 -3.19E-07 5.42E-07 -8.37E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 1 10 21.6 250.9 -76.63 3.80E-03 20 -3.05E-08 -9.01E-08 -6.41E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 1 15 21.65 291.17 51.27 2.22E-03 20 5.32E-08 -1.40E-07 3.00E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 1 20 21.7 260.31 28.34 8.90E-03 20 -1.40E-07 -8.38E-07 7.33E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 1 25 21.75 267.38 48.21 1.04E-02 20 -3.37E-08 -7.53E-07 1.35E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 1 30 21.8 267.16 60.85 1.38E-02 20 -3.54E-08 -7.30E-07 2.09E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 1 35 21.85 258.22 67.73 1.85E-02 20 -1.52E-07 -7.44E-07 2.97E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 1 40 21.9 241.79 71.69 2.18E-02 20 -3.43E-07 -6.55E-07 3.59E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 1 45 21.95 236.39 73.53 2.37E-02 20 -3.95E-07 -6.07E-07 3.94E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 1 50 22 236.42 77.46 2.49E-02 20 -3.18E-07 -4.89E-07 4.22E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 1 55 22.05 239.94 76.52 2.80E-02 20 -3.47E-07 -6.13E-07 4.72E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 1 60 22.1 225.62 77.76 2.91E-02 20 -4.57E-07 -4.78E-07 4.92E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 1 65 22.15 203.91 80.29 2.73E-02 20 -4.45E-07 -2.02E-07 4.66E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 1 70 22.2 214.47 80.39 2.60E-02 20 -3.79E-07 -2.66E-07 4.44E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 1 75 22.25 205.1 77.17 2.39E-02 20 -5.09E-07 -2.44E-07 4.03E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 1 80 22.3 200.63 74.87 1.91E-02 20 -4.96E-07 -1.91E-07 3.20E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 1 85 22.35 203.15 74.07 1.42E-02 20 -3.79E-07 -1.66E-07 2.36E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 1 90 22.4 205.35 77.19 1.05E-02 20 -2.23E-07 -1.08E-07 1.77E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 1 95 22.45 228.42 67.48 9.56E-03 20 -2.58E-07 -2.97E-07 1.53E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 1 100 22.5 234.24 47.1 1.25E-02 20 -5.26E-07 -7.47E-07 1.58E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 1 105 22.55 236.49 41.74 1.90E-02 20 -8.31E-07 -1.28E-06 2.20E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 1 110 22.6 235.27 46.4 2.40E-02 20 -1.00E-06 -1.48E-06 3.01E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 1 115 22.65 233.74 56.57 2.56E-02 20 -8.84E-07 -1.23E-06 3.70E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 1 120 22.7 227.39 64.56 2.76E-02 20 -8.51E-07 -9.45E-07 4.32E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 1 125 22.75 213.09 62.83 2.74E-02 20 -1.11E-06 -7.40E-07 4.22E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 1 130 22.8 209.71 54.55 2.83E-02 20 -1.51E-06 -8.82E-07 3.99E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 1 135 22.85 226.35 46.66 3.42E-02 20 -1.72E-06 -1.84E-06 4.32E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 1 140 22.9 244.32 53.25 3.48E-02 20 -9.57E-07 -2.04E-06 4.83E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 1 145 22.95 254.35 56.56 3.03E-02 20 -4.78E-07 -1.75E-06 4.39E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 1 150 23 254.01 34.27 2.48E-02 20 -5.99E-07 -2.14E-06 2.42E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 2 0 23 267.17 46.36 4.40E-03 20 -1.59E-08 -3.29E-07 5.52E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 2 5 23.05 264.48 16.02 3.92E-02 20 -3.85E-07 -4.07E-06 1.88E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 2 10 23.1 262.9 21.97 4.17E-02 20 -5.08E-07 -4.17E-06 2.71E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 2 15 23.15 243.87 27.17 2.69E-02 20 -1.12E-06 -2.33E-06 2.13E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 2 20 23.2 235.8 11.69 2.31E-02 20 -1.35E-06 -2.03E-06 8.10E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 2 25 23.25 244.74 1.24 2.48E-02 20 -1.12E-06 -2.43E-06 9.31E-08 4/1/97 Yes Yes 0 172 1063 C 4 H 2 30 23.3 253.38 2.35 2.80E-02 20 -8.49E-07 -2.91E-06 1.99E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 2 35 23.35 251.63 11.66 2.97E-02 20 -9.73E-07 -3.00E-06 1.04E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 2 40 23.4 249.53 22.55 3.41E-02 20 -1.17E-06 -3.20E-06 2.26E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 2 45 23.45 247.23 30.03 3.63E-02 20 -1.29E-06 -3.15E-06 3.15E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 2 50 23.5 239.17 27.68 4.02E-02 20 -1.94E-06 -3.32E-06 3.24E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 2 55 23.55 235.81 23.93 3.47E-02 20 -1.89E-06 -2.85E-06 2.44E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 2 60 23.6 238.82 24.7 2.26E-02 20 -1.13E-06 -1.90E-06 1.64E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 2 65 23.65 244.77 20.22 2.15E-02 20 -9.11E-07 -1.98E-06 1.29E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 2 70 23.7 242.43 20.05 2.11E-02 20 -9.73E-07 -1.90E-06 1.25E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 2 75 23.75 239.14 21.41 2.02E-02 20 -1.02E-06 -1.75E-06 1.28E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 2 80 23.8 239.93 23.23 2.25E-02 20 -1.10E-06 -1.94E-06 1.54E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 2 85 23.85 237.69 26.79 2.22E-02 20 -1.12E-06 -1.82E-06 1.74E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 2 90 23.9 236.68 29.09 2.23E-02 20 -1.14E-06 -1.77E-06 1.88E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 2 95 23.95 241.35 25.53 2.65E-02 20 -1.22E-06 -2.28E-06 1.98E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 2 100 24 246.06 24.72 2.46E-02 20 -9.61E-07 -2.21E-06 1.78E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 2 105 24.05 251.7 28.17 2.11E-02 20 -6.20E-07 -1.92E-06 1.73E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 2 110 24.1 251.2 28.01 2.22E-02 20 -6.69E-07 -2.01E-06 1.80E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 2 115 24.15 255.51 31.66 2.23E-02 20 -5.03E-07 -1.99E-06 2.03E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 2 120 24.2 259.36 46.08 2.04E-02 20 -2.77E-07 -1.51E-06 2.55E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 2 125 24.25 251.06 57.09 2.08E-02 20 -3.89E-07 -1.16E-06 3.03E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 2 130 24.3 234.38 53.06 2.61E-02 20 -9.70E-07 -1.38E-06 3.62E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 2 135 24.35 223.12 48.36 2.90E-02 20 -1.49E-06 -1.43E-06 3.76E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 2 140 24.4 223.63 43.78 3.01E-02 20 -1.67E-06 -1.63E-06 3.61E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 2 145 24.45 226.97 36.67 3.38E-02 20 -1.96E-06 -2.15E-06 3.50E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 2 150 24.5 231.11 33 2.55E-02 20 -1.42E-06 -1.80E-06 2.40E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 3 0 24.5 229.49 55.73 6.48E-03 20 -2.51E-07 -3.01E-07 9.28E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 3 5 24.55 230.98 32.03 2.61E-02 20 -1.48E-06 -1.87E-06 2.40E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 3 10 24.6 229.94 34.47 2.76E-02 20 -1.55E-06 -1.89E-06 2.71E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 3 15 24.65 226.82 33.21 2.77E-02 20 -1.68E-06 -1.83E-06 2.63E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 3 20 24.7 223.97 30.56 2.69E-02 20 -1.77E-06 -1.75E-06 2.38E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 3 25 24.75 224.29 28.54 2.99E-02 20 -1.99E-06 -1.99E-06 2.48E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 3 30 24.8 220.56 27.55 3.12E-02 20 -2.23E-06 -1.95E-06 2.50E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 3 35 24.85 219.51 31.02 2.79E-02 20 -1.96E-06 -1.65E-06 2.50E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 3 40 24.9 218.94 36.1 2.28E-02 20 -1.52E-06 -1.25E-06 2.33E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 3 45 24.95 215.88 37.35 2.00E-02 20 -1.36E-06 -1.01E-06 2.10E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 3 50 25 227.2 39.27 1.83E-02 20 -1.02E-06 -1.13E-06 2.01E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 3 55 25.05 240.57 46.41 1.71E-02 20 -6.15E-07 -1.11E-06 2.15E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 3 60 25.1 240.02 44.02 2.26E-02 20 -8.63E-07 -1.53E-06 2.73E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 3 65 25.15 233.64 39.81 2.67E-02 20 -1.29E-06 -1.79E-06 2.97E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 3 70 25.2 228.21 37.4 2.61E-02 20 -1.46E-06 -1.67E-06 2.74E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 3 75 25.25 218.26 34.73 2.22E-02 20 -1.52E-06 -1.22E-06 2.19E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 3 80 25.3 215.64 34.89 1.90E-02 20 -1.34E-06 -9.86E-07 1.89E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 3 85 25.35 222.9 37.43 1.79E-02 20 -1.10E-06 -1.05E-06 1.89E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 3 90 25.4 229.61 36.4 1.90E-02 20 -1.05E-06 -1.26E-06 1.95E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 3 95 25.45 235.7 42.09 1.65E-02 20 -7.31E-07 -1.10E-06 1.92E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 3 100 25.5 243.29 42.58 1.66E-02 20 -5.82E-07 -1.18E-06 1.95E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 3 105 25.55 242.04 44.34 1.31E-02 20 -4.65E-07 -8.95E-07 1.58E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 3 110 25.6 242.88 43.43 1.10E-02 20 -3.87E-07 -7.72E-07 1.31E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 3 115 25.65 239.44 31.76 1.60E-02 20 -7.35E-07 -1.27E-06 1.46E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 3 120 25.7 235 30.65 1.55E-02 20 -8.13E-07 -1.19E-06 1.37E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 3 125 25.75 234.3 35.92 1.08E-02 20 -5.42E-07 -7.71E-07 1.10E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 3 130 25.8 232.49 44.8 7.73E-03 20 -3.54E-07 -4.72E-07 9.45E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 3 135 25.85 239.97 43.26 6.59E-03 20 -2.55E-07 -4.51E-07 7.84E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 3 140 25.9 252.08 45.4 6.38E-03 20 -1.46E-07 -4.62E-07 7.87E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 3 145 25.95 254.82 46.6 6.65E-03 20 -1.27E-07 -4.78E-07 8.37E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 3 150 26 255.83 46.44 6.26E-03 20 -1.12E-07 -4.54E-07 7.87E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 4 0 26 279.76 64.6 2.09E-03 20 1.61E-08 -9.59E-08 3.28E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 4 5 26.05 251.06 28.74 9.96E-03 20 -3.01E-07 -8.96E-07 8.30E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 4 10 26.1 220.29 57.27 8.75E-03 20 -3.83E-07 -3.32E-07 1.28E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 4 15 26.15 222.04 56.64 1.40E-02 20 -6.08E-07 -5.60E-07 2.03E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 4 20 26.2 213.94 47.47 1.55E-02 20 -9.23E-07 -6.35E-07 1.98E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 4 25 26.25 211.65 36.84 1.45E-02 20 -1.05E-06 -6.59E-07 1.50E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 4 30 26.3 224.92 41.07 1.08E-02 20 -6.14E-07 -6.26E-07 1.23E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 4 35 26.35 231.18 41.46 1.14E-02 20 -5.67E-07 -7.20E-07 1.31E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 4 40 26.4 228.26 36.68 1.33E-02 20 -7.53E-07 -8.63E-07 1.38E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 4 45 26.45 225.21 33.53 1.33E-02 20 -8.27E-07 -8.52E-07 1.27E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 4 50 26.5 228.97 39.74 1.09E-02 20 -5.83E-07 -6.85E-07 1.21E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 4 55 26.55 233.04 40.81 9.69E-03 20 -4.68E-07 -6.36E-07 1.10E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 4 60 26.6 228.19 32.27 8.43E-03 20 -5.04E-07 -5.76E-07 7.80E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 4 65 26.65 233.42 29.25 6.44E-03 20 -3.55E-07 -4.89E-07 5.45E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 4 70 26.7 230.31 44.24 2.78E-03 20 -1.35E-07 -1.66E-07 3.36E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 4 75 26.75 242.03 46.66 2.65E-03 20 -9.05E-08 -1.74E-07 3.34E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 4 80 26.8 266.59 44.67 3.95E-03 20 -1.77E-08 -3.04E-07 4.82E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 4 85 26.85 270.55 48.09 6.34E-03 20 4.27E-09 -4.59E-07 8.18E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 4 90 26.9 246.9 41.08 1.00E-02 20 -3.14E-07 -7.53E-07 1.14E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 4 95 26.95 233.33 33.63 1.11E-02 20 -5.86E-07 -8.05E-07 1.07E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 4 100 27 224.07 36.01 8.72E-03 20 -5.38E-07 -5.32E-07 8.89E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 4 105 27.05 224.52 43.81 6.42E-03 20 -3.50E-07 -3.52E-07 7.70E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 4 110 27.1 239.55 52.59 6.35E-03 20 -2.07E-07 -3.61E-07 8.74E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 4 115 27.15 239.73 53.53 7.88E-03 20 -2.50E-07 -4.39E-07 1.10E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 4 120 27.2 233.52 47.87 8.59E-03 20 -3.63E-07 -5.03E-07 1.10E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 4 125 27.25 233.05 47.92 7.98E-03 20 -3.41E-07 -4.64E-07 1.03E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 4 130 27.3 236.8 42.18 8.84E-03 20 -3.80E-07 -5.95E-07 1.03E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 4 135 27.35 237.17 48 9.46E-03 20 -3.64E-07 -5.77E-07 1.22E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 4 140 27.4 230.68 57.79 9.94E-03 20 -3.56E-07 -4.45E-07 1.46E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 4 145 27.45 237.14 56.3 1.09E-02 20 -3.47E-07 -5.50E-07 1.57E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 4 150 27.5 235.56 54.66 8.15E-03 20 -2.83E-07 -4.21E-07 1.15E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 5 0 27.5 174.66 87.79 2.23E-03 20 -9.06E-09 8.65E-10 3.86E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 5 5 27.55 237.37 51.47 7.98E-03 20 -2.84E-07 -4.54E-07 1.08E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 5 10 27.6 239.63 45.4 9.43E-03 20 -3.55E-07 -6.20E-07 1.16E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 5 15 27.65 246.43 43.04 9.78E-03 20 -3.03E-07 -7.10E-07 1.16E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 5 20 27.7 248.53 41.46 1.06E-02 20 -3.08E-07 -8.01E-07 1.21E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 5 25 27.75 244.8 44.41 9.41E-03 20 -3.04E-07 -6.60E-07 1.14E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 5 30 27.8 236.91 51.46 7.78E-03 20 -2.81E-07 -4.40E-07 1.05E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 5 35 27.85 235.87 55.3 7.44E-03 20 -2.52E-07 -3.80E-07 1.06E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 5 40 27.9 238.13 54.64 9.32E-03 20 -3.02E-07 -4.97E-07 1.32E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 5 45 27.95 221.03 54.84 1.01E-02 20 -4.64E-07 -4.12E-07 1.43E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 5 50 28 234.64 59.11 8.38E-03 20 -2.64E-07 -3.81E-07 1.25E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 5 55 28.05 246.5 61.96 7.90E-03 20 -1.57E-07 -3.69E-07 1.21E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 5 60 28.1 241.11 53.23 9.15E-03 20 -2.81E-07 -5.20E-07 1.27E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 5 65 28.15 236.76 51.52 7.40E-03 20 -2.68E-07 -4.18E-07 1.00E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 5 70 28.2 252.89 46.99 5.40E-03 20 -1.15E-07 -3.82E-07 6.85E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 5 75 28.25 254.77 38.05 5.27E-03 20 -1.16E-07 -4.34E-07 5.63E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 5 80 28.3 254.26 33.16 5.16E-03 20 -1.24E-07 -4.51E-07 4.90E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 5 85 28.35 259.22 28.98 7.34E-03 20 -1.27E-07 -6.84E-07 6.16E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 5 90 28.4 248.48 34.16 8.23E-03 20 -2.65E-07 -6.87E-07 8.01E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 5 95 28.45 239.34 37.1 8.79E-03 20 -3.79E-07 -6.54E-07 9.19E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 5 100 28.5 233.09 39.41 8.74E-03 20 -4.30E-07 -5.85E-07 9.62E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 5 105 28.55 236.5 44.71 8.52E-03 20 -3.55E-07 -5.48E-07 1.04E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 5 110 28.6 237.17 46.62 1.01E-02 20 -3.99E-07 -6.33E-07 1.27E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 5 115 28.65 235.58 43.13 1.34E-02 20 -5.88E-07 -8.77E-07 1.59E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 5 120 28.7 238.38 37.13 1.62E-02 20 -7.19E-07 -1.19E-06 1.70E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 5 125 28.75 248.38 36.06 1.55E-02 20 -4.89E-07 -1.26E-06 1.58E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 5 130 28.8 253.63 38.63 1.38E-02 20 -3.22E-07 -1.12E-06 1.49E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 5 135 28.85 247.27 41.86 1.12E-02 20 -3.43E-07 -8.36E-07 1.30E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 5 140 28.9 253.89 41.84 1.21E-02 20 -2.66E-07 -9.43E-07 1.40E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 5 145 28.95 256.5 40.2 1.59E-02 20 -3.00E-07 -1.28E-06 1.77E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 5 150 29 253.26 40.93 1.34E-02 20 -3.08E-07 -1.05E-06 1.52E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 6 0 29 237.91 79.49 4.57E-03 20 -4.70E-08 -7.66E-08 7.79E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 6 5 29.05 252.16 36.67 2.24E-02 20 -5.84E-07 -1.85E-06 2.32E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 6 10 29.1 251.34 32.91 2.58E-02 20 -7.34E-07 -2.22E-06 2.43E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 6 15 29.15 246.52 40.82 1.59E-02 20 -5.08E-07 -1.20E-06 1.80E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 6 20 29.2 234.68 49.29 1.25E-02 20 -5.00E-07 -7.22E-07 1.64E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 6 25 29.25 224.09 48.78 1.26E-02 20 -6.35E-07 -6.29E-07 1.65E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 6 30 29.3 219.37 47.07 1.14E-02 20 -6.39E-07 -5.36E-07 1.45E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 6 35 29.35 222.52 46.24 9.85E-03 20 -5.32E-07 -4.99E-07 1.23E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 6 40 29.4 237.22 42.75 1.05E-02 20 -4.42E-07 -7.01E-07 1.23E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 6 45 29.45 241.3 40.75 1.13E-02 20 -4.35E-07 -8.13E-07 1.28E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 6 50 29.5 240.86 44.12 1.07E-02 20 -3.98E-07 -7.30E-07 1.30E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 6 55 29.55 240.98 46.4 9.11E-03 20 -3.23E-07 -5.96E-07 1.14E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 6 60 29.6 251.31 45.45 7.56E-03 20 -1.80E-07 -5.45E-07 9.33E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 6 65 29.65 253.58 35.64 7.57E-03 20 -1.84E-07 -6.40E-07 7.64E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 6 70 29.7 243.25 18.57 5.91E-03 20 -2.67E-07 -5.42E-07 3.26E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 6 75 29.75 247.31 -1.73 5.27E-03 20 -2.16E-07 -5.27E-07 -2.76E-08 4/1/97 Yes Yes 0 172 1063 C 4 H 6 80 29.8 252.15 -12.35 4.27E-03 20 -1.36E-07 -4.31E-07 -1.59E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 6 85 29.85 236.16 3.95 8.25E-03 20 -4.86E-07 -7.42E-07 9.85E-08 4/1/97 Yes Yes 0 172 1063 C 4 H 6 90 29.9 227.8 6.66 1.49E-02 20 -1.06E-06 -1.19E-06 3.00E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 6 95 29.95 223.07 11.23 9.46E-03 20 -7.19E-07 -6.87E-07 3.19E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 6 100 30 223.48 24.46 4.94E-03 20 -3.46E-07 -3.35E-07 3.54E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 6 105 30.05 232.67 24.21 6.15E-03 20 -3.61E-07 -4.84E-07 4.37E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 6 110 30.1 237.12 18.7 7.59E-03 20 -4.14E-07 -6.55E-07 4.22E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 6 115 30.15 246.61 6.71 6.86E-03 20 -2.87E-07 -6.78E-07 1.39E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 6 120 30.2 237.41 -7.13 5.19E-03 20 -2.94E-07 -4.70E-07 -1.12E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 6 125 30.25 229.47 -12 4.16E-03 20 -2.81E-07 -3.36E-07 -1.50E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 6 130 30.3 230.36 -19.86 3.56E-03 20 -2.27E-07 -2.80E-07 -2.10E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 6 135 30.35 220.74 -32.53 3.65E-03 20 -2.48E-07 -2.18E-07 -3.41E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 6 140 30.4 226.31 -49.38 3.92E-03 20 -1.87E-07 -2.00E-07 -5.16E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 6 145 30.45 236.9 -37.18 4.93E-03 20 -2.28E-07 -3.57E-07 -5.17E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 6 150 30.5 258.72 -19.21 4.15E-03 20 -8.13E-08 -4.17E-07 -2.37E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 7 0 30.5 149.61 42.85 8.28E-04 20 -5.55E-08 3.33E-08 9.76E-08 4/1/97 Yes Yes 0 172 1063 C 4 H 7 5 30.55 232.18 23.89 3.70E-03 20 -2.20E-07 -2.90E-07 2.60E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 7 10 30.6 252.97 16.08 4.70E-03 20 -1.40E-07 -4.69E-07 2.26E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 7 15 30.65 258.21 18.83 4.90E-03 20 -1.01E-07 -4.92E-07 2.74E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 7 20 30.7 242.68 28.39 4.58E-03 20 -1.96E-07 -3.88E-07 3.77E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 7 25 30.75 241.44 27.88 5.45E-03 20 -2.44E-07 -4.59E-07 4.42E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 7 30 30.8 255.84 32.8 6.67E-03 20 -1.46E-07 -5.90E-07 6.27E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 7 35 30.85 254.1 42.32 7.31E-03 20 -1.57E-07 -5.64E-07 8.53E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 7 40 30.9 258.13 50.19 6.87E-03 20 -9.59E-08 -4.67E-07 9.15E-07 4/1/97 Yes Yes 0 172 1063 C 4 H 7 45 30.95 287.82 62 8.90E-03 20 1.36E-07 -4.31E-07 1.36E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 7 50 31 231.04 67.37 1.23E-02 20 -3.15E-07 -3.98E-07 1.96E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 7 55 31.05 204.91 53 1.06E-02 20 -6.15E-07 -2.92E-07 1.47E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 7 60 31.1 237.01 57.97 7.91E-03 20 -2.42E-07 -3.82E-07 1.16E-06 4/1/97 Yes Yes 0 172 1063 C 4 H 7 65 31.15 305.14 48.17 1.36E-02 20 5.55E-07 -8.06E-07 1.76E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 0 31 193.7 68.15 1.63E-02 20 -6.27E-07 -1.56E-07 2.63E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 5 31.05 152.55 76.48 1.97E-02 20 -4.32E-07 2.30E-07 3.31E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 10 31.1 29.6 37.97 1.54E-02 20 1.12E-06 6.49E-07 1.64E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 15 31.15 24.57 34.6 1.51E-02 20 1.20E-06 5.61E-07 1.49E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 20 31.2 26.54 45 1.44E-02 20 9.68E-07 4.95E-07 1.77E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 25 31.25 25.26 51.2 1.62E-02 20 9.71E-07 4.68E-07 2.18E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 30 31.3 24.46 57.3 1.94E-02 20 1.01E-06 4.69E-07 2.82E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 35 31.35 8.13 60.7 2.64E-02 20 1.35E-06 1.98E-07 3.98E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 40 31.4 5.35 67.79 2.31E-02 20 9.24E-07 8.84E-08 3.71E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 45 31.45 17.07 64.31 1.88E-02 20 8.28E-07 2.60E-07 2.94E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 50 31.5 14.76 62.26 1.60E-02 20 7.63E-07 2.05E-07 2.45E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 55 31.55 6.93 64.91 1.23E-02 20 5.49E-07 6.83E-08 1.93E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 60 31.6 350.51 57.19 1.19E-02 20 6.77E-07 -1.16E-07 1.74E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 65 31.65 348.42 57.82 1.19E-02 20 6.60E-07 -1.38E-07 1.75E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 70 31.7 358.41 55.26 1.35E-02 20 8.17E-07 -2.32E-08 1.93E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 75 31.75 0.69 50.89 1.81E-02 20 1.21E-06 1.51E-08 2.44E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 80 31.8 1.06 57.02 2.08E-02 20 1.20E-06 2.27E-08 3.03E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 85 31.85 4.25 61.58 2.04E-02 20 1.03E-06 7.80E-08 3.11E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 90 31.9 358.32 58.26 2.01E-02 20 1.12E-06 -3.35E-08 2.96E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 95 31.95 352.63 56.28 1.90E-02 20 1.11E-06 -1.47E-07 2.75E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 100 32 352.83 58.7 1.71E-02 20 9.36E-07 -1.20E-07 2.54E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 105 32.05 357.89 55.99 1.58E-02 20 9.36E-07 -3.53E-08 2.27E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 110 32.1 353.62 51.96 1.40E-02 20 9.06E-07 -1.04E-07 1.91E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 115 32.15 342.02 50.75 1.08E-02 20 6.87E-07 -2.28E-07 1.44E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 120 32.2 355.54 43.4 1.11E-02 20 8.52E-07 -6.79E-08 1.32E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 125 32.25 29.33 42.11 1.43E-02 20 9.78E-07 5.62E-07 1.66E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 130 32.3 42.02 48.46 1.28E-02 20 6.68E-07 6.15E-07 1.66E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 135 32.35 47.31 45.72 1.37E-02 20 6.89E-07 7.64E-07 1.70E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 140 32.4 40.8 40.07 1.56E-02 20 9.59E-07 8.46E-07 1.74E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 145 32.45 39.64 45.58 1.08E-02 20 6.20E-07 5.25E-07 1.34E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 1 150 32.5 95.46 75.34 2.86E-03 20 -7.29E-09 7.80E-08 4.79E-07 4/1/97 Yes Yes 0 172 1063 C 5 H 2 0 32.5 292.63 73.03 1.02E-03 20 1.21E-08 -2.97E-08 1.69E-07 4/1/97 Yes Yes 0 172 1063 C 5 H 2 5 32.55 53.53 43.67 5.26E-03 20 2.40E-07 3.32E-07 6.29E-07 4/1/97 Yes Yes 0 172 1063 C 5 H 2 10 32.6 58.47 44.75 7.84E-03 20 3.09E-07 5.14E-07 9.56E-07 4/1/97 Yes Yes 0 172 1063 C 5 H 2 15 32.65 52.8 45.53 8.41E-03 20 3.78E-07 5.09E-07 1.04E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 2 20 32.7 55.88 44.27 8.58E-03 20 3.66E-07 5.52E-07 1.04E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 2 25 32.75 81.82 45.4 5.57E-03 20 5.90E-08 4.20E-07 6.87E-07 4/1/97 Yes Yes 0 172 1063 C 5 H 2 30 32.8 209.46 36.29 1.50E-03 20 -1.12E-07 -6.46E-08 1.54E-07 4/1/97 Yes Yes 0 172 1063 C 5 H 2 35 32.85 230.51 5.34 2.09E-03 20 -1.40E-07 -1.74E-07 3.37E-08 4/1/97 Yes Yes 0 172 1063 C 5 H 2 40 32.9 255.27 47.17 1.32E-03 20 -2.43E-08 -9.43E-08 1.68E-07 4/1/97 Yes Yes 0 172 1063 C 5 H 2 45 32.95 39.71 24.45 9.51E-03 20 7.06E-07 6.00E-07 6.82E-07 4/1/97 Yes Yes 0 172 1063 C 5 H 2 50 33 40.02 22.32 1.40E-02 20 1.05E-06 9.04E-07 9.22E-07 4/1/97 Yes Yes 0 172 1063 C 5 H 2 55 33.05 39.52 21.05 1.33E-02 20 1.02E-06 8.60E-07 8.31E-07 4/1/97 Yes Yes 0 172 1063 C 5 H 2 60 33.1 45.81 18.49 1.65E-02 20 1.15E-06 1.21E-06 9.05E-07 4/1/97 Yes Yes 0 172 1063 C 5 H 2 65 33.15 48.44 22.84 1.80E-02 20 1.16E-06 1.34E-06 1.21E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 2 70 33.2 47.94 31.14 1.71E-02 20 1.04E-06 1.18E-06 1.53E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 2 75 33.25 47.11 37.59 1.67E-02 20 9.52E-07 1.05E-06 1.76E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 2 80 33.3 40.5 34.42 2.18E-02 20 1.45E-06 1.27E-06 2.13E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 2 85 33.35 36.18 34.61 2.70E-02 20 1.91E-06 1.43E-06 2.66E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 2 90 33.4 33.16 39.73 2.40E-02 20 1.64E-06 1.09E-06 2.66E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 2 95 33.45 29.29 40.27 2.44E-02 20 1.72E-06 9.87E-07 2.73E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 2 100 33.5 28.86 36.03 3.03E-02 20 2.27E-06 1.28E-06 3.09E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 2 105 33.55 31.7 31.98 3.61E-02 20 2.76E-06 1.75E-06 3.31E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 2 110 33.6 33.21 32.63 3.36E-02 20 2.51E-06 1.68E-06 3.14E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 2 115 33.65 32.89 34.46 2.79E-02 20 2.05E-06 1.35E-06 2.73E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 2 120 33.7 35 38.51 2.33E-02 20 1.58E-06 1.13E-06 2.52E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 2 125 33.75 38.21 39.36 2.47E-02 20 1.59E-06 1.28E-06 2.72E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 2 130 33.8 39.8 41.9 2.81E-02 20 1.71E-06 1.45E-06 3.26E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 2 135 33.85 32.47 45.09 2.93E-02 20 1.85E-06 1.21E-06 3.60E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 2 140 33.9 26.06 43.08 2.53E-02 20 1.76E-06 8.82E-07 3.00E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 2 145 33.95 29.29 31.25 2.48E-02 20 1.96E-06 1.13E-06 2.23E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 2 150 34 35.77 30.04 1.87E-02 20 1.39E-06 1.02E-06 1.62E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 0 34 22.46 43.82 5.18E-03 20 3.66E-07 1.55E-07 6.22E-07 4/1/97 Yes Yes 0 172 1063 C 5 H 3 5 34.05 30.8 31.7 2.43E-02 20 1.88E-06 1.15E-06 2.21E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 10 34.1 30.95 42.37 2.52E-02 20 1.70E-06 1.04E-06 2.95E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 15 34.15 29.02 49.81 2.13E-02 20 1.27E-06 7.22E-07 2.82E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 20 34.2 29.22 47.55 2.22E-02 20 1.39E-06 7.95E-07 2.84E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 25 34.25 29.52 42.72 2.77E-02 20 1.88E-06 1.09E-06 3.26E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 30 34.3 24.79 40.25 3.20E-02 20 2.35E-06 1.11E-06 3.58E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 35 34.35 28.66 40.4 3.21E-02 20 2.28E-06 1.27E-06 3.61E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 40 34.4 38.46 41.44 3.18E-02 20 1.98E-06 1.61E-06 3.65E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 45 34.45 46.18 42.31 3.56E-02 20 1.93E-06 2.06E-06 4.15E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 50 34.5 54.28 40.51 3.76E-02 20 1.77E-06 2.52E-06 4.23E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 55 34.55 57.3 34.91 3.48E-02 20 1.63E-06 2.60E-06 3.45E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 60 34.6 56.3 28.84 3.19E-02 20 1.65E-06 2.53E-06 2.67E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 65 34.65 56.98 26.08 2.82E-02 20 1.46E-06 2.30E-06 2.15E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 70 34.7 58.94 24.15 2.64E-02 20 1.32E-06 2.24E-06 1.87E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 75 34.75 62.05 21.6 2.98E-02 20 1.38E-06 2.65E-06 1.90E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 80 34.8 61.73 24.57 2.97E-02 20 1.36E-06 2.58E-06 2.14E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 85 34.85 53.58 32.32 2.85E-02 20 1.52E-06 2.10E-06 2.64E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 90 34.9 44.46 39.01 3.00E-02 20 1.77E-06 1.77E-06 3.28E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 95 34.95 44.21 40.82 3.38E-02 20 1.95E-06 1.94E-06 3.84E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 100 35 40.83 39.09 3.80E-02 20 2.37E-06 2.09E-06 4.16E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 105 35.05 36.59 39.19 4.14E-02 20 2.73E-06 2.07E-06 4.53E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 110 35.1 33.52 44.15 4.03E-02 20 2.55E-06 1.73E-06 4.86E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 115 35.15 27.77 46.7 4.32E-02 20 2.78E-06 1.50E-06 5.46E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 120 35.2 23.98 50.32 4.75E-02 20 2.94E-06 1.34E-06 6.34E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 125 35.25 20.04 53.87 4.80E-02 20 2.82E-06 1.05E-06 6.73E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 130 35.3 16.56 54.34 4.63E-02 20 2.75E-06 8.35E-07 6.52E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 135 35.35 13.85 54 4.37E-02 20 2.64E-06 6.67E-07 6.13E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 140 35.4 13.66 54.5 3.79E-02 20 2.27E-06 5.64E-07 5.35E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 145 35.45 10.86 45.17 4.20E-02 20 3.08E-06 6.05E-07 5.16E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 3 150 35.5 8.86 47.66 3.22E-02 20 2.27E-06 3.63E-07 4.13E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 0 35.5 0.32 61.57 6.81E-03 20 3.44E-07 1.98E-09 1.04E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 5 35.55 5.2 38.92 3.16E-02 20 2.59E-06 2.41E-07 3.44E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 10 35.6 6.6 43.34 3.49E-02 20 2.68E-06 3.17E-07 4.16E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 15 35.65 4.64 41.34 3.18E-02 20 2.52E-06 2.09E-07 3.64E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 20 35.7 6.89 35.21 3.05E-02 20 2.63E-06 3.24E-07 3.05E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 25 35.75 11.78 33.21 2.75E-02 20 2.39E-06 5.10E-07 2.61E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 30 35.8 16.81 32 2.39E-02 20 2.06E-06 6.36E-07 2.20E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 35 35.85 18.14 27.53 2.35E-02 20 2.10E-06 7.04E-07 1.89E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 40 35.9 18.77 21.87 2.66E-02 20 2.48E-06 8.62E-07 1.72E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 45 35.95 19.01 19.84 2.66E-02 20 2.51E-06 8.85E-07 1.57E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 50 36 18.6 18.26 2.98E-02 20 2.85E-06 9.79E-07 1.62E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 55 36.05 22.88 20.45 2.88E-02 20 2.64E-06 1.14E-06 1.74E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 60 36.1 27.55 23.27 2.52E-02 20 2.18E-06 1.16E-06 1.73E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 65 36.15 30.83 20.75 2.97E-02 20 2.53E-06 1.54E-06 1.82E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 70 36.2 35.26 19.56 3.35E-02 20 2.74E-06 1.98E-06 1.95E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 75 36.25 38.56 23.04 3.00E-02 20 2.29E-06 1.87E-06 2.04E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 80 36.3 39.69 24.68 2.66E-02 20 1.97E-06 1.67E-06 1.92E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 85 36.35 37.85 24.8 2.70E-02 20 2.06E-06 1.63E-06 1.97E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 90 36.4 41.45 23.54 3.06E-02 20 2.23E-06 2.02E-06 2.12E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 95 36.45 47.13 21.94 3.34E-02 20 2.24E-06 2.47E-06 2.17E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 100 36.5 48.3 23.29 3.45E-02 20 2.23E-06 2.56E-06 2.36E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 105 36.55 51.62 29.35 3.34E-02 20 1.92E-06 2.48E-06 2.84E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 110 36.6 50.2 33.83 3.32E-02 20 1.87E-06 2.30E-06 3.20E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 115 36.65 48.51 30.91 4.16E-02 20 2.51E-06 2.90E-06 3.71E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 120 36.7 46.77 36 3.73E-02 20 2.19E-06 2.38E-06 3.80E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 125 36.75 45.28 37.5 3.10E-02 20 1.83E-06 1.89E-06 3.27E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 130 36.8 47.98 34.47 3.22E-02 20 1.89E-06 2.14E-06 3.16E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 135 36.85 48.01 33.88 3.37E-02 20 1.98E-06 2.25E-06 3.26E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 140 36.9 48.4 31.74 3.77E-02 20 2.26E-06 2.60E-06 3.44E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 145 36.95 48.02 28.97 4.34E-02 20 2.70E-06 3.06E-06 3.65E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 4 150 37 55.09 30.94 3.34E-02 20 1.74E-06 2.55E-06 2.98E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 0 37 358.55 62.24 7.16E-03 20 3.54E-07 -9.15E-09 1.10E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 5 37.05 42.25 37.48 3.20E-02 20 2.00E-06 1.85E-06 3.38E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 10 37.1 47.31 37.04 4.17E-02 20 2.40E-06 2.66E-06 4.36E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 15 37.15 44.43 40.12 3.99E-02 20 2.31E-06 2.32E-06 4.45E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 20 37.2 42.91 43.67 3.52E-02 20 1.98E-06 1.88E-06 4.21E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 25 37.25 41.27 40.86 3.45E-02 20 2.08E-06 1.87E-06 3.91E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 30 37.3 43.23 34.9 3.48E-02 20 2.20E-06 2.12E-06 3.45E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 35 37.35 43.02 26.18 3.64E-02 20 2.53E-06 2.42E-06 2.78E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 40 37.4 38.05 23.63 3.29E-02 20 2.52E-06 2.01E-06 2.29E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 45 37.45 32.57 27.18 2.53E-02 20 2.01E-06 1.32E-06 2.01E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 50 37.5 32.69 21.99 2.67E-02 20 2.21E-06 1.45E-06 1.73E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 55 37.55 31.34 17.91 2.59E-02 20 2.23E-06 1.39E-06 1.38E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 60 37.6 31.87 16.06 2.60E-02 20 2.25E-06 1.43E-06 1.25E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 65 37.65 34.6 15.2 2.65E-02 20 2.24E-06 1.58E-06 1.21E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 70 37.7 36.4 15.84 2.84E-02 20 2.33E-06 1.76E-06 1.34E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 75 37.75 33.79 15.87 3.33E-02 20 2.82E-06 1.93E-06 1.58E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 80 37.8 34 19.28 3.10E-02 20 2.58E-06 1.78E-06 1.78E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 85 37.85 38.14 57.87 8.96E-03 20 3.98E-07 3.19E-07 1.32E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 90 37.9 24.63 39.99 1.41E-02 20 1.04E-06 4.87E-07 1.57E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 95 37.95 28.94 27.57 2.59E-02 20 2.13E-06 1.20E-06 2.08E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 100 38 27 23.66 3.30E-02 20 2.86E-06 1.49E-06 2.30E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 105 38.05 31.5 25.37 3.40E-02 20 2.78E-06 1.74E-06 2.52E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 110 38.1 30.67 24.74 3.75E-02 20 3.11E-06 1.89E-06 2.72E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 115 38.15 23.52 20 4.34E-02 20 3.97E-06 1.77E-06 2.58E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 120 38.2 18.82 14.52 4.78E-02 20 4.64E-06 1.62E-06 2.08E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 125 38.25 17.84 12.05 5.54E-02 20 5.47E-06 1.80E-06 2.00E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 130 38.3 18.44 10.57 6.05E-02 20 5.98E-06 2.04E-06 1.92E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 135 38.35 18.69 9.77 4.97E-02 20 4.92E-06 1.70E-06 1.46E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 140 38.4 19.14 10.87 3.81E-02 20 3.75E-06 1.33E-06 1.24E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 145 38.45 20.17 9.3 3.80E-02 20 3.74E-06 1.40E-06 1.07E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 5 150 38.5 23.52 9.82 2.76E-02 20 2.64E-06 1.18E-06 8.16E-07 4/1/97 Yes Yes 0 172 1063 C 5 H 6 0 38.5 337.07 21.6 4.37E-03 20 3.97E-07 -1.72E-07 2.79E-07 4/1/97 Yes Yes 0 172 1063 C 5 H 6 5 38.55 9.72 12.38 2.74E-02 20 2.79E-06 4.89E-07 1.02E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 6 10 38.6 22.49 16.5 3.11E-02 20 2.92E-06 1.24E-06 1.53E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 6 15 38.65 30.4 24.43 2.69E-02 20 2.24E-06 1.35E-06 1.93E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 6 20 38.7 31.34 29.83 2.49E-02 20 1.95E-06 1.22E-06 2.15E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 6 25 38.75 42.25 24.72 2.35E-02 20 1.68E-06 1.56E-06 1.71E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 6 30 38.8 48.38 21.75 2.09E-02 20 1.37E-06 1.57E-06 1.34E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 6 35 38.85 55.81 25.59 1.99E-02 20 1.07E-06 1.61E-06 1.49E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 6 40 38.9 56.49 27.2 2.39E-02 20 1.25E-06 1.92E-06 1.89E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 6 45 38.95 55.8 34.01 2.52E-02 20 1.24E-06 1.87E-06 2.44E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 6 50 39 48.34 33.37 2.89E-02 20 1.70E-06 1.96E-06 2.76E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 6 55 39.05 43.48 28.07 3.28E-02 20 2.23E-06 2.16E-06 2.68E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 6 60 39.1 45.74 28.9 3.24E-02 20 2.10E-06 2.21E-06 2.72E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 6 65 39.15 49.96 28.29 2.92E-02 20 1.75E-06 2.13E-06 2.40E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 6 70 39.2 47.63 28.93 2.56E-02 20 1.60E-06 1.79E-06 2.15E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 6 75 39.25 45 33.74 2.11E-02 20 1.32E-06 1.35E-06 2.04E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 6 80 39.3 47.58 27.7 2.96E-02 20 1.87E-06 2.10E-06 2.38E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 6 85 39.35 47.43 23.94 3.98E-02 20 2.61E-06 2.90E-06 2.80E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 6 90 39.4 45.3 27.72 3.77E-02 20 2.49E-06 2.57E-06 3.04E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 6 95 39.45 48.02 28.41 3.46E-02 20 2.16E-06 2.45E-06 2.85E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 6 100 39.5 46.42 25.08 3.09E-02 20 2.05E-06 2.20E-06 2.27E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 6 105 39.55 39.87 20.9 2.35E-02 20 1.79E-06 1.53E-06 1.45E-06 4/1/97 Yes Yes 0 172 1063 C 5 H 6 110 39.6 26.38 13.06 2.24E-02 20 2.07E-06 1.05E-06 8.77E-07 4/1/97 Yes Yes 0 172 1063 C 5 H 6 115 39.65 27.84 14.47 2.18E-02 20 1.98E-06 1.07E-06 9.43E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 1 0 50 194.06 75.76 1.21E-02 20 -3.06E-07 -7.85E-08 2.03E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 1 5 50.05 224.45 56.75 2.01E-02 20 -8.36E-07 -8.38E-07 2.92E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 1 10 50.1 315.02 40.55 1.07E-02 20 6.08E-07 -6.21E-07 1.20E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 1 15 50.15 332.49 62.04 3.82E-03 20 1.69E-07 -8.98E-08 5.85E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 1 20 50.2 263.52 25.59 1.29E-03 20 -1.39E-08 -1.26E-07 9.67E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 1 25 50.25 286.65 -33.8 7.84E-04 20 1.98E-08 -6.77E-08 -7.56E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 1 30 50.3 320.71 2.77 4.04E-03 20 3.32E-07 -2.77E-07 3.39E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 1 35 50.35 317.41 23.21 7.73E-03 20 5.55E-07 -5.21E-07 5.28E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 1 40 50.4 322.97 39.53 4.72E-03 20 3.08E-07 -2.38E-07 5.21E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 1 45 50.45 326.19 56.86 2.63E-03 20 1.27E-07 -8.69E-08 3.82E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 1 50 50.5 305.48 68.71 1.90E-03 20 4.26E-08 -6.10E-08 3.07E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 1 55 50.55 297.16 81.28 1.62E-03 20 1.19E-08 -2.37E-08 2.78E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 1 60 50.6 95.94 70.55 1.31E-03 20 -4.79E-09 4.71E-08 2.14E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 1 65 50.65 331.9 67.42 1.25E-03 20 4.48E-08 -2.45E-08 2.00E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 1 70 50.7 304.37 37.13 2.84E-03 20 1.36E-07 -2.03E-07 2.97E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 1 75 50.75 295.11 37.76 2.36E-03 20 8.40E-08 -1.83E-07 2.51E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 1 80 50.8 272.82 78.87 5.48E-04 20 5.53E-10 -1.15E-08 9.32E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 1 85 50.85 108.68 56.51 2.47E-04 20 -4.63E-09 1.40E-08 3.57E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 1 90 50.9 309.64 59.86 9.47E-05 20 3.22E-09 -3.97E-09 1.42E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 1 95 50.95 224.59 1.04 3.26E-04 20 -2.46E-08 -2.48E-08 1.02E-09 4/1/97 Yes Yes 0 172 1063 C 7 H 1 100 51 274.72 -13.93 1.18E-03 20 9.99E-09 -1.24E-07 -4.92E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 1 105 51.05 322 20.9 9.00E-04 20 7.02E-08 -5.61E-08 5.56E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 1 110 51.1 319.65 70.12 8.57E-04 20 2.36E-08 -2.05E-08 1.40E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 1 115 51.15 257.8 83.58 8.09E-04 20 -2.03E-09 -9.58E-09 1.39E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 1 120 51.2 87.07 82.76 7.26E-04 20 4.96E-10 9.90E-09 1.25E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 1 125 51.25 329.07 72.14 6.34E-04 20 1.77E-08 -1.08E-08 1.05E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 1 130 51.3 318.76 38.28 1.57E-03 20 9.85E-08 -8.83E-08 1.69E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 1 135 51.35 316.64 49.44 1.48E-03 20 7.40E-08 -7.14E-08 1.94E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 1 140 51.4 323.42 48.96 8.94E-04 20 5.00E-08 -3.79E-08 1.17E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 1 145 51.45 320.92 24.01 1.77E-03 20 1.33E-07 -1.11E-07 1.25E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 1 150 51.5 318.53 41 1.15E-03 20 6.90E-08 -6.23E-08 1.31E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 2 0 51.5 344.88 43.6 1.59E-04 20 1.18E-08 -3.26E-09 1.90E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 2 5 51.55 321.65 32.11 6.86E-04 20 4.83E-08 -3.91E-08 6.32E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 2 10 51.6 321.2 37.11 7.87E-04 20 5.19E-08 -4.27E-08 8.23E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 2 15 51.65 310.55 48.8 3.73E-04 20 1.69E-08 -2.02E-08 4.86E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 2 20 51.7 293.61 60.18 1.54E-04 20 3.26E-09 -7.62E-09 2.32E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 2 25 51.75 291.95 82.94 9.76E-05 20 4.76E-10 -1.21E-09 1.68E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 2 30 51.8 75.52 23.66 1.51E-04 20 3.66E-09 1.45E-08 1.05E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 2 35 51.85 18.73 40.45 1.06E-04 20 8.13E-09 2.82E-09 1.20E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 2 40 51.9 240.82 20.6 3.52E-04 20 -1.71E-08 -3.12E-08 2.15E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 2 45 51.95 223.08 23.4 5.64E-04 20 -4.01E-08 -3.83E-08 3.88E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 2 50 52 175.94 80.71 1.88E-04 20 -3.20E-09 2.32E-10 3.21E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 2 55 52.05 330.28 42.88 2.18E-04 20 1.47E-08 -8.57E-09 2.57E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 2 60 52.1 322.33 33.6 4.35E-04 20 3.04E-08 -2.40E-08 4.17E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 2 65 52.15 325.7 57.8 2.09E-04 20 9.75E-09 -6.80E-09 3.06E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 2 70 52.2 309.04 68.03 1.40E-04 20 3.51E-09 -4.42E-09 2.26E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 2 75 52.25 126.96 63.6 1.39E-04 20 -3.95E-09 5.37E-09 2.16E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 2 80 52.3 123.46 33.09 1.42E-04 20 -6.95E-09 1.08E-08 1.34E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 2 85 52.35 305.69 54.74 1.25E-04 20 4.46E-09 -6.35E-09 1.77E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 2 90 52.4 293.77 47.79 3.33E-04 20 9.56E-09 -2.22E-08 4.27E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 2 95 52.45 261.58 56.44 4.50E-04 20 -3.86E-09 -2.67E-08 6.49E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 2 100 52.5 220.17 41.63 2.70E-04 20 -1.64E-08 -1.41E-08 3.11E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 2 105 52.55 25.53 42.16 1.13E-04 20 8.04E-09 3.93E-09 1.32E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 2 110 52.6 249.39 71.88 2.22E-04 20 -2.58E-09 -7.01E-09 3.66E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 2 115 52.65 282.87 57.63 3.54E-04 20 4.48E-09 -2.01E-08 5.19E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 2 120 52.7 310.43 55.23 4.92E-04 20 1.93E-08 -2.32E-08 7.00E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 2 125 52.75 308.91 41.08 5.88E-04 20 2.95E-08 -3.74E-08 6.70E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 2 130 52.8 297.09 58.73 4.94E-04 20 1.24E-08 -2.48E-08 7.32E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 2 135 52.85 327.25 79.31 3.72E-04 20 6.15E-09 -4.05E-09 6.34E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 2 140 52.9 318.5 53.92 4.70E-04 20 2.20E-08 -1.99E-08 6.59E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 2 145 52.95 328.93 37.58 9.69E-04 20 6.97E-08 -4.30E-08 1.02E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 2 150 53 317.31 35.37 1.09E-03 20 6.92E-08 -6.53E-08 1.09E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 3 0 53 342.12 49.41 2.23E-04 20 1.46E-08 -4.82E-09 2.93E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 3 5 53.05 342.61 41.62 8.09E-04 20 6.12E-08 -1.96E-08 9.32E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 3 10 53.1 332.06 39.87 1.17E-03 20 8.42E-08 -4.57E-08 1.30E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 3 15 53.15 324.61 34.52 1.72E-03 20 1.23E-07 -8.92E-08 1.69E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 3 20 53.2 315.7 48.45 1.28E-03 20 6.44E-08 -6.43E-08 1.66E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 3 25 53.25 126.62 82.88 7.62E-04 20 -5.98E-09 8.22E-09 1.31E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 3 30 53.3 312.2 84.47 1.17E-03 20 8.00E-09 -9.03E-09 2.01E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 3 35 53.35 309.77 68.84 2.12E-03 20 5.19E-08 -6.38E-08 3.43E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 3 40 53.4 308.43 28.59 8.76E-03 20 5.07E-07 -6.54E-07 7.27E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 3 45 53.45 305.58 25.83 1.38E-02 20 7.68E-07 -1.10E-06 1.04E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 3 50 53.5 301.24 40.03 6.48E-03 20 2.73E-07 -4.60E-07 7.22E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 3 55 53.55 140.98 57.7 1.63E-03 20 -7.16E-08 5.93E-08 2.38E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 3 60 53.6 127.79 36.72 1.18E-03 20 -6.16E-08 8.13E-08 1.23E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 3 65 53.65 339.69 68.96 1.17E-03 20 4.16E-08 -1.57E-08 1.89E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 3 70 53.7 325.26 27.25 5.18E-03 20 4.01E-07 -2.85E-07 4.11E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 3 75 53.75 328.22 32.32 5.42E-03 20 4.13E-07 -2.62E-07 5.02E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 3 80 53.8 14.14 69.56 1.75E-03 20 6.28E-08 1.62E-08 2.84E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 3 85 53.85 72.92 68.94 1.37E-03 20 1.53E-08 5.10E-08 2.21E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 3 90 53.9 326.69 42.48 3.20E-03 20 2.10E-07 -1.41E-07 3.75E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 3 95 53.95 315.97 22.35 1.07E-02 20 7.58E-07 -7.49E-07 7.08E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 3 100 54 308.44 24.61 1.12E-02 20 6.69E-07 -8.63E-07 8.06E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 3 105 54.05 307.71 45.47 4.73E-03 20 2.15E-07 -2.84E-07 5.84E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 3 110 54.1 325.31 38.77 8.00E-03 20 5.44E-07 -3.85E-07 8.68E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 3 115 54.15 317.19 37.41 1.56E-02 20 9.63E-07 -9.12E-07 1.64E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 3 120 54.2 302.24 51.43 1.34E-02 20 4.72E-07 -7.65E-07 1.81E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 3 125 54.25 306.25 50.46 1.21E-02 20 4.83E-07 -6.74E-07 1.62E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 3 130 54.3 311.9 34.17 1.69E-02 20 9.87E-07 -1.13E-06 1.64E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 3 135 54.35 321.26 27.6 1.84E-02 20 1.35E-06 -1.11E-06 1.48E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 3 140 54.4 323.67 26.84 1.78E-02 20 1.36E-06 -1.02E-06 1.39E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 3 145 54.45 316.87 30.03 1.44E-02 20 9.63E-07 -9.22E-07 1.25E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 3 150 54.5 313.18 28.52 1.21E-02 20 7.69E-07 -8.38E-07 9.98E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 4 0 54.5 327.73 36.93 2.79E-03 20 2.00E-07 -1.29E-07 2.91E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 4 5 54.55 313.15 24.27 1.05E-02 20 6.95E-07 -7.59E-07 7.50E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 4 10 54.6 308.24 28.19 8.97E-03 20 5.19E-07 -6.74E-07 7.35E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 4 15 54.65 305.92 33.21 5.82E-03 20 3.03E-07 -4.27E-07 5.52E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 4 20 54.7 318.12 27.21 4.39E-03 20 3.08E-07 -2.83E-07 3.48E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 4 25 54.75 327 16.02 5.63E-03 20 4.82E-07 -3.20E-07 2.69E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 4 30 54.8 332.55 14.58 5.07E-03 20 4.62E-07 -2.45E-07 2.21E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 4 35 54.85 136.15 6.35 4.27E-04 20 -3.25E-08 3.19E-08 8.20E-09 4/1/97 Yes Yes 0 172 1063 C 7 H 4 40 54.9 302.9 -62.92 1.99E-03 20 5.22E-08 -8.25E-08 -3.07E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 4 45 54.95 314.92 -0.65 6.41E-03 20 4.80E-07 -4.92E-07 -1.26E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 4 50 55 321.13 18.37 5.34E-03 20 4.19E-07 -3.45E-07 2.92E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 4 55 55.05 328.6 31.86 3.24E-03 20 2.49E-07 -1.56E-07 2.97E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 4 60 55.1 321.66 30.18 2.79E-03 20 2.01E-07 -1.62E-07 2.43E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 4 65 55.15 317.83 88.48 9.41E-04 20 1.96E-09 -1.82E-09 1.63E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 4 70 55.2 301.48 56.89 1.36E-03 20 4.13E-08 -6.89E-08 1.98E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 4 75 55.25 307.41 31.44 4.10E-03 20 2.26E-07 -3.02E-07 3.71E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 4 80 55.3 300.78 25.04 5.74E-03 20 2.82E-07 -4.84E-07 4.21E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 4 85 55.35 302.81 27.55 3.46E-03 20 1.76E-07 -2.80E-07 2.77E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 4 90 55.4 311.61 53.05 1.12E-03 20 4.74E-08 -5.45E-08 1.55E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 4 95 55.45 82.74 62.06 8.65E-04 20 5.44E-09 4.36E-08 1.33E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 4 100 55.5 340.34 62.51 1.67E-03 20 7.72E-08 -2.82E-08 2.57E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 4 105 55.55 338.12 49.81 3.21E-03 20 2.04E-07 -8.37E-08 4.25E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 4 110 55.6 320.96 33.24 1.05E-02 20 7.26E-07 -6.02E-07 1.00E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 4 115 55.65 324.01 36.29 1.19E-02 20 8.25E-07 -6.13E-07 1.22E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 4 120 55.7 320.69 32.89 1.53E-02 20 1.05E-06 -8.81E-07 1.44E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 4 125 55.75 306.8 32.62 1.16E-02 20 6.20E-07 -8.47E-07 1.08E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 4 130 55.8 301.65 45.78 4.25E-03 20 1.65E-07 -2.74E-07 5.28E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 4 135 55.85 336.29 72.91 2.68E-03 20 7.65E-08 -3.44E-08 4.44E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 4 140 55.9 355.02 64.77 4.81E-03 20 2.17E-07 -1.93E-08 7.54E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 4 145 55.95 316.65 44.89 1.32E-02 20 7.21E-07 -6.96E-07 1.61E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 4 150 56 302.88 43.74 1.52E-02 20 6.31E-07 -9.99E-07 1.82E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 5 0 56 280.7 33.56 3.21E-03 20 5.27E-08 -2.85E-07 3.08E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 5 5 56.05 282.7 35.99 7.15E-03 20 1.35E-07 -6.12E-07 7.28E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 5 10 56.1 313.71 60.35 5.73E-03 20 2.08E-07 -2.22E-07 8.63E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 5 15 56.15 309.5 36.02 1.38E-02 20 7.50E-07 -9.31E-07 1.40E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 5 20 56.2 301.65 31.29 1.77E-02 20 8.40E-07 -1.39E-06 1.59E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 5 25 56.25 305.9 34.71 1.34E-02 20 6.86E-07 -9.69E-07 1.32E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 5 30 56.3 304.12 22.29 4.15E-02 20 2.29E-06 -3.45E-06 2.73E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 5 35 56.35 303.72 25.57 4.61E-02 20 2.45E-06 -3.76E-06 3.45E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 5 40 56.4 303.13 32.18 3.55E-02 20 1.74E-06 -2.73E-06 3.27E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 5 45 56.45 301.85 39.14 2.71E-02 20 1.18E-06 -1.94E-06 2.97E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 5 50 56.5 288.01 55.64 1.38E-02 20 2.56E-07 -8.06E-07 1.98E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 5 55 56.55 323.22 55.46 7.31E-03 20 3.52E-07 -2.69E-07 1.04E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 5 60 56.6 315.44 20.97 1.86E-02 20 1.31E-06 -1.32E-06 1.15E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 5 65 56.65 314.76 22.46 1.23E-02 20 8.49E-07 -8.75E-07 8.14E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 5 70 56.7 317.46 13.44 7.02E-03 20 5.34E-07 -5.01E-07 2.83E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 5 75 56.75 315.02 -1.91 1.51E-02 20 1.13E-06 -1.15E-06 -8.70E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 5 80 56.8 323.29 -0.18 1.47E-02 20 1.25E-06 -9.53E-07 -7.93E-09 4/1/97 Yes Yes 0 172 1063 C 7 H 5 85 56.85 326.01 10.21 1.31E-02 20 1.13E-06 -7.81E-07 4.02E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 5 90 56.9 320.66 20.88 1.14E-02 20 8.71E-07 -7.30E-07 7.02E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 5 95 56.95 335.11 77.39 2.87E-03 20 6.03E-08 -2.86E-08 4.86E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 5 100 57 125.86 36.24 2.62E-03 20 -1.31E-07 1.85E-07 2.68E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 5 105 57.05 322.09 24.41 7.30E-03 20 5.56E-07 -4.43E-07 5.23E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 5 110 57.1 314.96 24.96 1.29E-02 20 8.73E-07 -8.94E-07 9.40E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 5 115 57.15 316.2 31.1 1.26E-02 20 8.23E-07 -8.07E-07 1.13E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 5 120 57.2 306.6 24.72 1.45E-02 20 8.30E-07 -1.14E-06 1.05E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 5 125 57.25 299.42 21.37 1.28E-02 20 6.21E-07 -1.13E-06 8.08E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 5 130 57.3 295.06 33.87 7.94E-03 20 2.96E-07 -6.48E-07 7.67E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 5 135 57.35 288.98 29.85 8.89E-03 20 2.66E-07 -7.91E-07 7.67E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 5 140 57.4 281.65 25.44 1.10E-02 20 2.13E-07 -1.06E-06 8.21E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 5 145 57.45 279.67 21.62 1.15E-02 20 1.90E-07 -1.14E-06 7.34E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 5 150 57.5 291.74 21.35 8.37E-03 20 3.06E-07 -7.85E-07 5.28E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 6 0 57.5 302.77 1.35 7.50E-04 20 4.31E-08 -6.84E-08 3.07E-09 4/1/97 Yes Yes 0 172 1063 C 7 H 6 5 57.55 330.88 3.14 7.25E-03 20 6.71E-07 -3.82E-07 6.88E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 6 10 57.6 335.5 6.2 1.01E-02 20 9.64E-07 -4.49E-07 1.88E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 6 15 57.65 335.33 10.21 7.52E-03 20 7.14E-07 -3.35E-07 2.31E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 6 20 57.7 344.84 10.29 3.89E-03 20 3.92E-07 -1.09E-07 1.21E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 6 25 57.75 3.44 27.89 1.13E-03 20 1.06E-07 6.52E-09 9.20E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 6 30 57.8 261.53 51.18 4.68E-04 20 -4.58E-09 -3.14E-08 6.32E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 6 35 57.85 304.69 -8.42 6.44E-04 20 3.85E-08 -5.68E-08 -1.63E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 6 40 57.9 2.76 -25.3 6.88E-04 20 6.59E-08 3.25E-09 -5.10E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 6 45 57.95 68.36 9.56 7.75E-04 20 2.99E-08 7.70E-08 2.23E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 6 50 58 291.06 46.66 1.22E-03 20 3.18E-08 -8.45E-08 1.53E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 6 55 58.05 303.71 21.98 5.16E-03 20 2.81E-07 -4.31E-07 3.35E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 6 60 58.1 310.01 17.52 5.94E-03 20 3.86E-07 -4.70E-07 3.10E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 6 65 58.15 326.51 29.65 2.50E-03 20 1.92E-07 -1.30E-07 2.14E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 6 70 58.2 341.19 28.75 4.54E-03 20 4.00E-07 -1.39E-07 3.78E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 6 75 58.25 329.87 28.14 5.65E-03 20 4.57E-07 -2.71E-07 4.62E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 6 80 58.3 335.78 59.69 1.76E-03 20 8.59E-08 -3.95E-08 2.63E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 6 85 58.35 328.11 45.6 2.40E-03 20 1.51E-07 -9.61E-08 2.97E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 6 90 58.4 320.5 33.3 4.94E-03 20 3.38E-07 -2.85E-07 4.70E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 6 95 58.45 309.03 32.7 8.24E-03 20 4.63E-07 -5.84E-07 7.72E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 6 100 58.5 294.78 43.95 5.67E-03 20 1.81E-07 -4.02E-07 6.82E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 6 105 58.55 259.61 58.21 1.95E-03 20 -1.96E-08 -1.10E-07 2.87E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 6 110 58.6 218.87 75.55 6.34E-04 20 -1.31E-08 -1.08E-08 1.07E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 6 115 58.65 299.64 14.86 1.92E-03 20 9.75E-08 -1.75E-07 8.56E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 6 120 58.7 308.82 10.18 1.63E-03 20 1.07E-07 -1.36E-07 5.01E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 6 125 58.75 333.44 10.46 1.54E-03 20 1.43E-07 -7.33E-08 4.83E-08 4/1/97 Yes Yes 0 172 1063 C 7 H 6 130 58.8 321.87 9.67 5.50E-03 20 4.52E-07 -3.63E-07 1.60E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 6 135 58.85 317.74 13.04 4.83E-03 20 3.69E-07 -3.43E-07 1.89E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 6 140 58.9 319.52 23.22 2.39E-03 20 1.77E-07 -1.54E-07 1.63E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 6 145 58.95 320.91 26.99 3.28E-03 20 2.41E-07 -2.00E-07 2.58E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 6 150 59 304.37 28.78 3.66E-03 20 1.92E-07 -2.88E-07 3.06E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 7 0 59 303.4 40.95 1.74E-03 20 7.67E-08 -1.19E-07 1.97E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 7 5 59.05 285.54 24.08 6.39E-03 20 1.66E-07 -6.10E-07 4.52E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 7 10 59.1 285.95 33 4.08E-03 20 9.96E-08 -3.57E-07 3.85E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 7 15 59.15 291.16 28.23 5.71E-03 20 1.93E-07 -5.09E-07 4.68E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 7 20 59.2 287.44 20.02 9.47E-03 20 2.83E-07 -9.21E-07 5.62E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 7 25 59.25 289.83 24.82 1.09E-02 20 3.56E-07 -1.01E-06 7.94E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 7 30 59.3 287.11 38.56 1.11E-02 20 2.70E-07 -8.97E-07 1.20E-06 4/1/97 Yes Yes 0 172 1063 C 7 H 7 35 59.35 276.1 37.67 8.41E-03 20 7.51E-08 -7.18E-07 8.91E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 7 40 59.4 295.95 25.13 8.48E-03 20 3.56E-07 -7.48E-07 6.24E-07 4/1/97 Yes Yes 0 172 1063 C 7 H 7 45 59.45 297.42 24.57 6.23E-03 20 2.77E-07 -5.45E-07 4.49E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 1 0 59.5 113.02 -17.57 9.18E-04 20 -3.63E-08 8.74E-08 -4.81E-08 4/1/97 Yes Yes 0 172 1063 C 8 H 1 5 59.55 70.63 -12.05 1.33E-03 20 4.57E-08 1.33E-07 -4.81E-08 4/1/97 Yes Yes 0 172 1063 C 8 H 1 10 59.6 15.67 0.35 6.32E-04 20 6.45E-08 1.85E-08 6.76E-10 4/1/97 Yes Yes 0 172 1063 C 8 H 1 15 59.65 321.37 28.18 1.57E-04 20 1.15E-08 -9.36E-09 1.28E-08 4/1/97 Yes Yes 0 172 1063 C 8 H 1 20 59.7 248.1 42.71 7.18E-05 20 -2.09E-09 -5.31E-09 8.44E-09 4/1/97 Yes Yes 0 172 1063 C 8 H 1 25 59.75 334.11 32.64 4.52E-04 20 3.64E-08 -1.80E-08 4.23E-08 4/1/97 Yes Yes 0 172 1063 C 8 H 1 30 59.8 344.25 32.56 1.09E-03 20 9.34E-08 -2.70E-08 1.01E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 1 35 59.85 38.02 53.16 8.16E-04 20 4.09E-08 3.27E-08 1.13E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 1 40 59.9 210.2 48.83 6.62E-04 20 -4.00E-08 -2.38E-08 8.64E-08 4/1/97 Yes Yes 0 172 1063 C 8 H 1 45 59.95 319.35 38.59 1.56E-03 20 9.84E-08 -8.64E-08 1.69E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 1 50 60 22.06 28.89 4.38E-03 20 3.77E-07 1.56E-07 3.67E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 1 55 60.05 46.02 29.13 6.28E-03 20 4.04E-07 4.28E-07 5.30E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 1 60 60.1 53.36 32.12 7.38E-03 20 3.96E-07 5.44E-07 6.80E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 1 65 60.15 33.44 31.29 9.54E-03 20 7.21E-07 4.87E-07 8.59E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 1 70 60.2 24.19 38.14 1.01E-02 20 7.70E-07 3.54E-07 1.08E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 1 75 60.25 13.06 50.12 7.29E-03 20 4.83E-07 1.15E-07 9.70E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 1 80 60.3 10.2 36.56 1.02E-02 20 8.59E-07 1.58E-07 1.06E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 1 85 60.35 19.59 34.06 1.14E-02 20 9.41E-07 3.42E-07 1.10E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 1 90 60.4 23.41 34.75 1.15E-02 20 9.18E-07 4.06E-07 1.13E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 1 95 60.45 22.51 28.68 1.39E-02 20 1.20E-06 5.07E-07 1.16E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 1 100 60.5 28.46 28.15 1.92E-02 20 1.58E-06 8.74E-07 1.57E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 1 105 60.55 31.13 34.7 1.66E-02 20 1.24E-06 7.65E-07 1.64E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 1 110 60.6 23.74 37.87 1.46E-02 20 1.12E-06 5.03E-07 1.55E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 1 115 60.65 21.8 39.5 1.47E-02 20 1.12E-06 4.57E-07 1.62E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 1 120 60.7 32.58 39.68 1.59E-02 20 1.09E-06 7.15E-07 1.76E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 1 125 60.75 33.39 33.26 2.14E-02 20 1.59E-06 1.07E-06 2.04E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 1 130 60.8 25.44 31.66 2.44E-02 20 1.99E-06 9.67E-07 2.22E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 1 135 60.85 15.93 34.49 2.28E-02 20 1.92E-06 5.60E-07 2.24E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 1 140 60.9 16.7 37.6 2.08E-02 20 1.68E-06 5.14E-07 2.20E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 1 145 60.95 21.66 36.66 2.36E-02 20 1.87E-06 7.58E-07 2.44E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 1 150 61 22.96 40.88 1.76E-02 20 1.30E-06 5.62E-07 1.99E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 2 0 61 13.99 42.5 6.58E-03 20 4.99E-07 1.27E-07 7.70E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 2 5 61.05 27.73 28.46 2.57E-02 20 2.12E-06 1.14E-06 2.12E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 2 10 61.1 22.78 33.1 2.04E-02 20 1.67E-06 7.19E-07 1.93E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 2 15 61.15 29.69 62.51 4.58E-03 20 1.95E-07 1.14E-07 7.04E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 2 20 61.2 205.7 22.48 1.93E-03 20 -1.70E-07 -8.37E-08 1.28E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 2 25 61.25 216.19 21.56 6.49E-04 20 -5.17E-08 -3.86E-08 4.13E-08 4/1/97 Yes Yes 0 172 1063 C 8 H 2 30 61.3 355.15 60.78 2.99E-04 20 1.54E-08 -1.34E-09 4.52E-08 4/1/97 Yes Yes 0 172 1063 C 8 H 2 35 61.35 16.6 39.92 5.85E-04 20 4.56E-08 1.39E-08 6.51E-08 4/1/97 Yes Yes 0 172 1063 C 8 H 2 40 61.4 24.39 44.16 6.51E-04 20 4.51E-08 2.09E-08 7.86E-08 4/1/97 Yes Yes 0 172 1063 C 8 H 2 45 61.45 16.34 56.29 5.08E-04 20 2.87E-08 8.60E-09 7.33E-08 4/1/97 Yes Yes 0 172 1063 C 8 H 2 50 61.5 246.12 85.96 3.46E-04 20 -1.05E-09 -2.42E-09 5.98E-08 4/1/97 Yes Yes 0 172 1063 C 8 H 2 55 61.55 214.7 41.64 5.98E-04 20 -3.90E-08 -2.76E-08 6.89E-08 4/1/97 Yes Yes 0 172 1063 C 8 H 2 60 61.6 355.06 43.14 1.14E-03 20 8.81E-08 -7.78E-09 1.35E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 2 65 61.65 11.98 21.01 6.92E-03 20 6.71E-07 1.45E-07 4.30E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 2 70 61.7 18.25 24.48 1.08E-02 20 9.90E-07 3.34E-07 7.76E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 2 75 61.75 30.79 45.63 4.89E-03 20 3.12E-07 1.90E-07 6.06E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 2 80 61.8 1.79 63.83 2.53E-03 20 1.18E-07 3.79E-09 3.94E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 2 85 61.85 7.28 36.6 5.52E-03 20 4.66E-07 6.09E-08 5.70E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 2 90 61.9 14.69 34.74 9.06E-03 20 7.64E-07 2.05E-07 8.95E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 2 95 61.95 19.04 39.6 8.74E-03 20 6.75E-07 2.38E-07 9.65E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 2 100 62 21.07 45.81 6.26E-03 20 4.32E-07 1.70E-07 7.79E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 2 105 62.05 29.23 55 5.17E-03 20 2.75E-07 1.57E-07 7.34E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 2 110 62.1 279.11 84.86 2.61E-03 20 3.93E-09 -2.51E-08 4.51E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 2 115 62.15 26.2 24.71 6.28E-03 20 5.43E-07 2.73E-07 4.55E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 2 120 62.2 41.04 14.34 1.73E-02 20 1.34E-06 1.19E-06 7.42E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 2 125 62.25 49.2 19.99 1.04E-02 20 6.78E-07 8.04E-07 6.17E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 2 130 62.3 58.45 70.63 1.97E-03 20 3.63E-08 6.05E-08 3.23E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 2 135 62.35 216.5 66.03 1.37E-03 20 -4.75E-08 -3.60E-08 2.17E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 2 140 62.4 338.81 60.8 1.26E-03 20 6.10E-08 -2.42E-08 1.91E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 2 145 62.45 6.62 28.4 4.04E-03 20 3.74E-07 4.44E-08 3.33E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 2 150 62.5 6.31 29.81 3.85E-03 20 3.52E-07 3.98E-08 3.31E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 3 0 62.5 337.9 26.06 5.00E-04 20 4.42E-08 -1.83E-08 3.81E-08 4/1/97 Yes Yes 0 172 1063 C 8 H 3 5 62.55 6.09 43.21 6.72E-04 20 5.16E-08 5.63E-09 7.97E-08 4/1/97 Yes Yes 0 172 1063 C 8 H 3 10 62.6 76.96 68.2 3.00E-04 20 2.67E-09 1.18E-08 4.84E-08 4/1/97 Yes Yes 0 172 1063 C 8 H 3 15 62.65 148.06 61.62 1.94E-04 20 -8.31E-09 5.30E-09 2.96E-08 4/1/97 Yes Yes 0 172 1063 C 8 H 3 20 62.7 175.65 54.29 1.93E-04 20 -1.19E-08 9.28E-10 2.72E-08 4/1/97 Yes Yes 0 172 1063 C 8 H 3 25 62.75 179.99 37.29 3.64E-04 20 -3.07E-08 2.91E-12 3.82E-08 4/1/97 Yes Yes 0 172 1063 C 8 H 3 30 62.8 5.2 67.6 6.00E-04 20 2.41E-08 2.25E-09 9.62E-08 4/1/97 Yes Yes 0 172 1063 C 8 H 3 35 62.85 11.81 33.53 2.71E-03 20 2.35E-07 5.02E-08 2.60E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 3 40 62.9 20.1 33.01 3.98E-03 20 3.33E-07 1.24E-07 3.76E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 3 45 62.95 8.54 40.59 2.76E-03 20 2.20E-07 3.38E-08 3.12E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 3 50 63 7.13 47.68 1.96E-03 20 1.39E-07 1.78E-08 2.51E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 3 55 63.05 55.79 73.29 9.79E-04 20 1.68E-08 2.52E-08 1.63E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 3 60 63.1 19.78 58.92 8.83E-04 20 4.55E-08 1.67E-08 1.31E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 3 65 63.15 25.47 49.22 1.10E-03 20 6.90E-08 3.36E-08 1.45E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 3 70 63.2 37.29 64.41 8.89E-04 20 3.24E-08 2.52E-08 1.39E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 3 75 63.25 32.45 74.25 6.95E-04 20 1.69E-08 1.10E-08 1.16E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 3 80 63.3 7.02 67.2 9.06E-04 20 3.70E-08 4.66E-09 1.45E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 3 85 63.35 1.4 52.91 1.22E-03 20 7.78E-08 1.94E-09 1.68E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 3 90 63.4 29.09 56.4 1.13E-03 20 5.81E-08 3.31E-08 1.64E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 3 95 63.45 21.21 37.7 2.22E-03 20 1.74E-07 6.91E-08 2.36E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 3 100 63.5 22.51 24.14 3.49E-03 20 3.12E-07 1.32E-07 2.48E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 3 105 63.55 30.48 15.92 3.17E-03 20 2.79E-07 1.68E-07 1.51E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 3 110 63.6 24.33 6.03 2.29E-03 20 2.20E-07 1.02E-07 4.17E-08 4/1/97 Yes Yes 0 172 1063 C 8 H 3 115 63.65 14.97 18.9 1.74E-03 20 1.69E-07 4.61E-08 9.77E-08 4/1/97 Yes Yes 0 172 1063 C 8 H 3 120 63.7 7.13 30.72 2.47E-03 20 2.24E-07 2.86E-08 2.19E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 3 125 63.75 19.19 24.4 4.09E-03 20 3.73E-07 1.33E-07 2.93E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 3 130 63.8 29.07 39.64 3.33E-03 20 2.37E-07 1.35E-07 3.68E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 3 135 63.85 26.12 52.09 3.57E-03 20 2.09E-07 1.05E-07 4.88E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 3 140 63.9 27.23 33.06 6.33E-03 20 5.01E-07 2.63E-07 5.99E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 3 145 63.95 17.94 17.94 1.27E-02 20 1.22E-06 4.05E-07 6.80E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 3 150 64 8.59 19.81 1.11E-02 20 1.09E-06 1.69E-07 6.51E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 4 0 64 346.05 31.87 1.70E-03 20 1.49E-07 -3.78E-08 1.56E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 4 5 64.05 351.63 24.91 6.94E-03 20 6.61E-07 -9.94E-08 5.07E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 4 10 64.1 4.42 31.51 8.37E-03 20 7.54E-07 5.96E-08 7.58E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 4 15 64.15 22.15 48.63 7.20E-03 20 4.67E-07 1.95E-07 9.36E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 4 20 64.2 348.22 61.28 8.38E-03 20 4.18E-07 -8.92E-08 1.27E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 4 25 64.25 336.87 63.96 1.27E-02 20 5.44E-07 -2.38E-07 1.98E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 4 30 64.3 356.41 72.78 1.25E-02 20 3.90E-07 -2.50E-08 2.06E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 4 35 64.35 357.16 59.24 1.39E-02 20 7.51E-07 -3.81E-08 2.07E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 4 40 64.4 334.52 44.08 1.61E-02 20 1.10E-06 -5.38E-07 1.94E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 4 45 64.45 335.64 26.42 1.86E-02 20 1.61E-06 -7.45E-07 1.43E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 4 50 64.5 343.89 20.38 2.28E-02 20 2.18E-06 -6.43E-07 1.38E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 4 55 64.55 345.28 27.03 1.67E-02 20 1.52E-06 -4.09E-07 1.31E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 4 60 64.6 348.62 55.23 5.13E-03 20 3.04E-07 -6.26E-08 7.30E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 4 65 64.65 357.46 35.83 4.19E-03 20 3.60E-07 -1.63E-08 4.25E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 4 70 64.7 354.25 37.06 8.29E-03 20 6.98E-07 -7.18E-08 8.66E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 4 75 64.75 1.55 55.48 8.97E-03 20 5.39E-07 1.49E-08 1.28E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 4 80 64.8 331.44 66.5 7.76E-03 20 2.88E-07 -1.60E-07 1.23E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 4 85 64.85 313.22 59.55 8.68E-03 20 3.20E-07 -3.48E-07 1.30E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 4 90 64.9 334.4 54.07 1.36E-02 20 7.61E-07 -3.73E-07 1.90E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 4 95 64.95 317.08 59.19 1.37E-02 20 5.45E-07 -5.19E-07 2.04E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 4 100 65 295.92 65.01 8.69E-03 20 1.70E-07 -3.58E-07 1.37E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 4 105 65.05 325.82 74.06 6.25E-03 20 1.50E-07 -1.05E-07 1.04E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 4 110 65.1 28.27 61.73 7.47E-03 20 3.31E-07 1.82E-07 1.14E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 4 115 65.15 346.45 52.2 8.96E-03 20 5.66E-07 -1.40E-07 1.23E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 4 120 65.2 331.79 32.06 1.12E-02 20 8.85E-07 -4.86E-07 1.03E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 4 125 65.25 338.26 20.78 1.34E-02 20 1.23E-06 -5.03E-07 8.24E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 4 130 65.3 348.62 19.22 1.30E-02 20 1.27E-06 -2.62E-07 7.40E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 4 135 65.35 0.93 27.9 1.20E-02 20 1.13E-06 1.88E-08 9.78E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 4 140 65.4 356.36 42.18 1.41E-02 20 1.10E-06 -7.18E-08 1.64E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 4 145 65.45 342.66 39.82 2.19E-02 20 1.70E-06 -5.44E-07 2.43E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 4 150 65.5 348.16 35.74 2.56E-02 20 2.16E-06 -4.63E-07 2.60E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 5 0 65.5 350.8 32.12 5.96E-03 20 5.29E-07 -8.76E-08 5.50E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 5 5 65.55 352.35 22.75 2.61E-02 20 2.53E-06 -3.48E-07 1.75E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 5 10 65.6 353.25 28.58 2.14E-02 20 1.98E-06 -2.40E-07 1.78E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 5 15 65.65 352.73 39.55 9.92E-03 20 8.05E-07 -1.05E-07 1.10E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 5 20 65.7 347.27 27.92 9.83E-03 20 8.98E-07 -2.08E-07 7.98E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 5 25 65.75 343.99 35.28 5.29E-03 20 4.40E-07 -1.29E-07 5.29E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 5 30 65.8 315.29 63.91 1.45E-03 20 4.79E-08 -4.85E-08 2.25E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 5 35 65.85 288.28 61.3 6.91E-04 20 1.10E-08 -3.42E-08 1.05E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 5 40 65.9 202.58 37.21 3.58E-04 20 -2.79E-08 -1.19E-08 3.75E-08 4/1/97 Yes Yes 0 172 1063 C 8 H 5 45 65.95 157.37 17.29 4.08E-04 20 -3.82E-08 1.63E-08 2.10E-08 4/1/97 Yes Yes 0 172 1063 C 8 H 5 50 66 9.94 77.04 8.15E-04 20 1.91E-08 3.42E-09 1.38E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 5 55 66.05 341.57 42.1 3.13E-03 20 2.34E-07 -7.97E-08 3.64E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 5 60 66.1 349.23 38.3 5.92E-03 20 4.84E-07 -9.41E-08 6.36E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 5 65 66.15 353.31 35 8.15E-03 20 7.04E-07 -8.43E-08 8.11E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 5 70 66.2 355.32 33.81 9.55E-03 20 8.38E-07 -7.02E-08 9.21E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 5 75 66.25 350.78 39.63 8.32E-03 20 6.71E-07 -1.11E-07 9.20E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 5 80 66.3 350.94 40.56 7.96E-03 20 6.34E-07 -1.03E-07 8.97E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 5 85 66.35 349.29 59.42 5.89E-03 20 3.12E-07 -6.04E-08 8.79E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 5 90 66.4 344.35 59 5.45E-03 20 2.87E-07 -8.22E-08 8.11E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 5 95 66.45 352.39 47.62 7.50E-03 20 5.32E-07 -7.27E-08 9.61E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 5 100 66.5 354.49 48.18 8.64E-03 20 6.08E-07 -6.00E-08 1.12E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 5 105 66.55 355.37 46.22 8.76E-03 20 6.41E-07 -5.30E-08 1.10E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 5 110 66.6 349.25 45.6 7.83E-03 20 5.71E-07 -1.11E-07 9.70E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 5 115 66.65 343.83 54.89 5.21E-03 20 3.05E-07 -9.05E-08 7.39E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 5 120 66.7 1.18 53.73 3.62E-03 20 2.27E-07 4.76E-09 5.06E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 5 125 66.75 350.5 44.84 3.86E-03 20 2.86E-07 -4.90E-08 4.72E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 5 130 66.8 344.16 49.49 3.50E-03 20 2.32E-07 -6.73E-08 4.62E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 5 135 66.85 346.34 53.6 3.14E-03 20 1.92E-07 -4.78E-08 4.39E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 5 140 66.9 350.53 36.62 4.80E-03 20 4.03E-07 -6.87E-08 4.96E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 5 145 66.95 350.52 29.66 6.66E-03 20 6.05E-07 -1.03E-07 5.71E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 5 150 67 350.3 32.2 6.00E-03 20 5.31E-07 -9.28E-08 5.54E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 6 0 67 354.86 30.19 2.29E-03 20 2.09E-07 -1.92E-08 2.00E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 6 5 67.05 347.32 33.15 4.94E-03 20 4.28E-07 -9.85E-08 4.68E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 6 10 67.1 341.73 50 2.59E-03 20 1.68E-07 -5.67E-08 3.44E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 6 15 67.15 344.48 41.46 3.68E-03 20 2.82E-07 -8.00E-08 4.22E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 6 20 67.2 340.01 30.16 5.91E-03 20 5.09E-07 -1.89E-07 5.15E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 6 25 67.25 332.25 34.8 5.47E-03 20 4.22E-07 -2.27E-07 5.41E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 6 30 67.3 323.75 67.91 2.25E-03 20 7.25E-08 -5.44E-08 3.62E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 6 35 67.35 356.24 43.35 3.28E-03 20 2.52E-07 -1.70E-08 3.90E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 6 40 67.4 352.2 28.32 8.15E-03 20 7.54E-07 -1.06E-07 6.70E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 6 45 67.45 345.91 29.52 9.28E-03 20 8.31E-07 -2.13E-07 7.93E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 6 50 67.5 341.51 30.12 7.12E-03 20 6.19E-07 -2.12E-07 6.19E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 6 55 67.55 350.8 29.74 5.82E-03 20 5.29E-07 -8.77E-08 5.01E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 6 60 67.6 359.9 38.32 3.96E-03 20 3.29E-07 -5.90E-10 4.25E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 6 65 67.65 1.44 50.9 2.87E-03 20 1.92E-07 4.93E-09 3.85E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 6 70 67.7 9.16 43.1 3.45E-03 20 2.64E-07 4.35E-08 4.09E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 6 75 67.75 1.31 37.37 3.69E-03 20 3.11E-07 7.27E-09 3.88E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 6 80 67.8 353.45 30.44 3.69E-03 20 3.35E-07 -3.94E-08 3.24E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 6 85 67.85 357.11 23.23 5.95E-03 20 5.79E-07 -2.99E-08 4.07E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 6 90 67.9 353.89 35.04 5.84E-03 20 5.05E-07 -5.52E-08 5.82E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 6 95 67.95 351.2 35.68 5.64E-03 20 4.80E-07 -7.60E-08 5.70E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 6 100 68 349.47 30.39 8.80E-03 20 7.91E-07 -1.51E-07 7.72E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 6 105 68.05 351.06 46.82 7.14E-03 20 5.12E-07 -8.24E-08 9.03E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 6 110 68.1 355.17 62.33 3.80E-03 20 1.87E-07 -1.61E-08 5.84E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 6 115 68.15 173.71 23.23 3.00E-03 20 -2.90E-07 3.27E-08 2.05E-07 4/1/97 Yes Yes 0 172 1063 C 8 H 6 120 68.2 170.9 -64.07 6.74E-03 20 -3.09E-07 5.05E-08 -1.05E-06 4/1/97 Yes Yes 0 172 1063 C 8 H 6 125 68.25 6.22 -61.85 5.89E-03 20 2.93E-07 3.27E-08 -9.01E-07 4/1/97 Yes Yes 0 172 1063 C 9 H 1 0 69 175.61 60.28 3.48E-03 20 -1.82E-07 1.43E-08 5.23E-07 4/1/97 Yes Yes 0 172 1063 C 9 H 1 5 69.05 108.65 79.59 7.25E-03 20 -4.44E-08 1.35E-07 1.24E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 1 10 69.1 29.82 59.33 1.18E-02 20 5.54E-07 3.25E-07 1.76E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 1 15 69.15 48.01 65.06 7.13E-03 20 2.13E-07 2.42E-07 1.12E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 1 20 69.2 257.38 29.93 5.20E-03 20 -1.04E-07 -4.77E-07 4.50E-07 4/1/97 Yes Yes 0 172 1063 C 9 H 1 25 69.25 285.1 44.74 5.83E-03 20 1.15E-07 -4.34E-07 7.12E-07 4/1/97 Yes Yes 0 172 1063 C 9 H 1 30 69.3 75.32 46.36 8.96E-03 20 1.66E-07 6.49E-07 1.12E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 1 35 69.35 73.03 29.49 1.55E-02 20 4.19E-07 1.40E-06 1.33E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 1 40 69.4 62.39 38.87 1.79E-02 20 6.83E-07 1.34E-06 1.94E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 1 45 69.45 62.96 43.58 1.72E-02 20 6.02E-07 1.21E-06 2.06E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 1 50 69.5 79.49 40.51 1.73E-02 20 2.55E-07 1.41E-06 1.95E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 1 55 69.55 102.18 43.05 1.66E-02 20 -2.72E-07 1.29E-06 1.97E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 1 60 69.6 118.02 44.41 1.44E-02 20 -5.11E-07 9.82E-07 1.74E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 1 65 69.65 118.54 42.79 1.30E-02 20 -4.84E-07 9.11E-07 1.53E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 1 70 69.7 110.06 48.04 1.34E-02 20 -3.25E-07 9.11E-07 1.72E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 1 75 69.75 98.68 47.63 1.64E-02 20 -1.77E-07 1.18E-06 2.10E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 1 80 69.8 83.53 46.36 1.80E-02 20 1.49E-07 1.34E-06 2.26E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 1 85 69.85 79.44 45.32 1.83E-02 20 2.50E-07 1.37E-06 2.26E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 1 90 69.9 81.84 47.88 1.84E-02 20 1.85E-07 1.32E-06 2.36E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 1 95 69.95 86.1 45.92 2.02E-02 20 1.01E-07 1.52E-06 2.51E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 1 100 70 83.76 48.96 2.28E-02 20 1.73E-07 1.62E-06 2.98E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 1 105 70.05 86.67 47.01 2.42E-02 20 1.01E-07 1.78E-06 3.06E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 1 110 70.1 83.5 48.39 2.11E-02 20 1.68E-07 1.51E-06 2.73E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 1 115 70.15 75.64 48.82 2.02E-02 20 3.50E-07 1.40E-06 2.64E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 1 120 70.2 79.19 40.44 2.29E-02 20 3.47E-07 1.86E-06 2.58E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 1 125 70.25 83.48 28.58 3.31E-02 20 3.50E-07 3.13E-06 2.75E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 1 130 70.3 87.99 25.63 4.13E-02 20 1.39E-07 4.04E-06 3.10E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 1 135 70.35 90.51 27.13 3.83E-02 20 -3.19E-08 3.69E-06 3.02E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 1 140 70.4 90.89 29.15 3.40E-02 20 -4.90E-08 3.22E-06 2.87E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 1 145 70.45 86.89 27.41 3.22E-02 20 1.64E-07 3.10E-06 2.57E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 1 150 70.5 87.22 25.22 2.45E-02 20 1.14E-07 2.40E-06 1.81E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 0 70.51 70.23 51.16 6.21E-03 20 1.40E-07 3.97E-07 8.38E-07 4/1/97 Yes Yes 0 172 1063 C 9 H 2 5 70.56 82.41 24.19 3.28E-02 20 4.19E-07 3.21E-06 2.33E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 10 70.61 85.64 28.77 3.28E-02 20 2.31E-07 3.11E-06 2.73E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 15 70.66 83.97 30.76 3.06E-02 20 2.93E-07 2.83E-06 2.71E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 20 70.71 84.09 30.71 3.23E-02 20 3.03E-07 2.99E-06 2.86E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 25 70.76 88.56 39.53 2.91E-02 20 5.97E-08 2.43E-06 3.21E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 30 70.81 93.46 50.59 2.67E-02 20 -1.09E-07 1.84E-06 3.58E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 35 70.86 97.54 63.33 2.53E-02 20 -1.58E-07 1.22E-06 3.92E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 40 70.91 89.93 65.63 2.75E-02 20 1.50E-09 1.23E-06 4.34E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 45 70.96 87.12 60.68 3.18E-02 20 8.30E-08 1.69E-06 4.80E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 50 71.01 93.22 57.4 3.49E-02 20 -1.12E-07 2.03E-06 5.09E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 55 71.06 89.92 59.86 3.10E-02 20 2.34E-09 1.69E-06 4.65E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 60 71.11 79.88 63.07 2.87E-02 20 2.42E-07 1.39E-06 4.44E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 65 71.16 63.48 63.72 2.79E-02 20 5.84E-07 1.20E-06 4.33E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 70 71.21 52.08 59.43 3.03E-02 20 1.00E-06 1.32E-06 4.52E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 75 71.26 47.42 56.52 2.95E-02 20 1.17E-06 1.30E-06 4.27E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 80 71.31 55.07 57.76 2.87E-02 20 9.30E-07 1.36E-06 4.21E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 85 71.36 75.37 58.85 2.60E-02 20 3.60E-07 1.41E-06 3.86E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 90 71.41 97.76 56.29 2.46E-02 20 -1.96E-07 1.47E-06 3.55E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 95 71.46 103.8 54.49 2.36E-02 20 -3.47E-07 1.45E-06 3.34E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 100 71.51 93.96 48.9 2.54E-02 20 -1.22E-07 1.81E-06 3.32E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 105 71.56 96.08 39.93 3.00E-02 20 -2.59E-07 2.48E-06 3.34E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 110 71.61 101.26 37.03 3.04E-02 20 -5.02E-07 2.58E-06 3.17E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 115 71.66 107.26 36.71 3.01E-02 20 -7.60E-07 2.50E-06 3.12E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 120 71.71 107.72 34.84 3.56E-02 20 -9.43E-07 3.02E-06 3.52E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 125 71.76 103.2 35.39 3.95E-02 20 -7.80E-07 3.40E-06 3.96E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 130 71.81 99.13 40.33 3.68E-02 20 -4.72E-07 3.00E-06 4.13E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 135 71.86 99.58 40.98 4.59E-02 20 -6.11E-07 3.70E-06 5.22E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 140 71.91 107.62 40.25 6.12E-02 20 -1.50E-06 4.83E-06 6.86E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 145 71.96 112.85 41.04 6.17E-02 20 -1.92E-06 4.65E-06 7.02E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 2 150 72.01 116.05 43.53 4.02E-02 20 -1.36E-06 2.84E-06 4.81E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 0 72.01 228.82 89.55 9.47E-03 20 -5.16E-09 -6.03E-09 1.64E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 5 72.06 98.59 46.96 3.92E-02 20 -4.23E-07 2.87E-06 4.96E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 10 72.11 100.23 42.55 6.09E-02 20 -8.45E-07 4.79E-06 7.14E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 15 72.16 108.73 43.17 6.51E-02 20 -1.62E-06 4.87E-06 7.72E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 20 72.21 116 49 5.84E-02 20 -1.78E-06 3.73E-06 7.64E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 25 72.26 109.4 57.12 5.32E-02 20 -1.02E-06 2.95E-06 7.74E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 30 72.31 94.24 54.69 5.59E-02 20 -2.53E-07 3.49E-06 7.91E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 35 72.36 88.58 54.21 4.78E-02 20 7.36E-08 3.03E-06 6.72E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 40 72.41 81.82 59.14 3.79E-02 20 2.93E-07 2.08E-06 5.63E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 45 72.46 79.83 50.71 4.36E-02 20 5.18E-07 2.95E-06 5.86E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 50 72.51 78.93 44.29 5.23E-02 20 7.62E-07 3.98E-06 6.33E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 55 72.56 81.35 44.38 4.46E-02 20 5.09E-07 3.42E-06 5.41E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 60 72.61 80.36 39.43 4.26E-02 20 5.84E-07 3.51E-06 4.69E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 65 72.66 83.33 38.84 3.44E-02 20 3.30E-07 2.88E-06 3.74E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 70 72.71 86.52 29.83 3.22E-02 20 1.80E-07 3.02E-06 2.77E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 75 72.76 92.63 25.86 2.66E-02 20 -1.16E-07 2.59E-06 2.01E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 80 72.81 97.56 39.5 1.10E-02 20 -1.19E-07 9.15E-07 1.22E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 85 72.86 103.47 49.13 1.09E-02 20 -1.76E-07 7.49E-07 1.42E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 90 72.91 102.26 36.52 2.07E-02 20 -3.75E-07 1.76E-06 2.14E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 95 72.96 97.72 37.3 2.55E-02 20 -2.90E-07 2.18E-06 2.68E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 100 73.01 93.85 41.03 2.54E-02 20 -1.37E-07 2.07E-06 2.89E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 105 73.06 89.86 50.92 2.24E-02 20 3.64E-09 1.53E-06 3.01E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 110 73.11 86.3 39.99 3.28E-02 20 1.72E-07 2.72E-06 3.65E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 115 73.16 90.32 29.45 5.09E-02 20 -2.66E-08 4.81E-06 4.34E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 120 73.21 93.95 28.85 4.74E-02 20 -3.03E-07 4.49E-06 3.96E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 125 73.26 96.87 31.55 3.79E-02 20 -4.10E-07 3.48E-06 3.44E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 130 73.31 97.87 34.01 3.62E-02 20 -4.36E-07 3.23E-06 3.51E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 135 73.36 101.03 38.55 3.65E-02 20 -5.79E-07 3.04E-06 3.94E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 140 73.41 102.84 42.99 3.80E-02 20 -6.56E-07 2.94E-06 4.50E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 145 73.46 90.22 38.66 4.90E-02 20 -1.53E-08 4.15E-06 5.30E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 3 150 73.51 88.59 32.26 4.63E-02 20 1.02E-07 4.24E-06 4.28E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 0 73.51 78.33 36.85 1.40E-02 20 2.40E-07 1.19E-06 1.45E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 5 73.56 86.74 20.97 5.00E-02 20 2.82E-07 5.05E-06 3.10E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 10 73.61 93.54 34.13 1.41E-02 20 -7.65E-08 1.27E-06 1.37E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 15 73.66 269.36 21.64 7.94E-03 20 -8.80E-09 -8.00E-07 5.08E-07 4/1/97 Yes Yes 0 172 1063 C 9 H 4 20 73.71 74.5 50.58 9.31E-03 20 1.68E-07 6.18E-07 1.25E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 25 73.76 89.41 25.03 2.95E-02 20 2.93E-08 2.90E-06 2.17E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 30 73.81 92.73 20.61 3.44E-02 20 -1.63E-07 3.49E-06 2.10E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 35 73.86 91.98 21.26 2.77E-02 20 -9.48E-08 2.80E-06 1.74E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 40 73.91 88.33 25.5 2.46E-02 20 6.87E-08 2.41E-06 1.83E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 45 73.96 84.57 33.19 2.32E-02 20 1.95E-07 2.10E-06 2.20E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 50 74.01 92.89 35.32 3.21E-02 20 -1.40E-07 2.84E-06 3.22E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 55 74.06 103.31 32.16 4.13E-02 20 -8.53E-07 3.69E-06 3.81E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 60 74.11 105.67 35.43 3.55E-02 20 -8.30E-07 3.02E-06 3.57E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 65 74.16 93.13 38.61 3.53E-02 20 -1.59E-07 2.98E-06 3.81E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 70 74.21 87.06 31.07 4.62E-02 20 2.15E-07 4.29E-06 4.13E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 75 74.26 88.78 27.34 5.40E-02 20 1.08E-07 5.20E-06 4.30E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 80 74.31 91.63 27.84 4.87E-02 20 -1.30E-07 4.67E-06 3.94E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 85 74.36 89.87 36.12 2.87E-02 20 5.65E-09 2.52E-06 2.94E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 90 74.41 85.28 50.18 1.89E-02 20 1.05E-07 1.30E-06 2.51E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 95 74.46 84.36 46.73 2.35E-02 20 1.68E-07 1.74E-06 2.97E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 100 74.51 84.55 42.38 2.91E-02 20 2.17E-07 2.32E-06 3.40E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 105 74.56 86.31 32.61 3.63E-02 20 2.08E-07 3.31E-06 3.39E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 110 74.61 95.41 27.48 4.02E-02 20 -3.56E-07 3.85E-06 3.21E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 115 74.66 104.45 30.78 3.73E-02 20 -8.48E-07 3.36E-06 3.31E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 120 74.71 103.83 40.9 3.06E-02 20 -5.86E-07 2.44E-06 3.47E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 125 74.76 90.59 46.02 3.29E-02 20 -2.49E-08 2.48E-06 4.10E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 130 74.81 92.47 41.53 3.87E-02 20 -1.32E-07 3.14E-06 4.44E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 135 74.86 100.46 39.64 3.65E-02 20 -5.41E-07 3.00E-06 4.03E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 140 74.91 96.09 38.55 3.23E-02 20 -2.84E-07 2.73E-06 3.49E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 145 74.96 84.01 36.47 2.91E-02 20 2.59E-07 2.52E-06 3.00E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 4 150 75.01 85.2 34.14 2.54E-02 20 1.87E-07 2.27E-06 2.47E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 5 0 75.01 339.39 71.2 4.19E-03 20 1.34E-07 -5.15E-08 6.87E-07 4/1/97 Yes Yes 0 172 1063 C 9 H 5 5 75.06 85.42 36.47 1.95E-02 20 1.33E-07 1.70E-06 2.01E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 5 10 75.11 91.94 31.67 2.89E-02 20 -8.86E-08 2.67E-06 2.63E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 5 15 75.16 95.06 37.17 2.32E-02 20 -1.73E-07 2.00E-06 2.43E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 5 20 75.21 95.68 46.83 1.76E-02 20 -1.27E-07 1.30E-06 2.23E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 5 25 75.26 94.78 43.98 1.65E-02 20 -1.05E-07 1.28E-06 1.98E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 5 30 75.31 84.91 35.43 1.92E-02 20 1.47E-07 1.69E-06 1.93E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 5 35 75.36 93.34 42.47 1.60E-02 20 -7.28E-08 1.28E-06 1.87E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 5 40 75.41 86.03 42.41 1.83E-02 20 9.93E-08 1.46E-06 2.14E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 5 45 75.46 89.54 34.95 2.85E-02 20 2.01E-08 2.54E-06 2.83E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 5 50 75.51 94.48 42.59 1.76E-02 20 -1.07E-07 1.40E-06 2.06E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 5 55 75.56 81.02 39.79 1.54E-02 20 1.96E-07 1.27E-06 1.71E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 5 60 75.61 92.22 22.37 2.98E-02 20 -1.13E-07 2.99E-06 1.97E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 5 65 75.66 99.53 18.27 2.70E-02 20 -4.51E-07 2.74E-06 1.47E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 5 70 75.71 110.84 35.22 7.36E-03 20 -2.27E-07 6.10E-07 7.36E-07 4/1/97 Yes Yes 0 172 1063 C 9 H 5 75 75.76 268.49 30.68 2.70E-03 20 -6.50E-09 -2.52E-07 2.39E-07 4/1/97 Yes Yes 0 172 1063 C 9 H 5 80 75.81 281.72 19.61 1.24E-03 20 2.52E-08 -1.24E-07 7.22E-08 4/1/97 Yes Yes 0 172 1063 C 9 H 5 85 75.86 286.65 41.86 3.54E-04 20 8.01E-09 -2.74E-08 4.10E-08 4/1/97 Yes Yes 0 172 1063 C 9 H 5 90 75.91 272.08 87.69 2.51E-04 20 3.89E-11 -1.09E-09 4.35E-08 4/1/97 Yes Yes 0 172 1063 C 9 H 5 95 75.96 230.64 64.63 3.68E-04 20 -1.06E-08 -1.32E-08 5.77E-08 4/1/97 Yes Yes 0 172 1063 C 9 H 5 100 76.01 256.03 24.67 1.20E-03 20 -2.80E-08 -1.15E-07 8.70E-08 4/1/97 Yes Yes 0 172 1063 C 9 H 5 105 76.06 264.7 19.09 3.68E-03 20 -3.40E-08 -3.75E-07 2.09E-07 4/1/97 Yes Yes 0 172 1063 C 9 H 5 110 76.11 70.03 62.07 5.84E-03 20 9.91E-08 2.79E-07 8.95E-07 4/1/97 Yes Yes 0 172 1063 C 9 H 5 115 76.16 89.44 25.5 3.36E-02 20 3.14E-08 3.29E-06 2.51E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 5 120 76.21 89.67 22.88 4.10E-02 20 2.29E-08 4.09E-06 2.76E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 5 125 76.26 88.49 31.62 1.98E-02 20 4.72E-08 1.83E-06 1.80E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 5 130 76.31 341.24 81.17 5.05E-03 20 7.78E-08 -2.70E-08 8.65E-07 4/1/97 Yes Yes 0 172 1063 C 9 H 5 135 76.36 81.94 29.57 1.72E-02 20 2.22E-07 1.60E-06 1.47E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 5 140 76.41 87.19 28.07 2.50E-02 20 1.15E-07 2.39E-06 2.04E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 5 145 76.46 97.76 38.17 1.76E-02 20 -1.98E-07 1.49E-06 1.88E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 5 150 76.51 99.42 48.87 6.71E-03 20 -7.67E-08 4.72E-07 8.77E-07 4/1/97 Yes Yes 0 172 1063 C 9 H 6 0 76.51 109.02 70.25 4.43E-03 20 -5.17E-08 1.53E-07 7.22E-07 4/1/97 Yes Yes 0 172 1063 C 9 H 6 5 76.56 89.04 29.84 2.94E-02 20 4.52E-08 2.76E-06 2.53E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 6 10 76.61 87.02 29.87 3.90E-02 20 1.86E-07 3.66E-06 3.37E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 6 15 76.66 92.43 41.08 1.64E-02 20 -5.56E-08 1.34E-06 1.87E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 6 20 76.71 250.61 72.37 4.50E-03 20 -4.80E-08 -1.40E-07 7.44E-07 4/1/97 Yes Yes 0 172 1063 C 9 H 6 25 76.76 61.09 58.29 8.16E-03 20 2.20E-07 4.07E-07 1.20E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 6 30 76.81 69.53 43.28 1.95E-02 20 5.26E-07 1.44E-06 2.31E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 6 35 76.86 75.68 31.39 3.02E-02 20 6.77E-07 2.71E-06 2.73E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 6 40 76.91 76.81 31.4 2.86E-02 20 5.90E-07 2.58E-06 2.58E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 6 45 76.96 79.6 31.87 2.32E-02 20 3.78E-07 2.10E-06 2.12E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 6 50 77.01 88.64 28.48 2.10E-02 20 4.63E-08 2.00E-06 1.73E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 6 55 77.06 92.41 23.52 2.00E-02 20 -8.20E-08 1.99E-06 1.39E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 6 60 77.11 98.29 26.15 1.39E-02 20 -1.91E-07 1.34E-06 1.06E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 6 65 77.16 108.84 31.34 1.02E-02 20 -2.97E-07 8.91E-07 9.16E-07 4/1/97 Yes Yes 0 172 1063 C 9 H 6 70 77.21 110.33 30.52 1.19E-02 20 -3.78E-07 1.04E-06 1.05E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 6 75 77.26 109.05 42.95 1.13E-02 20 -2.85E-07 8.44E-07 1.33E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 6 80 77.31 102.17 54.21 1.01E-02 20 -1.33E-07 6.28E-07 1.42E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 6 85 77.36 92.5 44.16 1.38E-02 20 -4.59E-08 1.07E-06 1.67E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 6 90 77.41 98.02 32.51 1.91E-02 20 -2.38E-07 1.73E-06 1.78E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 6 95 77.46 108.49 31.43 1.49E-02 20 -4.28E-07 1.31E-06 1.35E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 6 100 77.51 125.99 49.38 5.20E-03 20 -2.11E-07 2.97E-07 6.85E-07 4/1/97 Yes Yes 0 172 1063 C 9 H 6 105 77.56 96.65 64.84 4.71E-03 20 -2.46E-08 2.16E-07 7.40E-07 4/1/97 Yes Yes 0 172 1063 C 9 H 6 110 77.61 102.37 29.78 1.56E-02 20 -3.08E-07 1.44E-06 1.35E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 6 115 77.66 105.51 29.21 1.24E-02 20 -3.07E-07 1.13E-06 1.05E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 6 120 77.71 21.07 77.34 2.20E-03 20 4.78E-08 1.88E-08 3.73E-07 4/1/97 Yes Yes 0 172 1063 C 9 H 6 125 77.76 65.96 29.29 4.63E-03 20 1.74E-07 4.00E-07 3.92E-07 4/1/97 Yes Yes 0 172 1063 C 9 H 6 130 77.81 82.99 25.26 4.98E-03 20 5.84E-08 4.85E-07 3.69E-07 4/1/97 Yes Yes 0 172 1063 C 9 H 6 135 77.86 82.89 48.35 1.51E-03 20 1.32E-08 1.08E-07 1.96E-07 4/1/97 Yes Yes 0 172 1063 C 9 H 6 140 77.91 103.92 77.03 5.17E-04 20 -2.96E-09 1.22E-08 8.74E-08 4/1/97 Yes Yes 0 172 1063 C 9 H 6 145 77.96 85.85 34.54 5.93E-04 20 3.74E-09 5.28E-08 5.82E-08 4/1/97 Yes Yes 0 172 1063 C 9 H 6 150 78.01 86.69 21.33 7.71E-04 20 4.40E-09 7.78E-08 4.86E-08 4/1/97 Yes Yes 0 172 1063 C 9 H 7 0 78.01 274.44 10.13 2.88E-03 20 2.33E-08 -3.07E-07 8.79E-08 4/1/97 Yes Yes 0 172 1063 C 9 H 7 5 78.06 262.17 56.85 4.18E-03 20 -3.31E-08 -2.46E-07 6.07E-07 4/1/97 Yes Yes 0 172 1063 C 9 H 7 10 78.11 107.08 43 1.77E-02 20 -4.04E-07 1.34E-06 2.09E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 7 15 78.16 99.42 33.69 3.17E-02 20 -4.58E-07 2.83E-06 3.05E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 7 20 78.21 88.21 23.17 4.66E-02 20 1.42E-07 4.65E-06 3.18E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 7 25 78.26 83.65 18.83 5.08E-02 20 5.63E-07 5.18E-06 2.84E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 7 30 78.31 84.95 21.16 3.31E-02 20 2.88E-07 3.34E-06 2.07E-06 4/1/97 Yes Yes 0 172 1063 C 9 H 7 35 78.36 86.26 24.68 1.50E-02 20 9.44E-08 1.48E-06 1.09E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 1 0 78.5 110.51 -9.42 4.50E-04 20 -1.65E-08 4.51E-08 -1.28E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 1 5 78.55 261.07 -34.39 4.92E-04 20 -6.68E-09 -4.35E-08 -4.82E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 1 10 78.6 279.13 14.1 7.10E-04 20 1.16E-08 -7.37E-08 3.00E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 1 15 78.65 230.03 51.96 2.30E-04 20 -9.64E-09 -1.18E-08 3.14E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 1 20 78.7 275.79 42.01 3.39E-04 20 2.69E-09 -2.72E-08 3.93E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 1 25 78.75 257.85 42.96 3.73E-04 20 -6.10E-09 -2.90E-08 4.41E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 1 30 78.8 258.66 43.66 4.85E-04 20 -7.32E-09 -3.73E-08 5.80E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 1 35 78.85 246.91 56.05 5.56E-04 20 -1.29E-08 -3.10E-08 8.00E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 1 40 78.9 245.94 58.45 5.62E-04 20 -1.27E-08 -2.91E-08 8.30E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 1 45 78.95 245.62 64.62 5.27E-04 20 -9.90E-09 -2.23E-08 8.26E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 1 50 79 228.82 55.54 7.46E-04 20 -2.95E-08 -3.45E-08 1.07E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 1 55 79.05 209.52 56.65 7.07E-04 20 -3.59E-08 -2.08E-08 1.02E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 1 60 79.1 247.2 63.39 8.00E-04 20 -1.47E-08 -3.58E-08 1.24E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 1 65 79.15 252.62 36.89 2.30E-03 20 -5.82E-08 -1.90E-07 2.39E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 1 70 79.2 241.15 27.75 4.38E-03 20 -1.99E-07 -3.69E-07 3.54E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 1 75 79.25 223.81 40.1 1.66E-03 20 -9.73E-08 -9.54E-08 1.86E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 1 80 79.3 67.5 50.36 5.40E-04 20 1.40E-08 3.45E-08 7.20E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 1 85 79.35 353.96 79.54 5.10E-04 20 9.76E-09 -1.06E-09 8.69E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 1 90 79.4 245.12 51.58 1.60E-03 20 -4.44E-08 -9.80E-08 2.18E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 1 95 79.45 171.86 72.09 2.02E-03 20 -6.54E-08 9.56E-09 3.34E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 1 100 79.5 270.9 62.71 4.82E-03 20 3.69E-09 -2.40E-07 7.42E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 1 105 79.55 256.9 49.42 1.10E-02 20 -1.71E-07 -7.53E-07 1.44E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 1 110 79.6 249.57 55.75 1.01E-02 20 -2.11E-07 -5.78E-07 1.45E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 1 115 79.65 237.14 55.19 8.35E-03 20 -2.74E-07 -4.34E-07 1.19E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 1 120 79.7 242.03 55.97 6.27E-03 20 -1.74E-07 -3.36E-07 9.01E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 1 125 79.75 243.86 39.49 7.96E-03 20 -2.87E-07 -5.98E-07 8.77E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 1 130 79.8 238.84 30.94 9.32E-03 20 -4.39E-07 -7.42E-07 8.30E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 1 135 79.85 234.58 30.08 7.28E-03 20 -3.87E-07 -5.56E-07 6.32E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 1 140 79.9 228.49 36.06 3.96E-03 20 -2.25E-07 -2.60E-07 4.04E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 1 145 79.95 153.59 80.65 1.03E-03 20 -1.59E-08 8.07E-09 1.76E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 1 150 80 58.43 50.02 5.37E-04 20 1.92E-08 3.19E-08 7.14E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 2 0 80 54.79 15.07 1.03E-03 20 6.09E-08 8.82E-08 4.65E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 2 5 80.05 255.71 68.23 1.33E-03 20 -1.29E-08 -5.19E-08 2.14E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 2 10 80.1 233.93 27.01 8.47E-03 20 -4.71E-07 -6.62E-07 6.67E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 2 15 80.15 235.66 28.16 1.13E-02 20 -5.96E-07 -8.92E-07 9.25E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 2 20 80.2 237.99 33.83 7.10E-03 20 -3.32E-07 -5.43E-07 6.86E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 2 25 80.25 254.82 74.46 1.82E-03 20 -1.36E-08 -5.11E-08 3.04E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 2 30 80.3 21.65 53.9 1.72E-03 20 9.96E-08 4.04E-08 2.40E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 2 35 80.35 326.55 76.67 2.97E-03 20 6.05E-08 -4.09E-08 5.00E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 2 40 80.4 218.83 52.44 7.42E-03 20 -3.74E-07 -3.08E-07 1.02E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 2 45 80.45 223.24 37.21 1.28E-02 20 -7.88E-07 -7.57E-07 1.34E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 2 50 80.5 236.47 33.62 1.76E-02 20 -8.60E-07 -1.33E-06 1.69E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 2 55 80.55 235.86 37.38 1.59E-02 20 -7.52E-07 -1.13E-06 1.67E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 2 60 80.6 244.12 55.11 8.66E-03 20 -2.29E-07 -4.83E-07 1.23E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 2 65 80.65 244.34 65.53 7.87E-03 20 -1.50E-07 -3.19E-07 1.24E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 2 70 80.7 225.11 61.94 7.42E-03 20 -2.61E-07 -2.68E-07 1.13E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 2 75 80.75 234.11 50.42 7.69E-03 20 -3.05E-07 -4.31E-07 1.03E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 2 80 80.8 241.77 42.14 7.40E-03 20 -2.75E-07 -5.24E-07 8.60E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 2 85 80.85 241.19 43.39 4.99E-03 20 -1.85E-07 -3.45E-07 5.94E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 2 90 80.9 168.54 76.26 1.21E-03 20 -2.99E-08 6.19E-09 2.04E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 2 95 80.95 57.16 37.02 5.40E-04 20 2.48E-08 3.93E-08 5.63E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 2 100 81 322.54 71.36 2.38E-04 20 6.42E-09 -5.03E-09 3.92E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 2 105 81.05 252.05 62.95 1.99E-04 20 -2.96E-09 -9.35E-09 3.08E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 2 110 81.1 260.79 67.89 1.60E-04 20 -1.02E-09 -6.46E-09 2.58E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 2 115 81.15 247.15 54.24 1.54E-04 20 -3.72E-09 -9.02E-09 2.17E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 2 120 81.2 244.68 61.53 1.18E-04 20 -2.55E-09 -5.52E-09 1.80E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 2 125 81.25 352.34 86.06 1.22E-04 20 8.80E-10 -1.21E-10 2.11E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 2 130 81.3 62.49 80.45 1.96E-04 20 1.59E-09 3.13E-09 3.36E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 2 135 81.35 262.95 74.22 3.85E-04 20 -1.36E-09 -1.13E-08 6.42E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 2 140 81.4 255.91 48.06 8.91E-04 20 -1.54E-08 -6.26E-08 1.15E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 2 145 81.45 252.87 47.68 1.30E-03 20 -2.73E-08 -9.07E-08 1.67E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 2 150 81.5 238.33 51.08 9.99E-04 20 -3.49E-08 -5.79E-08 1.35E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 3 0 81.5 347.13 82.7 8.55E-04 20 1.12E-08 -2.63E-09 1.47E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 3 5 81.55 223.53 55.7 3.75E-03 20 -1.62E-07 -1.58E-07 5.37E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 3 10 81.6 220.96 48.74 5.92E-03 20 -3.13E-07 -2.78E-07 7.71E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 3 15 81.65 227.7 58.07 4.51E-03 20 -1.70E-07 -1.91E-07 6.63E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 3 20 81.7 257.61 64.21 3.41E-03 20 -3.38E-08 -1.57E-07 5.33E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 3 25 81.75 277.02 65.53 3.28E-03 20 1.76E-08 -1.46E-07 5.17E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 3 30 81.8 252.15 52.39 4.88E-03 20 -9.67E-08 -3.07E-07 6.70E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 3 35 81.85 232.54 51.37 4.32E-03 20 -1.74E-07 -2.32E-07 5.85E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 3 40 81.9 246.53 62.97 2.91E-03 20 -5.58E-08 -1.31E-07 4.49E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 3 45 81.95 249.8 62.1 3.19E-03 20 -5.47E-08 -1.52E-07 4.89E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 3 50 82 250.31 41.85 5.59E-03 20 -1.49E-07 -4.25E-07 6.47E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 3 55 82.05 231.63 38.73 6.01E-03 20 -3.09E-07 -3.99E-07 6.52E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 3 60 82.1 166.77 58.06 1.63E-03 20 -8.89E-08 2.14E-08 2.40E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 3 65 82.15 67.66 27.09 1.49E-03 20 5.34E-08 1.33E-07 1.17E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 3 70 82.2 344.73 74.68 1.42E-03 20 3.83E-08 -1.07E-08 2.37E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 3 75 82.25 259.39 40.78 6.02E-03 20 -8.90E-08 -4.86E-07 6.82E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 3 80 82.3 236.66 39.28 1.44E-02 20 -6.50E-07 -1.01E-06 1.58E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 3 85 82.35 224.82 39.34 2.23E-02 20 -1.30E-06 -1.32E-06 2.45E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 3 90 82.4 228.78 32.71 2.86E-02 20 -1.68E-06 -1.96E-06 2.68E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 3 95 82.45 232.97 32.63 2.79E-02 20 -1.50E-06 -2.03E-06 2.61E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 3 100 82.5 231.3 48.51 1.59E-02 20 -6.98E-07 -8.91E-07 2.06E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 3 105 82.55 252.84 56.04 1.42E-02 20 -2.49E-07 -8.23E-07 2.05E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 3 110 82.6 241.53 52.06 1.67E-02 20 -5.18E-07 -9.77E-07 2.28E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 3 115 82.65 237.04 48.77 1.62E-02 20 -6.16E-07 -9.72E-07 2.11E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 3 120 82.7 252.41 49.75 1.43E-02 20 -2.96E-07 -9.53E-07 1.89E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 3 125 82.75 257.18 50.25 1.65E-02 20 -2.49E-07 -1.12E-06 2.20E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 3 130 82.8 244.47 46.18 1.73E-02 20 -5.47E-07 -1.17E-06 2.16E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 3 135 82.85 238.76 40.89 1.66E-02 20 -6.90E-07 -1.16E-06 1.88E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 3 140 82.9 256.32 37.33 1.58E-02 20 -3.14E-07 -1.32E-06 1.66E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 3 145 82.95 274.56 38.91 1.53E-02 20 1.00E-07 -1.29E-06 1.67E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 3 150 83 294.92 43.83 1.41E-02 20 4.55E-07 -1.00E-06 1.69E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 4 0 83 326.47 36.23 3.76E-03 20 2.69E-07 -1.82E-07 3.86E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 4 5 83.05 298.65 33.22 2.20E-02 20 9.34E-07 -1.75E-06 2.09E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 4 10 83.1 277.88 42.33 2.91E-02 20 3.13E-07 -2.31E-06 3.40E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 4 15 83.15 254.71 51.63 2.02E-02 20 -3.50E-07 -1.31E-06 2.74E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 4 20 83.2 247.93 62.44 1.03E-02 20 -1.89E-07 -4.77E-07 1.58E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 4 25 83.25 278.75 59.66 8.46E-03 20 6.90E-08 -4.58E-07 1.27E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 4 30 83.3 263.62 59.54 6.34E-03 20 -3.79E-08 -3.47E-07 9.48E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 4 35 83.35 269.36 65.63 4.00E-03 20 -1.95E-09 -1.79E-07 6.31E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 4 40 83.4 292.63 49.3 3.15E-03 20 8.37E-08 -2.05E-07 4.13E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 4 45 83.45 296.64 53.08 2.45E-03 20 6.99E-08 -1.42E-07 3.39E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 4 50 83.5 344.45 80.74 1.34E-03 20 2.20E-08 -6.27E-09 2.29E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 4 55 83.55 51.25 82.3 7.80E-04 20 6.94E-09 8.84E-09 1.34E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 4 60 83.6 277 78.68 5.27E-04 20 1.34E-09 -1.11E-08 8.95E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 4 65 83.65 273.48 67.23 4.24E-04 20 1.06E-09 -1.78E-08 6.78E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 4 70 83.7 341.9 65.31 3.69E-04 20 1.56E-08 -5.20E-09 5.82E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 4 75 83.75 208.79 78.17 3.64E-04 20 -6.94E-09 -3.90E-09 6.18E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 4 80 83.8 228.1 64.56 2.22E-04 20 -6.77E-09 -7.71E-09 3.48E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 4 85 83.85 325.96 46.33 3.43E-04 20 2.08E-08 -1.44E-08 4.30E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 4 90 83.9 282.99 78.95 3.65E-04 20 1.67E-09 -7.39E-09 6.20E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 4 95 83.95 159.93 57.46 2.74E-04 20 -1.47E-08 5.48E-09 4.00E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 4 100 84 265.3 57.72 3.40E-04 20 -1.58E-09 -1.96E-08 4.98E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 4 105 84.05 249.35 56.97 4.91E-04 20 -1.00E-08 -2.71E-08 7.13E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 4 110 84.1 250.2 61.62 5.99E-04 20 -1.02E-08 -2.91E-08 9.14E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 4 115 84.15 246.92 63.94 8.13E-04 20 -1.49E-08 -3.56E-08 1.27E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 4 120 84.2 256.51 56.66 1.14E-03 20 -1.54E-08 -6.58E-08 1.64E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 4 125 84.25 240.74 55.46 1.45E-03 20 -4.26E-08 -7.78E-08 2.07E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 4 130 84.3 228.85 57.4 1.26E-03 20 -4.74E-08 -5.54E-08 1.84E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 4 135 84.35 229.27 62.85 1.06E-03 20 -3.34E-08 -3.97E-08 1.63E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 4 140 84.4 238.24 67.45 9.60E-04 20 -2.06E-08 -3.39E-08 1.54E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 4 145 84.45 253.84 59.65 1.18E-03 20 -1.76E-08 -6.20E-08 1.76E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 4 150 84.5 241.16 47.83 1.60E-03 20 -5.51E-08 -1.02E-07 2.06E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 5 0 84.5 256.3 56.44 1.18E-03 20 -1.64E-08 -6.87E-08 1.70E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 5 5 84.55 234.31 35.85 4.60E-03 20 -2.31E-07 -3.29E-07 4.67E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 5 10 84.6 193.01 47.31 2.33E-03 20 -1.64E-07 -3.87E-08 2.97E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 5 15 84.65 74.43 56.12 5.67E-04 20 9.00E-09 3.30E-08 8.16E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 5 20 84.7 52.06 65.12 2.82E-04 20 7.75E-09 1.02E-08 4.44E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 5 25 84.75 260.13 84.77 2.37E-04 20 -3.94E-10 -2.31E-09 4.10E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 5 30 84.8 302.17 69.36 3.73E-04 20 7.43E-09 -1.21E-08 6.06E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 5 35 84.85 236.8 41.03 6.09E-04 20 -2.67E-08 -4.17E-08 6.93E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 5 40 84.9 230.45 51.43 3.43E-04 20 -1.44E-08 -1.79E-08 4.64E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 5 45 84.95 249.06 71.1 2.67E-04 20 -3.28E-09 -8.77E-09 4.39E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 5 50 85 258.82 69.61 3.12E-04 20 -2.23E-09 -1.16E-08 5.06E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 5 55 85.05 249.87 60.21 5.39E-04 20 -9.77E-09 -2.73E-08 8.10E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 5 60 85.1 235.28 57.27 1.09E-03 20 -3.57E-08 -5.26E-08 1.59E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 5 65 85.15 233.34 52.48 1.87E-03 20 -7.22E-08 -9.92E-08 2.57E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 5 70 85.2 239.07 33.69 4.42E-03 20 -2.00E-07 -3.42E-07 4.25E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 5 75 85.25 220.28 36.15 4.45E-03 20 -2.91E-07 -2.52E-07 4.55E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 5 80 85.3 157.74 60.61 1.54E-03 20 -7.42E-08 3.10E-08 2.33E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 5 85 85.35 56.41 56.17 9.65E-04 20 3.15E-08 4.85E-08 1.39E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 5 90 85.4 115.43 77.43 1.34E-03 20 -1.33E-08 2.86E-08 2.27E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 5 95 85.45 218.86 59.46 2.94E-03 20 -1.23E-07 -1.02E-07 4.38E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 5 100 85.5 244.7 47.83 7.21E-03 20 -2.20E-07 -4.75E-07 9.27E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 5 105 85.55 253.27 45.39 1.25E-02 20 -2.68E-07 -9.12E-07 1.54E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 5 110 85.6 246.13 56.1 1.35E-02 20 -3.23E-07 -7.47E-07 1.94E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 5 115 85.65 232.88 57.05 1.60E-02 20 -5.55E-07 -7.50E-07 2.32E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 5 120 85.7 224.88 47.08 2.12E-02 20 -1.09E-06 -1.11E-06 2.70E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 5 125 85.75 224.27 45.8 2.04E-02 20 -1.08E-06 -1.08E-06 2.54E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 5 130 85.8 226.05 47.46 2.15E-02 20 -1.07E-06 -1.13E-06 2.74E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 5 135 85.85 228.5 46.74 2.35E-02 20 -1.13E-06 -1.31E-06 2.96E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 5 140 85.9 233.92 46.31 2.33E-02 20 -1.00E-06 -1.41E-06 2.92E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 5 145 85.95 235.69 40.26 2.71E-02 20 -1.24E-06 -1.85E-06 3.04E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 5 150 86 228.16 37.68 2.19E-02 20 -1.23E-06 -1.40E-06 2.32E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 6 0 86 11.09 77.84 2.61E-03 20 5.73E-08 1.15E-08 4.43E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 6 5 86.05 233.19 35.65 1.38E-02 20 -7.11E-07 -9.72E-07 1.39E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 6 10 86.1 231.79 30.57 2.00E-02 20 -1.13E-06 -1.47E-06 1.76E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 6 15 86.15 233.37 34.35 1.83E-02 20 -9.54E-07 -1.31E-06 1.79E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 6 20 86.2 234.8 38.58 1.67E-02 20 -7.96E-07 -1.15E-06 1.80E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 6 25 86.25 237.55 37.01 1.98E-02 20 -8.99E-07 -1.45E-06 2.06E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 6 30 86.3 235.63 35.89 2.21E-02 20 -1.07E-06 -1.60E-06 2.25E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 6 35 86.35 232.63 37.04 2.18E-02 20 -1.12E-06 -1.50E-06 2.28E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 6 40 86.4 229.73 39.41 1.87E-02 20 -9.89E-07 -1.19E-06 2.06E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 6 45 86.45 221.04 50.82 1.36E-02 20 -6.87E-07 -6.11E-07 1.83E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 6 50 86.5 209.79 54.38 1.35E-02 20 -7.23E-07 -4.23E-07 1.90E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 6 55 86.55 207.17 50.64 1.30E-02 20 -7.78E-07 -4.09E-07 1.74E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 6 60 86.6 266.84 55.58 7.77E-03 20 -2.57E-08 -4.75E-07 1.11E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 6 65 86.65 250.84 22.13 1.31E-02 20 -4.23E-07 -1.24E-06 8.56E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 6 70 86.7 237.18 7.57 1.43E-02 20 -8.12E-07 -1.29E-06 3.26E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 6 75 86.75 238.03 1.64 1.77E-02 20 -9.95E-07 -1.63E-06 8.78E-08 4/1/97 Yes Yes 0 172 1063 C 10 H 6 80 86.8 237.27 5.98 1.70E-02 20 -9.68E-07 -1.54E-06 3.06E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 6 85 86.85 234.34 9.34 1.92E-02 20 -1.17E-06 -1.67E-06 5.39E-07 4/1/97 Yes Yes 0 172 1063 C 10 H 6 90 86.9 236.12 20.29 1.83E-02 20 -1.01E-06 -1.54E-06 1.10E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 6 95 86.95 232.04 28.33 1.92E-02 20 -1.10E-06 -1.44E-06 1.58E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 6 100 87 224.75 32.57 1.58E-02 20 -1.00E-06 -1.02E-06 1.47E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 6 105 87.05 226 44.22 1.03E-02 20 -5.45E-07 -5.77E-07 1.25E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 6 110 87.1 241.34 51.88 7.56E-03 20 -2.37E-07 -4.44E-07 1.03E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 6 115 87.15 243.68 47.5 8.72E-03 20 -2.77E-07 -5.73E-07 1.11E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 6 120 87.2 240.08 49.75 8.60E-03 20 -2.94E-07 -5.22E-07 1.14E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 6 125 87.25 235.19 54.72 8.12E-03 20 -2.84E-07 -4.17E-07 1.15E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 6 130 87.3 239.68 60.38 8.46E-03 20 -2.24E-07 -3.92E-07 1.28E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 6 135 87.35 250.66 55.91 1.23E-02 20 -2.43E-07 -7.08E-07 1.77E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 6 140 87.4 228.06 45.38 2.28E-02 20 -1.14E-06 -1.29E-06 2.82E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 6 145 87.45 217.99 21.75 3.80E-02 20 -2.95E-06 -2.36E-06 2.44E-06 4/1/97 Yes Yes 0 172 1063 C 10 H 6 150 87.5 215.36 14.59 3.13E-02 20 -2.62E-06 -1.90E-06 1.37E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 1 0 88 310.04 18.43 3.33E-03 20 2.15E-07 -2.62E-07 1.82E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 1 5 88.05 258.8 49.38 7.26E-03 20 -9.73E-08 -5.03E-07 9.55E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 1 10 88.1 171.41 49.5 1.58E-02 20 -1.08E-06 1.67E-07 2.09E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 1 15 88.15 171.59 61.14 1.77E-02 20 -8.98E-07 1.36E-07 2.69E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 1 20 88.2 167.52 70.07 1.72E-02 20 -6.09E-07 1.38E-07 2.81E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 1 25 88.25 166.67 69.37 1.76E-02 20 -6.40E-07 1.55E-07 2.86E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 1 30 88.3 143.35 72.79 1.74E-02 20 -4.38E-07 3.33E-07 2.88E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 1 35 88.35 106.23 69.75 1.80E-02 20 -1.85E-07 6.50E-07 2.93E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 1 40 88.4 105.85 62.52 1.95E-02 20 -2.61E-07 9.41E-07 3.01E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 1 45 88.45 129.57 52.46 1.87E-02 20 -7.71E-07 9.54E-07 2.57E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 1 50 88.5 141.2 49.78 1.41E-02 20 -7.50E-07 6.17E-07 1.86E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 1 55 88.55 143.47 49.32 1.07E-02 20 -5.96E-07 4.51E-07 1.41E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 1 60 88.6 149.96 60.98 8.89E-03 20 -3.96E-07 2.34E-07 1.35E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 1 65 88.65 160.7 63.45 9.69E-03 20 -4.33E-07 1.55E-07 1.50E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 1 70 88.7 163.97 56.31 1.41E-02 20 -7.97E-07 2.34E-07 2.03E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 1 75 88.75 169.27 53.34 1.98E-02 20 -1.23E-06 2.38E-07 2.75E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 1 80 88.8 162.25 59.52 2.11E-02 20 -1.08E-06 3.54E-07 3.15E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 1 85 88.85 146.3 56.27 2.48E-02 20 -1.21E-06 8.28E-07 3.57E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 1 90 88.9 139.24 50.66 2.56E-02 20 -1.31E-06 1.15E-06 3.44E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 1 95 88.95 136.95 52.12 2.45E-02 20 -1.17E-06 1.11E-06 3.35E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 1 100 89 152.14 57.2 2.45E-02 20 -1.25E-06 6.74E-07 3.58E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 1 105 89.05 153.79 52.34 2.64E-02 20 -1.54E-06 7.74E-07 3.63E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 1 110 89.1 152.03 39.56 3.44E-02 20 -2.48E-06 1.35E-06 3.79E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 1 115 89.15 152.22 41.25 2.85E-02 20 -2.01E-06 1.08E-06 3.26E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 1 120 89.2 152.77 49.56 2.38E-02 20 -1.45E-06 7.65E-07 3.13E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 1 125 89.25 149.15 53.26 2.24E-02 20 -1.22E-06 7.46E-07 3.11E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 1 130 89.3 151.25 51.49 2.56E-02 20 -1.48E-06 8.32E-07 3.48E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 1 135 89.35 152.28 51.5 2.83E-02 20 -1.65E-06 8.89E-07 3.84E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 1 140 89.4 142.68 53.01 3.18E-02 20 -1.62E-06 1.26E-06 4.41E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 1 145 89.45 136.91 57.23 3.44E-02 20 -1.44E-06 1.38E-06 5.02E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 1 150 89.5 146.94 64.13 2.89E-02 20 -1.12E-06 7.46E-07 4.50E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 2 0 89.5 359.83 73.26 6.15E-03 20 1.88E-07 -5.72E-10 1.02E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 2 5 89.55 81.17 65.71 2.05E-02 20 1.37E-07 9.02E-07 3.23E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 2 10 89.6 94.02 61.84 3.08E-02 20 -1.08E-07 1.57E-06 4.70E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 2 15 89.65 100.02 61.24 3.16E-02 20 -2.81E-07 1.63E-06 4.81E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 2 20 89.7 98.06 46.13 3.09E-02 20 -3.18E-07 2.30E-06 3.86E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 2 25 89.75 114.83 44.92 1.69E-02 20 -5.34E-07 1.18E-06 2.07E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 2 30 89.8 231.75 66.79 5.01E-03 20 -1.30E-07 -1.68E-07 7.99E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 2 35 89.85 299.14 48.41 3.65E-03 20 1.25E-07 -2.30E-07 4.74E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 2 40 89.9 335.27 85.55 4.09E-03 20 3.06E-08 -1.44E-08 7.07E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 2 45 89.95 132.44 29.93 1.66E-02 20 -1.03E-06 1.15E-06 1.44E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 2 50 90 140.21 24.02 3.30E-02 20 -2.46E-06 2.09E-06 2.33E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 2 55 90.05 150.87 27.39 3.87E-02 20 -3.18E-06 1.81E-06 3.09E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 2 60 90.1 154.51 32.2 3.97E-02 20 -3.21E-06 1.57E-06 3.66E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 2 65 90.15 161.57 35.83 3.51E-02 20 -2.87E-06 9.77E-07 3.57E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 2 70 90.2 161.69 41.52 3.08E-02 20 -2.32E-06 7.85E-07 3.54E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 2 75 90.25 147.26 43.25 3.69E-02 20 -2.40E-06 1.57E-06 4.38E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 2 80 90.3 144.79 45.94 4.16E-02 20 -2.50E-06 1.81E-06 5.18E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 2 85 90.35 150.16 50.49 3.96E-02 20 -2.32E-06 1.36E-06 5.30E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 2 90 90.4 147.23 55.26 3.71E-02 20 -1.89E-06 1.24E-06 5.29E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 2 95 90.45 141.81 61.29 3.40E-02 20 -1.36E-06 1.10E-06 5.17E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 2 100 90.5 144.53 60.31 3.65E-02 20 -1.56E-06 1.14E-06 5.49E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 2 105 90.55 145.15 53.68 4.59E-02 20 -2.37E-06 1.69E-06 6.41E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 2 110 90.6 144.34 54.61 5.28E-02 20 -2.64E-06 1.93E-06 7.47E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 2 115 90.65 144.34 65.36 5.12E-02 20 -1.84E-06 1.35E-06 8.06E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 2 120 90.7 124.66 72.62 5.00E-02 20 -9.01E-07 1.33E-06 8.27E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 2 125 90.75 116.31 64.71 5.25E-02 20 -1.05E-06 2.18E-06 8.23E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 2 130 90.8 119.5 56.77 5.45E-02 20 -1.56E-06 2.82E-06 7.90E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 2 135 90.85 119.87 50.92 6.25E-02 20 -2.08E-06 3.70E-06 8.40E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 2 140 90.9 128.63 50.27 6.57E-02 20 -2.78E-06 3.56E-06 8.76E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 2 145 90.95 131.15 50.03 6.07E-02 20 -2.72E-06 3.18E-06 8.06E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 2 150 91 132.66 46.27 4.27E-02 20 -2.12E-06 2.36E-06 5.35E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 3 0 91 18.9 78.17 1.01E-02 20 2.08E-07 7.29E-08 1.72E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 3 5 91.05 116.24 54.36 3.84E-02 20 -1.05E-06 2.18E-06 5.41E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 3 10 91.1 129.57 51.54 4.87E-02 20 -2.05E-06 2.53E-06 6.61E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 3 15 91.15 131.72 50.14 4.81E-02 20 -2.17E-06 2.49E-06 6.39E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 3 20 91.2 136.36 49.69 4.70E-02 20 -2.33E-06 2.28E-06 6.21E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 3 25 91.25 143.21 49.38 4.98E-02 20 -2.75E-06 2.11E-06 6.55E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 3 30 91.3 146.62 47.77 5.50E-02 20 -3.27E-06 2.20E-06 7.06E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 3 35 91.35 152.5 49.4 5.32E-02 20 -3.26E-06 1.73E-06 7.00E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 3 40 91.4 159.77 52.54 4.71E-02 20 -2.85E-06 1.07E-06 6.48E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 3 45 91.45 162.96 50.58 4.77E-02 20 -3.07E-06 9.62E-07 6.38E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 3 50 91.5 167.28 42.94 5.01E-02 20 -3.80E-06 8.77E-07 5.92E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 3 55 91.55 178.06 41.34 4.19E-02 20 -3.33E-06 1.16E-07 4.79E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 3 60 91.6 171.66 51.04 3.27E-02 20 -2.16E-06 3.23E-07 4.40E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 3 65 91.65 149.04 60.33 3.16E-02 20 -1.42E-06 8.72E-07 4.75E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 3 70 91.7 102.12 65.43 2.78E-02 20 -2.58E-07 1.23E-06 4.39E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 3 75 91.75 83.6 58.14 3.14E-02 20 1.96E-07 1.79E-06 4.63E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 3 80 91.8 101.42 49.09 3.80E-02 20 -5.22E-07 2.64E-06 4.97E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 3 85 91.85 111.07 36.94 4.12E-02 20 -1.25E-06 3.33E-06 4.29E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 3 90 91.9 121.95 42.71 3.13E-02 20 -1.29E-06 2.12E-06 3.68E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 3 95 91.95 137.8 59.23 2.88E-02 20 -1.16E-06 1.07E-06 4.28E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 3 100 92 126.19 69.36 2.91E-02 20 -6.43E-07 8.99E-07 4.73E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 3 105 92.05 114.28 60.36 3.54E-02 20 -7.64E-07 1.73E-06 5.34E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 3 110 92.1 135.26 55.8 3.68E-02 20 -1.56E-06 1.58E-06 5.27E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 3 115 92.15 155.67 50.33 3.70E-02 20 -2.28E-06 1.06E-06 4.94E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 3 120 92.2 156.6 37.74 4.05E-02 20 -3.12E-06 1.38E-06 4.30E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 3 125 92.25 153.41 30.9 4.27E-02 20 -3.48E-06 1.78E-06 3.81E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 3 130 92.3 147.54 33.66 2.47E-02 20 -1.84E-06 1.20E-06 2.37E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 3 135 92.35 139.98 31.76 1.64E-02 20 -1.13E-06 9.71E-07 1.49E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 3 140 92.4 146.05 32.04 9.88E-03 20 -7.37E-07 5.08E-07 9.09E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 3 145 92.45 149.05 22.42 1.14E-02 20 -9.62E-07 5.90E-07 7.56E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 3 150 92.5 147.54 25.1 6.87E-03 20 -5.57E-07 3.62E-07 5.05E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 4 0 92.5 132.8 56.38 3.07E-03 20 -1.22E-07 1.35E-07 4.43E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 4 5 92.55 127 27.18 1.31E-02 20 -7.44E-07 1.01E-06 1.04E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 4 10 92.6 132.78 40.86 1.14E-02 20 -6.23E-07 6.88E-07 1.30E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 4 15 92.65 133.56 52.23 1.09E-02 20 -4.87E-07 5.23E-07 1.49E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 4 20 92.7 128.46 57.09 1.54E-02 20 -5.53E-07 7.12E-07 2.25E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 4 25 92.75 124.61 45.4 2.83E-02 20 -1.20E-06 1.77E-06 3.50E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 4 30 92.8 130.26 39.26 3.77E-02 20 -2.00E-06 2.42E-06 4.13E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 4 35 92.85 134.13 38.91 3.97E-02 20 -2.28E-06 2.41E-06 4.32E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 4 40 92.9 138.93 35.86 4.05E-02 20 -2.62E-06 2.34E-06 4.11E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 4 45 92.95 142.01 37.73 2.89E-02 20 -1.91E-06 1.53E-06 3.06E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 4 50 93 127.12 64.36 1.62E-02 20 -4.48E-07 6.06E-07 2.53E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 4 55 93.05 121.6 53.38 2.83E-02 20 -9.38E-07 1.56E-06 3.94E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 4 60 93.1 126.6 44.56 4.70E-02 20 -2.12E-06 2.92E-06 5.72E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 4 65 93.15 129.41 40.52 5.22E-02 20 -2.67E-06 3.33E-06 5.88E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 4 70 93.2 125.52 40.37 4.24E-02 20 -1.99E-06 2.85E-06 4.76E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 4 75 93.25 116.93 47.32 3.22E-02 20 -1.05E-06 2.11E-06 4.10E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 4 80 93.3 120.29 49.37 2.60E-02 20 -9.06E-07 1.59E-06 3.42E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 4 85 93.35 132.88 45.74 2.81E-02 20 -1.42E-06 1.56E-06 3.49E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 4 90 93.4 125.57 39.65 3.83E-02 20 -1.82E-06 2.60E-06 4.24E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 4 95 93.45 125.23 45.04 3.64E-02 20 -1.57E-06 2.28E-06 4.47E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 4 100 93.5 132.13 47.09 2.76E-02 20 -1.34E-06 1.51E-06 3.50E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 4 105 93.55 141.26 49.3 1.74E-02 20 -9.38E-07 7.70E-07 2.29E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 4 110 93.6 131.77 65.98 1.27E-02 20 -3.66E-07 4.19E-07 2.02E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 4 115 93.65 115.59 50.84 2.60E-02 20 -7.54E-07 1.61E-06 3.50E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 4 120 93.7 122.09 44.36 3.38E-02 20 -1.36E-06 2.22E-06 4.10E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 4 125 93.75 121.13 48.19 2.91E-02 20 -1.06E-06 1.80E-06 3.76E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 4 130 93.8 120.49 48.06 2.99E-02 20 -1.08E-06 1.87E-06 3.85E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 4 135 93.85 127.16 41.44 3.83E-02 20 -1.84E-06 2.48E-06 4.40E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 4 140 93.9 128.46 39.29 3.59E-02 20 -1.83E-06 2.36E-06 3.94E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 4 145 93.95 129.69 55.07 1.92E-02 20 -7.46E-07 9.19E-07 2.73E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 4 150 94 122.9 74.59 8.83E-03 20 -1.35E-07 2.14E-07 1.48E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 5 0 94 354.83 65 2.18E-03 20 9.73E-08 -9.00E-09 3.42E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 5 5 94.05 74.4 52.49 7.63E-03 20 1.32E-07 4.85E-07 1.05E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 5 10 94.1 91.44 57.7 6.50E-03 20 -9.25E-09 3.76E-07 9.52E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 5 15 94.15 98.69 58.9 5.20E-03 20 -4.30E-08 2.88E-07 7.72E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 5 20 94.2 102.87 45.72 7.91E-03 20 -1.30E-07 5.84E-07 9.82E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 5 25 94.25 107.95 29.88 9.11E-03 20 -2.58E-07 8.15E-07 7.87E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 5 30 94.3 103.82 24.59 4.24E-03 20 -9.78E-08 4.06E-07 3.06E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 5 35 94.35 106.27 28.09 2.10E-03 20 -5.52E-08 1.93E-07 1.72E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 5 40 94.4 157.66 51.49 1.15E-03 20 -7.01E-08 2.95E-08 1.56E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 5 45 94.45 284.58 27.88 1.52E-03 20 3.60E-08 -1.41E-07 1.24E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 5 50 94.5 292.16 66.54 2.08E-03 20 3.32E-08 -8.33E-08 3.31E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 5 55 94.55 116.91 36.17 9.54E-03 20 -3.70E-07 7.45E-07 9.76E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 5 60 94.6 124.39 28.12 1.47E-02 20 -7.74E-07 1.16E-06 1.20E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 5 65 94.65 132.57 28.08 1.01E-02 20 -6.42E-07 7.15E-07 8.27E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 5 70 94.7 119.84 14.57 2.82E-02 20 -1.44E-06 2.57E-06 1.23E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 5 75 94.75 118.03 17.74 2.99E-02 20 -1.42E-06 2.73E-06 1.58E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 5 80 94.8 103.61 40.87 1.55E-02 20 -2.92E-07 1.23E-06 1.76E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 5 85 94.85 103.77 38.01 1.92E-02 20 -3.82E-07 1.59E-06 2.05E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 5 90 94.9 107.24 42.8 2.14E-02 20 -4.94E-07 1.63E-06 2.52E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 5 95 94.95 116.13 46.18 2.54E-02 20 -8.20E-07 1.71E-06 3.17E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 5 100 95 123.21 42.77 3.14E-02 20 -1.34E-06 2.09E-06 3.70E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 5 105 95.05 128.02 39.82 3.73E-02 20 -1.87E-06 2.45E-06 4.14E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 5 110 95.1 126.57 46.24 3.23E-02 20 -1.41E-06 1.94E-06 4.04E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 5 115 95.15 116.65 48.56 3.18E-02 20 -1.00E-06 2.04E-06 4.13E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 5 120 95.2 122.36 34.4 4.28E-02 20 -2.00E-06 3.23E-06 4.19E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 5 125 95.25 129.2 28.79 2.79E-02 20 -1.64E-06 2.06E-06 2.33E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 5 130 95.3 258.4 81.81 5.56E-03 20 -1.69E-08 -8.42E-08 9.55E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 5 135 95.35 83.88 59.07 8.74E-03 20 5.08E-08 4.85E-07 1.30E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 5 140 95.4 113.17 37.7 1.65E-02 20 -5.44E-07 1.30E-06 1.75E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 5 145 95.45 125.7 33.7 1.80E-02 20 -9.29E-07 1.32E-06 1.74E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 5 150 95.5 136.81 35.38 1.34E-02 20 -8.48E-07 8.14E-07 1.35E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 6 0 95.5 0.29 74.18 4.00E-03 20 1.16E-07 5.91E-10 6.67E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 6 5 95.55 101.82 46.49 1.60E-02 20 -2.40E-07 1.17E-06 2.02E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 6 10 95.6 117.14 36.57 2.24E-02 20 -8.69E-07 1.73E-06 2.31E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 6 15 95.65 122.1 25.55 2.21E-02 20 -1.13E-06 1.83E-06 1.66E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 6 20 95.7 122.49 19.5 2.05E-02 20 -1.10E-06 1.77E-06 1.19E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 6 25 95.75 125.99 24.12 1.05E-02 20 -5.98E-07 8.42E-07 7.45E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 6 30 95.8 123.2 30.35 5.52E-03 20 -2.77E-07 4.33E-07 4.84E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 6 35 95.85 126.01 24.57 4.06E-03 20 -2.30E-07 3.24E-07 2.93E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 6 40 95.9 158.6 61.31 6.79E-04 20 -3.22E-08 1.29E-08 1.03E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 6 45 95.95 306.4 31.04 5.38E-04 20 2.90E-08 -4.03E-08 4.81E-08 4/1/97 Yes Yes 0 172 1063 C 11 H 6 50 96 6.89 64.81 3.12E-04 20 1.40E-08 1.73E-09 4.89E-08 4/1/97 Yes Yes 0 172 1063 C 11 H 6 55 96.05 85.59 44.4 5.45E-04 20 3.18E-09 4.21E-08 6.61E-08 4/1/97 Yes Yes 0 172 1063 C 11 H 6 60 96.1 104.3 36.36 1.07E-03 20 -2.27E-08 9.09E-08 1.10E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 6 65 96.15 142.04 60.72 1.17E-03 20 -4.81E-08 3.83E-08 1.78E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 6 70 96.2 131.61 82.1 2.27E-03 20 -2.20E-08 2.53E-08 3.90E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 6 75 96.25 118.1 57.91 6.63E-03 20 -1.76E-07 3.37E-07 9.73E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 6 80 96.3 126.52 38.85 1.90E-02 20 -9.35E-07 1.29E-06 2.07E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 6 85 96.35 136.11 39.25 2.41E-02 20 -1.43E-06 1.40E-06 2.64E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 6 90 96.4 135.28 60.88 2.05E-02 20 -7.51E-07 7.60E-07 3.10E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 6 95 96.45 127.33 56.24 2.76E-02 20 -9.85E-07 1.32E-06 3.97E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 6 100 96.5 129.13 43.76 3.29E-02 20 -1.59E-06 2.00E-06 3.94E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 6 105 96.55 127.98 38.77 2.94E-02 20 -1.50E-06 1.96E-06 3.19E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 6 110 96.6 132.7 40.26 2.61E-02 20 -1.43E-06 1.59E-06 2.92E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 6 115 96.65 136.58 39.82 2.32E-02 20 -1.37E-06 1.33E-06 2.58E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 6 120 96.7 127.36 40.78 1.98E-02 20 -9.66E-07 1.29E-06 2.24E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 6 125 96.75 110.94 35.47 2.05E-02 20 -6.32E-07 1.69E-06 2.06E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 6 130 96.8 107.38 28.81 2.44E-02 20 -6.78E-07 2.22E-06 2.04E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 6 135 96.85 113.85 29.57 2.33E-02 20 -8.69E-07 2.01E-06 1.99E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 6 140 96.9 123.65 28.02 2.67E-02 20 -1.38E-06 2.12E-06 2.17E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 6 145 96.95 129.33 36.58 1.87E-02 20 -1.01E-06 1.26E-06 1.93E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 6 150 97 123.41 58.72 8.37E-03 20 -2.54E-07 3.94E-07 1.24E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 7 0 97 49.23 65.26 5.66E-03 20 1.64E-07 1.95E-07 8.92E-07 4/1/97 Yes Yes 0 172 1063 C 11 H 7 5 97.05 105.84 47.67 1.79E-02 20 -3.49E-07 1.26E-06 2.29E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 7 10 97.1 125 53.32 1.50E-02 20 -5.44E-07 7.94E-07 2.08E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 7 15 97.15 129.27 61.41 9.51E-03 20 -3.05E-07 3.82E-07 1.45E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 7 20 97.2 120.79 62.82 8.52E-03 20 -2.11E-07 3.63E-07 1.31E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 7 25 97.25 136.13 63.81 1.05E-02 20 -3.54E-07 3.48E-07 1.63E-06 4/1/97 Yes Yes 0 172 1063 C 11 H 7 30 97.3 136.95 54.15 1.05E-02 20 -4.77E-07 4.55E-07 1.48E-06 4/1/97 Yes Yes 0 172 1063 C 12 H 1 0 97.5 124.33 69.52 1.25E-03 20 -2.62E-08 3.92E-08 2.03E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 5 97.55 250.65 75.42 3.08E-03 20 -2.73E-08 -7.94E-08 5.17E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 10 97.6 340.96 72.4 3.45E-03 20 1.04E-07 -3.69E-08 5.69E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 15 97.65 36.66 49.66 1.84E-03 20 1.01E-07 7.71E-08 2.43E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 20 97.7 19.61 37.55 1.67E-03 20 1.32E-07 4.82E-08 1.76E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 25 97.75 32.58 44.43 2.31E-03 20 1.47E-07 9.63E-08 2.80E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 30 97.8 3.92 53.98 2.98E-03 20 1.85E-07 1.30E-08 4.17E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 35 97.85 12.28 29.25 6.65E-03 20 6.02E-07 1.34E-07 5.63E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 40 97.9 32.16 20.89 1.28E-02 20 1.07E-06 6.90E-07 7.91E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 45 97.95 42.21 26.12 8.32E-03 20 5.87E-07 5.45E-07 6.35E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 50 98 50.72 30.42 5.01E-03 20 2.90E-07 3.63E-07 4.40E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 55 98.05 71.04 48.97 2.06E-03 20 4.65E-08 1.39E-07 2.69E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 60 98.1 235.92 64.95 1.04E-03 20 -2.62E-08 -3.96E-08 1.63E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 65 98.15 356.91 71.98 1.07E-03 20 3.52E-08 -1.94E-09 1.77E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 70 98.2 30.2 43.81 2.21E-03 20 1.46E-07 8.69E-08 2.65E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 75 98.25 30.93 32.65 4.59E-03 20 3.51E-07 2.15E-07 4.29E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 80 98.3 29.27 32.8 6.25E-03 20 4.86E-07 2.79E-07 5.87E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 85 98.35 26 39.79 5.00E-03 20 3.66E-07 1.83E-07 5.54E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 90 98.4 35.01 33.48 4.29E-03 20 3.11E-07 2.23E-07 4.11E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 95 98.45 43.09 25.45 5.71E-03 20 3.99E-07 3.82E-07 4.25E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 100 98.5 53.05 37.75 2.54E-03 20 1.28E-07 1.74E-07 2.70E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 105 98.55 66.79 68.99 9.63E-04 20 1.44E-08 3.44E-08 1.56E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 110 98.6 40.55 68.46 8.04E-04 20 2.38E-08 2.08E-08 1.30E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 115 98.65 32.39 52.42 1.04E-03 20 5.68E-08 3.68E-08 1.43E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 120 98.7 40.49 44.87 1.47E-03 20 8.39E-08 7.32E-08 1.80E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 125 98.75 27.1 46.05 2.09E-03 20 1.37E-07 7.17E-08 2.61E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 130 98.8 20.24 34.01 4.82E-03 20 3.98E-07 1.50E-07 4.68E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 135 98.85 21.27 36.52 5.53E-03 20 4.39E-07 1.75E-07 5.70E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 140 98.9 23.82 44.56 4.54E-03 20 3.14E-07 1.42E-07 5.52E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 145 98.95 25.58 44.76 4.90E-03 20 3.33E-07 1.63E-07 5.98E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 1 150 99 37 44.4 4.58E-03 20 2.77E-07 2.14E-07 5.56E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 2 0 99 338.51 36.92 1.88E-03 20 1.49E-07 -5.99E-08 1.96E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 2 5 99.05 19.9 35.43 6.94E-03 20 5.64E-07 2.09E-07 6.97E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 2 10 99.1 32.62 36.68 7.08E-03 20 5.07E-07 3.32E-07 7.33E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 2 15 99.15 31.25 34.76 7.08E-03 20 5.27E-07 3.27E-07 7.00E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 2 20 99.2 35.15 23.96 1.36E-02 20 1.07E-06 7.73E-07 9.54E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 2 25 99.25 38.25 26.87 1.17E-02 20 8.68E-07 6.99E-07 9.15E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 2 30 99.3 25.44 46.16 6.48E-03 20 4.30E-07 2.09E-07 8.10E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 2 35 99.35 33.67 46.59 6.85E-03 20 4.16E-07 2.83E-07 8.63E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 2 40 99.4 36.96 44.16 8.49E-03 20 5.16E-07 3.97E-07 1.02E-06 4/1/97 Yes Yes 0 172 1063 C 12 H 2 45 99.45 37 50.05 6.04E-03 20 3.29E-07 2.53E-07 8.03E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 2 50 99.5 31.93 54.4 3.61E-03 20 1.89E-07 1.20E-07 5.08E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 2 55 99.55 19.07 44.83 3.29E-03 20 2.34E-07 8.27E-08 4.02E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 2 60 99.6 27.67 36.39 4.84E-03 20 3.66E-07 1.96E-07 4.98E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 2 65 99.65 32.19 41.95 5.40E-03 20 3.61E-07 2.32E-07 6.26E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 2 70 99.7 31.95 44.38 5.30E-03 20 3.41E-07 2.18E-07 6.43E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 2 75 99.75 33.91 44.03 5.34E-03 20 3.38E-07 2.32E-07 6.43E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 2 80 99.8 38.17 53.19 4.12E-03 20 2.06E-07 1.65E-07 5.72E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 2 85 99.85 41.22 52.84 3.78E-03 20 1.82E-07 1.63E-07 5.22E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 2 90 99.9 31.22 48.77 4.24E-03 20 2.53E-07 1.57E-07 5.53E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 2 95 99.95 19.26 44.73 4.95E-03 20 3.52E-07 1.26E-07 6.04E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 2 100 100 24.63 33.59 6.56E-03 20 5.27E-07 2.47E-07 6.29E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 2 105 100.05 33.7 37.24 4.56E-03 20 3.20E-07 2.18E-07 4.78E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 2 110 100.1 65.19 67.41 1.39E-03 20 2.38E-08 5.27E-08 2.23E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 2 115 100.15 353.52 64.84 6.80E-04 20 3.04E-08 -3.54E-09 1.07E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 2 120 100.2 29.99 21.88 1.87E-03 20 1.59E-07 9.40E-08 1.21E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 2 125 100.25 43.53 43.99 6.57E-04 20 3.64E-08 3.53E-08 7.92E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 2 130 100.3 223.77 75.39 2.69E-04 20 -5.21E-09 -5.10E-09 4.52E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 2 135 100.35 35.86 70.55 2.36E-04 20 6.75E-09 4.99E-09 3.86E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 2 140 100.4 29.41 44.71 3.24E-04 20 2.13E-08 1.23E-08 3.95E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 2 145 100.45 33.33 39.8 4.01E-04 20 2.73E-08 1.84E-08 4.45E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 2 150 100.5 41.71 46.03 2.43E-04 20 1.33E-08 1.22E-08 3.03E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 3 0 100.5 65.85 55.62 2.63E-05 20 6.44E-10 1.47E-09 3.76E-09 4/1/97 Yes Yes 0 172 1063 C 12 H 3 5 100.55 26.34 40.52 1.76E-04 20 1.27E-08 6.43E-09 1.98E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 3 10 100.6 0.07 41.28 2.71E-04 20 2.16E-08 2.70E-11 3.10E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 3 15 100.65 17.76 36.64 4.43E-04 20 3.59E-08 1.18E-08 4.59E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 3 20 100.7 22.5 42.99 4.72E-04 20 3.38E-08 1.43E-08 5.57E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 3 25 100.75 28.16 45.1 5.07E-04 20 3.35E-08 1.83E-08 6.22E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 3 30 100.8 33.04 46.27 4.77E-04 20 2.93E-08 1.95E-08 5.97E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 3 35 100.85 28.07 47.94 5.31E-04 20 3.33E-08 1.81E-08 6.83E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 3 40 100.9 28.87 49.45 5.66E-04 20 3.42E-08 1.93E-08 7.46E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 3 45 100.95 25.48 51.82 5.42E-04 20 3.21E-08 1.56E-08 7.38E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 3 50 101 28.74 57.94 5.17E-04 20 2.55E-08 1.43E-08 7.59E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 3 55 101.05 8.85 71.57 5.49E-04 20 1.82E-08 2.90E-09 9.03E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 3 60 101.1 12.74 51.5 1.06E-03 20 6.80E-08 1.57E-08 1.43E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 3 65 101.15 29.16 26.52 3.42E-03 20 2.84E-07 1.62E-07 2.65E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 3 70 101.2 36.86 26.19 4.38E-03 20 3.34E-07 2.56E-07 3.35E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 3 75 101.25 41.95 41.82 1.96E-03 20 1.15E-07 1.06E-07 2.26E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 3 80 101.3 194.46 81.98 6.08E-04 20 -8.70E-09 -2.30E-09 1.04E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 3 85 101.35 281.42 77.47 4.24E-04 20 1.93E-09 -9.78E-09 7.18E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 3 90 101.4 18.01 36.55 1.35E-03 20 1.10E-07 3.65E-08 1.40E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 3 95 101.45 28.81 43.92 1.33E-03 20 8.93E-08 5.03E-08 1.61E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 3 100 101.5 29.91 43.78 8.26E-04 20 5.48E-08 3.22E-08 9.90E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 3 105 101.55 28.35 30.21 9.79E-04 20 7.90E-08 4.36E-08 8.55E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 3 110 101.6 23.37 33.53 7.54E-04 20 6.12E-08 2.70E-08 7.22E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 3 115 101.65 23.6 41.63 5.54E-04 20 4.02E-08 1.80E-08 6.38E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 3 120 101.7 27.76 43.95 5.84E-04 20 3.94E-08 2.12E-08 7.02E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 3 125 101.75 30.49 43.86 6.92E-04 20 4.56E-08 2.75E-08 8.32E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 3 130 101.8 37.91 39.35 6.73E-04 20 4.35E-08 3.47E-08 7.40E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 3 135 101.85 32.59 36.72 7.34E-04 20 5.26E-08 3.44E-08 7.61E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 3 140 101.9 30.2 38.23 7.38E-04 20 5.31E-08 3.16E-08 7.92E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 3 145 101.95 25.7 41.57 5.54E-04 20 3.96E-08 1.95E-08 6.38E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 3 150 102 27.49 62.46 2.38E-04 20 1.04E-08 5.51E-09 3.66E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 4 0 102 206.91 75.14 4.49E-05 20 -1.09E-09 -5.66E-10 7.53E-09 4/1/97 Yes Yes 0 172 1063 C 12 H 4 5 102.05 25.07 76 1.57E-04 20 3.66E-09 1.75E-09 2.65E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 4 10 102.1 18.35 51.73 4.62E-04 20 2.88E-08 9.77E-09 6.29E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 4 15 102.15 28.09 42.1 9.67E-04 20 6.71E-08 3.66E-08 1.12E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 4 20 102.2 33.08 43.79 1.02E-03 20 6.55E-08 4.37E-08 1.23E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 4 25 102.25 42.1 47.23 7.53E-04 20 4.03E-08 3.72E-08 9.59E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 4 30 102.3 33.46 45.85 6.89E-04 20 4.24E-08 2.87E-08 8.57E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 4 35 102.35 35.58 41.67 6.22E-04 20 4.01E-08 2.93E-08 7.17E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 4 40 102.4 28.25 40.26 5.41E-04 20 3.86E-08 2.12E-08 6.07E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 4 45 102.45 23.59 37.28 5.34E-04 20 4.13E-08 1.85E-08 5.61E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 4 50 102.5 22.77 39.69 4.48E-04 20 3.37E-08 1.45E-08 4.96E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 4 55 102.55 31.19 44.96 2.66E-04 20 1.71E-08 1.06E-08 3.26E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 4 60 102.6 38.18 60.17 1.40E-04 20 5.80E-09 4.66E-09 2.10E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 4 65 102.65 29.33 69.27 9.53E-05 20 3.12E-09 1.79E-09 1.55E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 4 70 102.7 28.65 54.6 9.63E-05 20 5.19E-09 2.90E-09 1.36E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 4 75 102.75 35.84 48.15 1.19E-04 20 6.81E-09 5.03E-09 1.53E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 4 80 102.8 28.16 49.65 1.28E-04 20 7.72E-09 4.23E-09 1.68E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 4 85 102.85 17.07 50.32 1.61E-04 20 1.04E-08 3.28E-09 2.15E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 4 90 102.9 17.63 55.56 1.77E-04 20 1.01E-08 3.29E-09 2.53E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 4 95 102.95 39.31 46.65 1.78E-04 20 1.01E-08 8.41E-09 2.25E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 4 100 103 15.14 39.26 1.57E-04 20 1.25E-08 3.45E-09 1.72E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 4 105 103.05 28.26 43.02 1.51E-04 20 1.03E-08 5.69E-09 1.79E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 4 110 103.1 0.76 54.92 1.30E-04 20 7.94E-09 1.08E-10 1.85E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 4 115 103.15 75.8 82.76 1.09E-04 20 3.57E-10 1.44E-09 1.87E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 4 120 103.2 76.34 70.23 1.11E-04 20 9.40E-10 3.96E-09 1.81E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 4 125 103.25 356.97 72.36 1.54E-04 20 4.93E-09 -2.67E-10 2.54E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 4 130 103.3 21.72 37.54 5.02E-04 20 3.92E-08 1.60E-08 5.30E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 4 135 103.35 28.76 33.4 1.09E-03 20 8.45E-08 4.74E-08 1.04E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 4 140 103.4 31.4 41.05 8.65E-04 20 5.91E-08 3.69E-08 9.85E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 4 145 103.45 27.12 31.22 7.95E-04 20 6.42E-08 3.36E-08 7.15E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 4 150 103.5 32.16 29.07 5.52E-04 20 4.33E-08 2.78E-08 4.65E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 5 0 103.5 19.9 37.05 7.58E-05 20 6.04E-09 2.23E-09 7.92E-09 4/1/97 Yes Yes 0 172 1063 C 12 H 5 5 103.55 7.68 15.33 5.14E-04 20 5.21E-08 7.19E-09 2.36E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 5 10 103.6 355.71 15.29 5.99E-04 20 6.12E-08 -4.70E-09 2.74E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 5 15 103.65 352.54 17.02 5.39E-04 20 5.42E-08 -7.26E-09 2.74E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 5 20 103.7 13.19 12.05 5.89E-04 20 5.95E-08 1.43E-08 2.13E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 5 25 103.75 23.21 8.71 5.37E-04 20 5.18E-08 2.27E-08 1.41E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 5 30 103.8 24.76 12.76 4.15E-04 20 3.90E-08 1.84E-08 1.59E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 5 35 103.85 16.89 11.27 4.82E-04 20 4.80E-08 1.49E-08 1.63E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 5 40 103.9 13.81 14.44 4.88E-04 20 4.87E-08 1.22E-08 2.11E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 5 45 103.95 22.46 27.88 3.49E-04 20 3.02E-08 1.28E-08 2.83E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 5 50 104 27.77 41.83 2.77E-04 20 1.94E-08 1.04E-08 3.20E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 5 55 104.05 35.04 50.57 2.52E-04 20 1.39E-08 9.96E-09 3.37E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 5 60 104.1 15.49 52.35 2.89E-04 20 1.81E-08 5.12E-09 3.97E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 5 65 104.15 10.22 53.49 3.31E-04 20 2.05E-08 3.79E-09 4.61E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 5 70 104.2 1.41 56.37 3.73E-04 20 2.19E-08 5.51E-10 5.38E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 5 75 104.25 359.69 56 3.91E-04 20 2.32E-08 -1.28E-10 5.63E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 5 80 104.3 348.72 61.49 3.11E-04 20 1.54E-08 -3.15E-09 4.74E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 5 85 104.35 303.88 57.73 2.96E-04 20 9.35E-09 -1.42E-08 4.34E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 5 90 104.4 336.55 68.44 3.04E-04 20 1.09E-08 -4.82E-09 4.90E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 5 95 104.45 345.66 32.87 7.00E-04 20 6.04E-08 -1.58E-08 6.59E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 5 100 104.5 2.73 23.32 1.52E-03 20 1.48E-07 7.23E-09 1.05E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 5 105 104.55 24.98 30.11 1.16E-03 20 9.67E-08 4.61E-08 1.01E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 5 110 104.6 44.24 37.1 1.26E-03 20 7.66E-08 7.62E-08 1.32E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 5 115 104.65 56.11 34.38 1.02E-03 20 4.97E-08 7.57E-08 9.97E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 5 120 104.7 52.57 32.86 7.82E-04 20 4.24E-08 5.66E-08 7.36E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 5 125 104.75 43.75 41.04 4.58E-04 20 2.65E-08 2.59E-08 5.22E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 5 130 104.8 42.51 43.64 4.14E-04 20 2.34E-08 2.20E-08 4.96E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 5 135 104.85 41.17 45.97 4.58E-04 20 2.54E-08 2.27E-08 5.71E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 5 140 104.9 24.92 51.27 6.14E-04 20 3.70E-08 1.76E-08 8.31E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 5 145 104.95 13.41 49.4 6.27E-04 20 4.21E-08 1.03E-08 8.25E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 5 150 105 7.93 46.5 4.91E-04 20 3.55E-08 5.05E-09 6.17E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 6 0 105 13.07 67.1 3.35E-04 20 1.35E-08 3.19E-09 5.34E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 6 5 105.05 355.64 40.29 2.11E-03 20 1.70E-07 -1.33E-08 2.37E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 6 10 105.1 357.84 50.06 1.84E-03 20 1.25E-07 -4.81E-09 2.44E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 6 15 105.15 8.45 60.83 6.39E-04 20 3.27E-08 4.97E-09 9.68E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 6 20 105.2 10.43 49.89 3.75E-04 20 2.52E-08 4.74E-09 4.97E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 6 25 105.25 20.42 38.92 3.31E-04 20 2.56E-08 9.75E-09 3.61E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 6 30 105.3 24.62 42.68 2.14E-04 20 1.52E-08 7.12E-09 2.52E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 6 35 105.35 20.38 39.57 2.04E-04 20 1.57E-08 5.94E-09 2.25E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 6 40 105.4 23.08 36.02 2.22E-04 20 1.75E-08 7.64E-09 2.27E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 6 45 105.45 11.54 38.24 1.63E-04 20 1.33E-08 2.77E-09 1.75E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 6 50 105.5 18.3 44.66 1.28E-04 20 9.15E-09 3.09E-09 1.56E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 6 55 105.55 45.18 53.54 1.14E-04 20 5.05E-09 5.19E-09 1.58E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 6 60 105.6 166.66 44.2 9.40E-05 20 -6.95E-09 1.69E-09 1.14E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 6 65 105.65 39.43 -4.6 1.73E-04 20 1.41E-08 1.19E-08 -2.41E-09 4/1/97 Yes Yes 0 172 1063 C 12 H 6 70 105.7 21.79 -1.41 9.47E-04 20 9.32E-08 3.81E-08 -4.04E-09 4/1/97 Yes Yes 0 172 1063 C 12 H 6 75 105.75 7.11 3.28 1.79E-03 20 1.88E-07 2.40E-08 1.78E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 6 80 105.8 351.67 9.73 1.70E-03 20 1.76E-07 -2.63E-08 4.98E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 6 85 105.85 1.86 11.18 1.06E-03 20 1.10E-07 3.65E-09 3.55E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 6 90 105.9 45.56 12.02 1.19E-03 20 8.61E-08 8.97E-08 4.28E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 6 95 105.95 56.55 28.78 1.18E-03 20 6.05E-08 9.36E-08 9.85E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 6 100 106 21.9 50.17 1.42E-03 20 8.98E-08 3.69E-08 1.90E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 6 105 106.05 352.02 40.05 2.58E-03 20 2.07E-07 -2.97E-08 2.88E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 6 110 106.1 8.11 31.65 3.74E-03 20 3.35E-07 4.88E-08 3.41E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 6 115 106.15 14.42 34.17 2.47E-03 20 2.10E-07 5.51E-08 2.40E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 6 120 106.2 17.1 48.07 1.06E-03 20 7.19E-08 2.26E-08 1.37E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 6 125 106.25 8.44 71.79 4.01E-04 20 1.31E-08 1.99E-09 6.60E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 6 130 106.3 7.8 60.78 3.30E-04 20 1.70E-08 2.37E-09 5.00E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 6 135 106.35 15.05 45.48 4.94E-04 20 3.55E-08 9.76E-09 6.11E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 6 140 106.4 15.49 33.38 1.16E-03 20 9.93E-08 2.81E-08 1.11E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 6 145 106.45 9.34 31 1.76E-03 20 1.58E-07 2.65E-08 1.57E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 6 150 106.5 4.84 33.17 1.56E-03 20 1.38E-07 1.20E-08 1.48E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 7 0 106.5 239.32 67.41 1.79E-04 20 -3.72E-09 -6.41E-09 2.87E-08 4/1/97 Yes Yes 0 172 1063 C 12 H 7 5 106.55 9.73 31.15 1.22E-03 20 1.09E-07 1.92E-08 1.10E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 7 10 106.6 17.73 25.71 2.17E-03 20 1.98E-07 6.46E-08 1.63E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 7 15 106.65 24.83 18.79 3.44E-03 20 3.13E-07 1.48E-07 1.92E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 7 20 106.7 31.09 24.42 2.28E-03 20 1.88E-07 1.16E-07 1.63E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 7 25 106.75 17.72 33.62 1.58E-03 20 1.33E-07 4.34E-08 1.52E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 7 30 106.8 16.15 36.89 2.43E-03 20 1.98E-07 5.87E-08 2.53E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 7 35 106.85 24.75 45.36 2.31E-03 20 1.56E-07 7.37E-08 2.85E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 7 40 106.9 26.45 37.09 3.52E-03 20 2.66E-07 1.36E-07 3.68E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 7 45 106.95 23.16 38.33 3.95E-03 20 3.02E-07 1.32E-07 4.25E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 7 50 107 15.99 41.7 3.07E-03 20 2.34E-07 6.85E-08 3.54E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 7 55 107.05 12.13 35.23 3.51E-03 20 2.97E-07 6.53E-08 3.51E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 7 60 107.1 16.9 32.97 4.68E-03 20 3.99E-07 1.24E-07 4.42E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 7 65 107.15 16.01 43.02 5.18E-03 20 3.86E-07 1.13E-07 6.13E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 7 70 107.2 21.56 54.05 4.45E-03 20 2.57E-07 1.04E-07 6.24E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 7 75 107.25 21.87 48.13 5.02E-03 20 3.30E-07 1.35E-07 6.49E-07 4/1/97 Yes Yes 0 172 1063 C 12 H 7 80 107.3 8.96 41.95 4.91E-03 20 3.82E-07 6.16E-08 5.68E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 1 0 107 39.29 35.77 5.20E-04 20 3.46E-08 2.90E-08 5.27E-08 4/1/97 Yes Yes 0 172 1063 C 13 H 1 5 107.05 323.12 78.18 9.57E-04 20 1.66E-08 -1.28E-08 1.62E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 1 10 107.1 54.59 62.48 1.10E-03 20 3.13E-08 4.50E-08 1.69E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 1 15 107.15 44.45 45.19 1.10E-03 20 5.87E-08 5.89E-08 1.35E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 1 20 107.2 302 32.36 2.48E-03 20 1.18E-07 -1.93E-07 2.30E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 1 25 107.25 287.13 25.96 5.12E-03 20 1.44E-07 -4.77E-07 3.89E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 1 30 107.3 268.59 32.64 3.63E-03 20 -7.96E-09 -3.31E-07 3.39E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 1 35 107.35 289.36 58.13 2.71E-03 20 5.02E-08 -1.46E-07 3.98E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 1 40 107.4 5.44 40.72 8.59E-03 20 6.88E-07 6.70E-08 9.72E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 1 45 107.45 0.07 38.62 1.87E-02 20 1.55E-06 1.95E-09 2.02E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 1 50 107.5 2.23 39.73 2.49E-02 20 2.03E-06 8.07E-08 2.76E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 1 55 107.55 10.73 40.76 1.99E-02 20 1.57E-06 3.05E-07 2.25E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 1 60 107.6 18.4 53.35 1.06E-02 20 6.36E-07 2.16E-07 1.47E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 1 65 107.65 187.16 81.8 4.02E-03 20 -6.04E-08 -7.76E-09 6.90E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 1 70 107.7 158.88 48.78 2.18E-03 20 -1.42E-07 5.62E-08 2.85E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 1 75 107.75 311 66.36 3.47E-03 20 9.67E-08 -1.14E-07 5.50E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 1 80 107.8 297.39 49.87 1.13E-02 20 3.55E-07 -7.01E-07 1.50E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 1 85 107.85 293.79 51.44 1.56E-02 20 4.16E-07 -9.66E-07 2.12E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 1 90 107.9 297.55 46.85 2.33E-02 20 7.81E-07 -1.53E-06 2.95E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 1 95 107.95 292.05 43.65 3.36E-02 20 9.68E-07 -2.44E-06 4.02E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 1 100 108 283.68 45.27 3.83E-02 20 6.76E-07 -2.84E-06 4.72E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 1 105 108.05 284.39 51.42 3.95E-02 20 6.50E-07 -2.59E-06 5.36E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 1 110 108.1 275.58 53.6 3.87E-02 20 2.37E-07 -2.48E-06 5.40E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 1 115 108.15 259.46 59.58 2.68E-02 20 -2.63E-07 -1.45E-06 4.00E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 1 120 108.2 254.69 74.74 1.64E-02 20 -1.21E-07 -4.51E-07 2.74E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 1 125 108.25 260.09 85.96 1.52E-02 20 -1.95E-08 -1.14E-07 2.62E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 1 130 108.3 200.08 84.27 1.55E-02 20 -1.54E-07 -5.77E-08 2.68E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 1 135 108.35 228.64 82.92 1.46E-02 20 -1.26E-07 -1.46E-07 2.51E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 1 140 108.4 204.18 75.32 1.30E-02 20 -3.19E-07 -1.46E-07 2.18E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 1 145 108.45 191.1 66.68 9.01E-03 20 -3.71E-07 -7.45E-08 1.43E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 2 0 108.5 194.45 75.11 1.77E-03 20 -4.68E-08 -1.23E-08 2.97E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 5 108.55 184.76 47.32 5.45E-03 20 -3.91E-07 -3.32E-08 6.95E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 10 108.6 188.87 49.54 3.39E-03 20 -2.31E-07 -3.68E-08 4.47E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 15 108.65 178.91 41.55 4.40E-03 20 -3.49E-07 6.77E-09 5.06E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 20 108.7 164.55 51.06 2.56E-03 20 -1.65E-07 4.65E-08 3.45E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 25 108.75 67.55 56.08 2.25E-03 20 5.08E-08 1.26E-07 3.23E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 30 108.8 79.61 42.59 4.21E-03 20 5.93E-08 3.31E-07 4.94E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 35 108.85 81.09 36.98 5.43E-03 20 7.13E-08 4.65E-07 5.67E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 40 108.9 79.91 51.22 3.53E-03 20 4.11E-08 2.36E-07 4.77E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 45 108.95 62.2 71.01 2.25E-03 20 3.62E-08 7.01E-08 3.68E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 50 109 50.24 70.96 2.40E-03 20 5.30E-08 6.52E-08 3.93E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 55 109.05 62.19 50.26 3.02E-03 20 9.54E-08 1.85E-07 4.02E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 60 109.1 72.15 39.44 2.76E-03 20 6.92E-08 2.20E-07 3.04E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 65 109.15 77.46 37.38 1.90E-03 20 3.47E-08 1.60E-07 2.00E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 70 109.2 79.42 31.41 1.35E-03 20 2.24E-08 1.23E-07 1.22E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 75 109.25 96.77 50.02 9.96E-04 20 -8.00E-09 6.89E-08 1.32E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 80 109.3 79.98 51.15 1.13E-03 20 1.31E-08 7.57E-08 1.52E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 85 109.35 24.5 66.32 1.22E-03 20 4.73E-08 2.20E-08 1.94E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 90 109.4 41.2 53.29 1.38E-03 20 6.57E-08 5.88E-08 1.91E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 95 109.45 61.62 30.56 1.78E-03 20 7.72E-08 1.46E-07 1.57E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 100 109.5 84.72 25.52 2.11E-03 20 1.86E-08 2.06E-07 1.58E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 105 109.55 104.05 26.56 1.87E-03 20 -4.30E-08 1.76E-07 1.45E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 110 109.6 139.19 60.51 9.29E-04 20 -3.67E-08 3.24E-08 1.40E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 115 109.65 36.38 80.72 9.12E-04 20 1.26E-08 9.46E-09 1.56E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 120 109.7 44.53 60.8 1.37E-03 20 5.05E-08 5.08E-08 2.07E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 125 109.75 35.96 66.84 1.34E-03 20 4.54E-08 3.37E-08 2.14E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 130 109.8 87.27 70.21 1.00E-03 20 1.71E-09 3.67E-08 1.63E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 135 109.85 63.12 82.66 6.94E-04 20 4.25E-09 8.58E-09 1.19E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 140 109.9 351.95 65.14 9.24E-04 20 4.08E-08 -5.90E-09 1.45E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 145 109.95 341.64 61.71 1.03E-03 20 4.93E-08 -1.67E-08 1.58E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 2 150 110 321.81 66.24 8.45E-04 20 2.84E-08 -2.28E-08 1.34E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 3 0 110 8.19 56.79 2.59E-04 20 1.49E-08 2.19E-09 3.76E-08 4/1/97 Yes Yes 0 172 1063 C 13 H 3 5 110.05 320.68 60.47 8.19E-04 20 3.31E-08 -2.77E-08 1.23E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 3 10 110.1 306.07 72.49 9.45E-04 20 1.78E-08 -2.49E-08 1.56E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 3 15 110.15 279.75 54.92 1.71E-03 20 1.77E-08 -1.05E-07 2.43E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 3 20 110.2 255.42 47.09 2.27E-03 20 -4.13E-08 -1.62E-07 2.88E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 3 25 110.25 244.4 79.51 1.31E-03 20 -1.09E-08 -2.33E-08 2.23E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 3 30 110.3 117.78 78.54 1.12E-03 20 -1.10E-08 2.13E-08 1.90E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 3 35 110.35 251.94 52.48 1.81E-03 20 -3.62E-08 -1.14E-07 2.49E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 3 40 110.4 284.95 46.8 3.25E-03 20 6.09E-08 -2.33E-07 4.11E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 3 45 110.45 295.17 51.56 5.60E-03 20 1.57E-07 -3.42E-07 7.61E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 3 50 110.5 280.21 59.07 6.56E-03 20 6.34E-08 -3.60E-07 9.75E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 3 55 110.55 269.34 67.16 6.24E-03 20 -2.98E-09 -2.63E-07 9.98E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 3 60 110.6 272.65 73.51 7.43E-03 20 1.04E-08 -2.28E-07 1.23E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 3 65 110.65 273.33 57.37 7.35E-03 20 2.44E-08 -4.29E-07 1.07E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 3 70 110.7 274.24 39.7 7.28E-03 20 4.39E-08 -6.06E-07 8.06E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 4 0 110.7 42.26 59.32 3.31E-03 20 1.33E-07 1.23E-07 4.93E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 4 5 110.75 50.87 29.66 2.01E-02 20 1.17E-06 1.47E-06 1.73E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 4 10 110.8 53.72 34.5 2.66E-02 20 1.37E-06 1.91E-06 2.61E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 4 15 110.85 60.49 38.33 2.42E-02 20 9.91E-07 1.79E-06 2.60E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 4 20 110.9 66.85 39.42 2.31E-02 20 7.45E-07 1.78E-06 2.54E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 4 25 110.95 72 43.48 1.73E-02 20 4.11E-07 1.29E-06 2.06E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 4 30 111 65.57 53.49 1.38E-02 20 3.60E-07 8.10E-07 1.92E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 4 35 111.05 57.98 49.43 1.66E-02 20 6.09E-07 9.96E-07 2.19E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 4 40 111.1 52.72 17.42 6.05E-02 20 3.71E-06 4.98E-06 3.14E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 4 45 111.15 40.89 16.32 3.98E-02 20 3.06E-06 2.71E-06 1.94E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 4 50 111.2 41.24 56.34 1.12E-02 20 4.93E-07 4.42E-07 1.61E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 4 55 111.25 55.15 43.82 9.55E-03 20 4.18E-07 6.13E-07 1.15E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 4 60 111.3 61.44 44.14 6.06E-03 20 2.21E-07 4.14E-07 7.32E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 4 65 111.35 44.75 48.67 4.15E-03 20 2.06E-07 2.09E-07 5.40E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 4 70 111.4 41.93 44.78 4.59E-03 20 2.57E-07 2.36E-07 5.61E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 4 75 111.45 55.04 37.11 5.06E-03 20 2.45E-07 3.59E-07 5.30E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 4 80 111.5 59.03 40.19 5.13E-03 20 2.14E-07 3.64E-07 5.74E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 4 85 111.55 65.68 50.81 3.87E-03 20 1.07E-07 2.42E-07 5.20E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 4 90 111.6 72.33 48.75 3.33E-03 20 7.07E-08 2.27E-07 4.34E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 4 95 111.65 45.81 44.19 3.27E-03 20 1.73E-07 1.82E-07 3.95E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 4 100 111.7 17.71 44.52 3.72E-03 20 2.68E-07 8.74E-08 4.52E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 4 105 111.75 27.48 23.81 5.60E-03 20 4.82E-07 2.56E-07 3.92E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 4 110 111.8 23.7 20.91 8.28E-03 20 7.51E-07 3.37E-07 5.12E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 4 115 111.85 54.9 52.32 5.62E-03 20 2.10E-07 3.05E-07 7.71E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 4 120 111.9 69.9 47.03 4.68E-03 20 1.16E-07 3.25E-07 5.94E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 4 125 111.95 37.49 40.33 4.94E-03 20 3.17E-07 2.49E-07 5.55E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 4 130 112 38.14 36.49 4.98E-03 20 3.34E-07 2.68E-07 5.13E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 4 135 112.05 54.42 42.62 4.23E-03 20 1.92E-07 2.75E-07 4.97E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 4 140 112.1 47.97 53.57 3.01E-03 20 1.27E-07 1.44E-07 4.19E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 4 145 112.15 30.98 37.01 4.59E-03 20 3.33E-07 2.05E-07 4.79E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 5 0 112.2 309.44 54.94 3.24E-04 20 1.25E-08 -1.56E-08 4.60E-08 4/1/97 Yes Yes 0 172 1063 C 13 H 5 5 112.25 51.17 40.73 1.50E-03 20 7.58E-08 9.63E-08 1.70E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 5 10 112.3 95 70.89 1.44E-03 20 -4.36E-09 5.09E-08 2.36E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 5 15 112.35 22.09 67.45 2.98E-03 20 1.12E-07 4.66E-08 4.77E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 5 20 112.4 43.26 33.94 1.21E-02 20 7.74E-07 7.45E-07 1.17E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 5 25 112.45 48.33 27.49 1.87E-02 20 1.17E-06 1.35E-06 1.50E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 5 30 112.5 54.79 28.27 1.43E-02 20 7.70E-07 1.12E-06 1.17E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 5 35 112.55 64.74 39.25 5.76E-03 20 2.02E-07 4.38E-07 6.32E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 5 40 112.6 64.39 32.14 6.58E-03 20 2.55E-07 5.45E-07 6.06E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 5 45 112.65 64.74 28.98 6.68E-03 20 2.65E-07 5.73E-07 5.61E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 5 50 112.7 61.46 29.04 5.88E-03 20 2.61E-07 4.90E-07 4.95E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 5 55 112.75 55.75 22.69 1.07E-02 20 5.91E-07 8.87E-07 7.17E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 5 60 112.8 52.36 26.52 1.41E-02 20 8.15E-07 1.08E-06 1.09E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 5 65 112.85 46.36 27.58 1.76E-02 20 1.14E-06 1.22E-06 1.41E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 5 70 112.9 47.9 22.57 1.80E-02 20 1.19E-06 1.34E-06 1.20E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 5 75 112.95 49.85 16.49 1.73E-02 20 1.14E-06 1.38E-06 8.52E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 5 80 113 52 15.36 1.75E-02 20 1.10E-06 1.44E-06 8.03E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 5 85 113.05 54.07 19.16 1.26E-02 20 7.42E-07 1.05E-06 7.18E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 5 90 113.1 54.69 24.09 1.11E-02 20 6.22E-07 8.99E-07 7.87E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 5 95 113.15 60.53 26.25 1.13E-02 20 5.27E-07 9.53E-07 8.63E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 5 100 113.2 65.86 20.2 1.36E-02 20 5.54E-07 1.26E-06 8.15E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 5 105 113.25 66.29 20.27 1.98E-02 20 7.93E-07 1.85E-06 1.19E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 5 110 113.3 65.69 29.38 1.91E-02 20 7.25E-07 1.64E-06 1.62E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 5 115 113.35 65.04 28.13 2.72E-02 20 1.07E-06 2.36E-06 2.22E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 5 120 113.4 64.05 25.54 3.12E-02 20 1.31E-06 2.74E-06 2.33E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 5 125 113.45 58.58 24.88 2.99E-02 20 1.50E-06 2.51E-06 2.18E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 5 130 113.5 55.45 26.02 2.78E-02 20 1.50E-06 2.23E-06 2.12E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 5 135 113.55 50.76 28.54 2.49E-02 20 1.47E-06 1.83E-06 2.06E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 5 140 113.6 48.08 28.4 2.24E-02 20 1.40E-06 1.59E-06 1.85E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 5 145 113.65 44.84 22.71 2.58E-02 20 1.79E-06 1.82E-06 1.73E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 5 150 113.7 45.34 20.47 2.73E-02 20 1.90E-06 1.97E-06 1.65E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 6 0 113.7 1.7 36.97 3.47E-03 20 2.94E-07 8.95E-09 3.62E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 6 5 113.75 40.99 20.82 1.91E-02 20 1.43E-06 1.27E-06 1.18E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 6 10 113.8 42.84 23.38 2.32E-02 20 1.65E-06 1.57E-06 1.59E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 6 15 113.85 44.64 25.88 2.44E-02 20 1.66E-06 1.67E-06 1.84E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 6 20 113.9 46.28 28.02 2.53E-02 20 1.64E-06 1.75E-06 2.06E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 6 25 113.95 49.97 28.37 2.84E-02 20 1.71E-06 2.08E-06 2.34E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 6 30 114 48.14 32.26 2.83E-02 20 1.69E-06 1.93E-06 2.62E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 6 35 114.05 47.17 38.97 2.36E-02 20 1.33E-06 1.46E-06 2.58E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 6 40 114.1 49.48 40.78 2.07E-02 20 1.08E-06 1.29E-06 2.35E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 6 45 114.15 43.22 38.02 2.19E-02 20 1.33E-06 1.28E-06 2.34E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 6 50 114.2 42.67 38.24 2.41E-02 20 1.47E-06 1.39E-06 2.58E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 6 55 114.25 44.83 37.71 2.25E-02 20 1.34E-06 1.36E-06 2.38E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 6 60 114.3 47.19 33.24 2.26E-02 20 1.36E-06 1.50E-06 2.14E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 6 65 114.35 43.05 33.22 1.97E-02 20 1.27E-06 1.22E-06 1.87E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 6 70 114.4 44.43 32.7 1.87E-02 20 1.19E-06 1.20E-06 1.76E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 6 75 114.45 46.59 29.72 2.02E-02 20 1.28E-06 1.38E-06 1.74E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 6 80 114.5 48.58 28.27 1.94E-02 20 1.20E-06 1.39E-06 1.60E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 6 85 114.55 42.85 25.39 1.73E-02 20 1.21E-06 1.15E-06 1.28E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 6 90 114.6 39.54 26.53 2.04E-02 20 1.49E-06 1.26E-06 1.58E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 6 95 114.65 47.09 26.98 1.74E-02 20 1.12E-06 1.23E-06 1.37E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 6 100 114.7 45.96 30.22 1.79E-02 20 1.14E-06 1.21E-06 1.57E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 6 105 114.75 52.53 28.26 2.12E-02 20 1.20E-06 1.61E-06 1.74E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 6 110 114.8 49.79 22.66 2.25E-02 20 1.42E-06 1.72E-06 1.51E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 6 115 114.85 52.51 24.44 2.12E-02 20 1.24E-06 1.66E-06 1.52E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 6 120 114.9 60.3 29.57 1.60E-02 20 7.32E-07 1.31E-06 1.37E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 6 125 114.95 60.6 23.35 1.53E-02 20 7.29E-07 1.32E-06 1.05E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 6 130 115 58.51 20.18 1.46E-02 20 7.61E-07 1.27E-06 8.75E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 6 135 115.05 55.2 24.29 1.32E-02 20 7.29E-07 1.07E-06 9.43E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 6 140 115.1 57.26 25.85 1.29E-02 20 6.68E-07 1.06E-06 9.78E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 6 145 115.15 59.65 21.29 1.53E-02 20 7.66E-07 1.34E-06 9.65E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 6 150 115.2 64.63 25.49 1.41E-02 20 5.77E-07 1.24E-06 1.05E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 7 0 115.2 337.91 65.16 2.19E-03 20 9.03E-08 -3.75E-08 3.44E-07 4/1/97 Yes Yes 0 172 1063 C 13 H 7 5 115.25 56.38 29.92 1.24E-02 20 6.29E-07 9.67E-07 1.07E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 7 10 115.3 61.56 35.12 1.49E-02 20 6.15E-07 1.16E-06 1.49E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 7 15 115.35 65.23 40.94 1.61E-02 20 5.39E-07 1.19E-06 1.83E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 7 20 115.4 63.85 38.79 1.82E-02 20 6.65E-07 1.38E-06 1.98E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 7 25 115.45 59.52 35.59 2.43E-02 20 1.06E-06 1.85E-06 2.45E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 7 30 115.5 62.76 35.88 2.30E-02 20 9.04E-07 1.80E-06 2.34E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 7 35 115.55 71.34 31.92 2.21E-02 20 6.37E-07 1.93E-06 2.03E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 7 40 115.6 78.08 34.23 2.01E-02 20 3.64E-07 1.76E-06 1.96E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 7 45 115.65 88.4 37.17 1.37E-02 20 3.22E-08 1.18E-06 1.43E-06 4/1/97 Yes Yes 0 172 1063 C 13 H 7 50 115.7 84.72 35.56 1.00E-02 20 7.97E-08 8.83E-07 1.01E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 0 116.5 110.85 82.11 7.33E-03 20 -3.80E-08 1.02E-07 1.26E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 5 116.55 161.82 45.55 3.39E-02 20 -2.39E-06 8.03E-07 4.19E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 10 116.6 156.32 51.15 4.54E-02 20 -2.77E-06 1.24E-06 6.13E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 15 116.65 150.22 56.13 4.62E-02 20 -2.37E-06 1.39E-06 6.64E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 20 116.7 152.62 54.59 4.07E-02 20 -2.22E-06 1.18E-06 5.75E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 25 116.75 151 55 3.43E-02 20 -1.83E-06 1.03E-06 4.87E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 30 116.8 149.93 57.55 3.00E-02 20 -1.48E-06 8.75E-07 4.39E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 35 116.85 132.5 57.68 2.46E-02 20 -9.43E-07 1.05E-06 3.61E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 40 116.9 123.23 56.05 2.19E-02 20 -7.12E-07 1.11E-06 3.16E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 45 116.95 108.71 46.12 2.48E-02 20 -5.85E-07 1.77E-06 3.10E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 50 117 99.23 47.7 2.49E-02 20 -2.85E-07 1.79E-06 3.19E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 55 117.05 93.68 43.94 2.92E-02 20 -1.43E-07 2.28E-06 3.51E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 60 117.1 126.59 55.27 2.50E-02 20 -9.02E-07 1.24E-06 3.57E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 65 117.15 146.38 41.7 2.60E-02 20 -1.71E-06 1.16E-06 3.00E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 70 117.2 108.31 42.69 2.63E-02 20 -6.44E-07 1.99E-06 3.09E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 75 117.25 117.11 58.92 2.94E-02 20 -7.33E-07 1.46E-06 4.36E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 80 117.3 124.01 55.65 3.31E-02 20 -1.11E-06 1.68E-06 4.74E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 85 117.35 120.18 58.46 2.62E-02 20 -7.31E-07 1.28E-06 3.87E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 90 117.4 125.09 60.7 2.50E-02 20 -7.45E-07 1.08E-06 3.77E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 95 117.45 125.98 59.31 3.05E-02 20 -9.68E-07 1.36E-06 4.54E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 100 117.5 119.5 52.6 3.68E-02 20 -1.17E-06 2.11E-06 5.07E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 105 117.55 119.33 53.49 3.90E-02 20 -1.20E-06 2.19E-06 5.43E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 110 117.6 124.64 57.06 4.17E-02 20 -1.37E-06 2.02E-06 6.07E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 115 117.65 141.59 53.64 4.89E-02 20 -2.41E-06 1.95E-06 6.82E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 120 117.7 147.38 53.11 5.11E-02 20 -2.74E-06 1.79E-06 7.09E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 125 117.75 142.97 55.63 5.57E-02 20 -2.66E-06 2.05E-06 7.97E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 130 117.8 138.09 53.33 6.61E-02 20 -3.11E-06 2.86E-06 9.18E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 135 117.85 135.17 56.65 6.45E-02 20 -2.67E-06 2.71E-06 9.34E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 140 117.9 131.56 60.7 6.43E-02 20 -2.21E-06 2.55E-06 9.72E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 145 117.95 124.89 66.01 5.20E-02 20 -1.28E-06 1.88E-06 8.24E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 1 150 118 111.81 64.08 4.17E-02 20 -7.18E-07 1.83E-06 6.50E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 0 118 340.47 77.16 1.05E-02 20 2.33E-07 -8.45E-08 1.77E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 5 118.05 79.19 63.28 3.77E-02 20 3.37E-07 1.81E-06 5.84E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 10 118.1 92.76 61.73 5.31E-02 20 -1.29E-07 2.73E-06 8.11E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 15 118.15 101.26 58.8 5.41E-02 20 -5.80E-07 2.98E-06 8.02E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 20 118.2 106.13 51.93 5.56E-02 20 -1.01E-06 3.58E-06 7.59E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 25 118.25 119.08 45.12 5.02E-02 20 -1.83E-06 3.36E-06 6.17E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 30 118.3 125.2 50.86 3.77E-02 20 -1.45E-06 2.11E-06 5.07E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 35 118.35 121.37 55.8 4.20E-02 20 -1.30E-06 2.19E-06 6.03E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 40 118.4 126.5 59.51 3.89E-02 20 -1.25E-06 1.72E-06 5.82E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 45 118.45 117.33 60.46 2.99E-02 20 -7.18E-07 1.42E-06 4.51E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 50 118.5 121.4 64.09 2.66E-02 20 -6.43E-07 1.08E-06 4.15E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 55 118.55 134.03 67.6 3.00E-02 20 -8.42E-07 8.91E-07 4.80E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 60 118.6 101.38 64.46 3.45E-02 20 -3.12E-07 1.58E-06 5.40E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 65 118.65 95.75 52.88 4.19E-02 20 -2.69E-07 2.73E-06 5.80E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 70 118.7 98.95 51.88 4.13E-02 20 -4.21E-07 2.73E-06 5.63E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 75 118.75 109.18 51.57 4.01E-02 20 -8.69E-07 2.55E-06 5.45E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 80 118.8 125.5 50.72 3.95E-02 20 -1.54E-06 2.21E-06 5.30E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 85 118.85 126.59 51.26 4.49E-02 20 -1.78E-06 2.45E-06 6.07E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 90 118.9 110.61 53.74 4.46E-02 20 -9.84E-07 2.68E-06 6.23E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 95 118.95 100.57 49.16 5.17E-02 20 -6.58E-07 3.61E-06 6.79E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 100 119 97.12 47.21 5.92E-02 20 -5.28E-07 4.33E-06 7.53E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 105 119.05 103.24 45.03 6.30E-02 20 -1.08E-06 4.70E-06 7.72E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 110 119.1 112.18 46.81 5.82E-02 20 -1.60E-06 4.00E-06 7.36E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 115 119.15 123.53 46.02 4.96E-02 20 -2.02E-06 3.11E-06 6.18E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 120 119.2 126.19 54.08 3.38E-02 20 -1.24E-06 1.74E-06 4.75E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 125 119.25 122.4 65.05 2.46E-02 20 -5.89E-07 9.49E-07 3.86E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 130 119.3 112.35 68.57 2.59E-02 20 -3.82E-07 9.49E-07 4.18E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 135 119.35 109.23 65.12 3.46E-02 20 -5.09E-07 1.49E-06 5.45E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 140 119.4 114.2 61.58 4.15E-02 20 -8.59E-07 1.95E-06 6.33E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 2 145 119.45 118.1 57.09 4.66E-02 20 -1.26E-06 2.42E-06 6.78E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 3 0 119.5 10.22 76.82 9.23E-03 20 2.20E-07 4.05E-08 1.56E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 3 5 119.55 108.73 52.87 3.57E-02 20 -7.33E-07 2.21E-06 4.93E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 3 10 119.6 124.78 51.62 3.79E-02 20 -1.42E-06 2.09E-06 5.15E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 3 15 119.65 128.65 59.75 3.99E-02 20 -1.33E-06 1.70E-06 5.98E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 3 20 119.7 139.37 76.45 4.23E-02 20 -7.97E-07 6.99E-07 7.12E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 3 25 119.75 97.89 65.64 5.85E-02 20 -3.51E-07 2.59E-06 9.23E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 3 30 119.8 102.06 55.25 7.21E-02 20 -9.11E-07 4.36E-06 1.03E-05 4/1/97 Yes Yes 0 172 1063 C 14 H 3 35 119.85 95.67 53.43 6.66E-02 20 -4.16E-07 4.28E-06 9.28E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 3 40 119.9 90.96 51.03 5.83E-02 20 -6.52E-08 3.97E-06 7.85E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 3 45 119.95 94.15 54.22 3.55E-02 20 -1.59E-07 2.24E-06 4.99E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 3 50 120 96.38 61.05 2.12E-02 20 -1.21E-07 1.11E-06 3.22E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 3 55 120.05 108.56 48.39 2.36E-02 20 -5.28E-07 1.61E-06 3.06E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 3 60 120.1 113.28 52.49 2.05E-02 20 -5.22E-07 1.24E-06 2.81E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 3 65 120.15 99.82 55.22 1.57E-02 20 -1.62E-07 9.59E-07 2.24E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 3 70 120.2 108 65.22 1.19E-02 20 -1.64E-07 5.15E-07 1.87E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 3 75 120.25 124.25 49.2 1.37E-02 20 -5.35E-07 8.04E-07 1.80E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 3 80 120.3 128.07 47.8 1.44E-02 20 -6.34E-07 8.28E-07 1.85E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 3 85 120.35 131.47 50.74 1.16E-02 20 -5.16E-07 5.97E-07 1.56E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 3 90 120.4 118.91 53.45 7.63E-03 20 -2.33E-07 4.32E-07 1.06E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 3 95 120.45 100.52 68.77 5.47E-03 20 -3.84E-08 2.11E-07 8.84E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 3 100 120.5 107.07 61.42 1.09E-02 20 -1.62E-07 5.40E-07 1.66E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 3 105 120.55 118.56 53.63 1.94E-02 20 -5.84E-07 1.10E-06 2.71E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 3 110 120.6 134.64 69.36 1.39E-02 20 -3.64E-07 3.77E-07 2.25E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 3 115 120.65 97.26 55.84 2.56E-02 20 -1.93E-07 1.55E-06 3.68E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 3 120 120.7 94.41 48.43 4.15E-02 20 -2.25E-07 2.98E-06 5.39E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 3 125 120.75 99.86 43.03 5.02E-02 20 -6.67E-07 3.92E-06 5.94E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 3 130 120.8 112.53 39.12 4.63E-02 20 -1.46E-06 3.60E-06 5.06E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 3 135 120.85 123 47.72 3.66E-02 20 -1.42E-06 2.24E-06 4.70E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 3 140 120.9 118.84 58.22 4.42E-02 20 -1.19E-06 2.21E-06 6.52E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 3 145 120.95 121.03 52 5.56E-02 20 -1.87E-06 3.18E-06 7.60E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 3 150 121 123.87 49.23 3.87E-02 20 -1.49E-06 2.27E-06 5.07E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 4 0 121 110.04 71.82 4.24E-03 20 -4.81E-08 1.35E-07 6.98E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 4 5 121.05 119.62 39.03 1.90E-02 20 -7.76E-07 1.40E-06 2.08E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 4 10 121.1 123.87 48.05 1.41E-02 20 -5.59E-07 8.51E-07 1.82E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 4 15 121.15 103.99 67.73 1.03E-02 20 -1.00E-07 4.11E-07 1.65E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 4 20 121.2 101.94 55.47 1.43E-02 20 -1.78E-07 8.61E-07 2.04E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 4 25 121.25 106.05 62.16 9.57E-03 20 -1.31E-07 4.66E-07 1.47E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 4 30 121.3 104.65 55.44 9.03E-03 20 -1.37E-07 5.38E-07 1.29E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 4 35 121.35 115.69 39.37 1.48E-02 20 -5.25E-07 1.12E-06 1.62E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 4 40 121.4 127.05 46.54 9.56E-03 20 -4.20E-07 5.69E-07 1.20E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 4 45 121.45 140.69 42.27 4.74E-03 20 -2.88E-07 2.41E-07 5.52E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 4 50 121.5 205.8 86.22 1.23E-03 20 -7.73E-09 -3.82E-09 2.12E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 4 55 121.55 38.37 71.7 8.34E-04 20 2.18E-08 1.76E-08 1.37E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 4 60 121.6 87.29 50.25 1.30E-03 20 4.16E-09 8.98E-08 1.73E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 4 65 121.65 105.74 47.65 1.48E-03 20 -2.88E-08 1.04E-07 1.90E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 4 70 121.7 113.12 55.11 1.39E-03 20 -3.30E-08 7.91E-08 1.97E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 4 75 121.75 126.43 56.01 1.47E-03 20 -5.17E-08 7.17E-08 2.11E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 4 80 121.8 123.23 53.42 1.41E-03 20 -4.89E-08 7.63E-08 1.96E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 4 85 121.85 117.61 48.58 1.22E-03 20 -3.96E-08 7.74E-08 1.58E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 4 90 121.9 110.03 56.37 1.11E-03 20 -2.23E-08 6.27E-08 1.60E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 4 95 121.95 205.14 79.19 2.15E-03 20 -3.86E-08 -1.85E-08 3.65E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 4 100 122 127.03 65.7 4.70E-03 20 -1.24E-07 1.67E-07 7.43E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 4 105 122.05 113.6 58.17 3.50E-03 20 -7.84E-08 1.83E-07 5.16E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 4 110 122.1 271.97 57.92 2.65E-03 20 5.12E-09 -1.53E-07 3.90E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 4 115 122.15 93.28 43.49 9.16E-03 20 -4.03E-08 7.19E-07 1.09E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 4 120 122.2 101.65 38.57 2.27E-02 20 -3.80E-07 1.89E-06 2.46E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 4 125 122.25 108.07 55.4 1.53E-02 20 -2.87E-07 8.98E-07 2.19E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 4 130 122.3 108.91 48.08 1.84E-02 20 -4.23E-07 1.26E-06 2.38E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 4 135 122.35 120.08 46.13 1.73E-02 20 -6.36E-07 1.12E-06 2.16E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 4 140 122.4 117.84 68.38 5.93E-03 20 -1.08E-07 2.09E-07 9.55E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 4 145 122.45 65.4 74.15 2.88E-03 20 3.48E-08 7.77E-08 4.81E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 4 150 122.5 352.53 87.05 1.14E-03 20 6.19E-09 -8.29E-10 1.98E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 5 0 122.5 268.62 27.51 6.36E-03 20 -1.44E-08 -6.11E-07 5.09E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 5 5 122.55 89.35 40.92 2.43E-02 20 2.20E-08 2.00E-06 2.76E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 5 10 122.6 93.06 31.59 5.55E-02 20 -2.68E-07 5.12E-06 5.04E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 5 15 122.65 98.53 43.6 2.93E-02 20 -3.33E-07 2.27E-06 3.50E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 5 20 122.7 97.27 56.91 1.24E-02 20 -9.06E-08 7.26E-07 1.79E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 5 25 122.75 86.39 43.2 1.00E-02 20 4.86E-08 7.89E-07 1.19E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 5 30 122.8 90.73 25.32 1.48E-02 20 -1.79E-08 1.45E-06 1.10E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 5 35 122.85 100.49 42.71 7.60E-03 20 -1.08E-07 5.96E-07 8.94E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 5 40 122.9 109.43 61.23 8.51E-03 20 -1.44E-07 4.19E-07 1.29E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 5 45 122.95 108.78 46.7 1.90E-02 20 -4.46E-07 1.34E-06 2.40E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 5 50 123 108.12 49.05 3.17E-02 20 -6.86E-07 2.14E-06 4.16E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 5 55 123.05 108.16 44.92 4.24E-02 20 -9.94E-07 3.10E-06 5.20E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 5 60 123.1 114.88 47.89 2.89E-02 20 -8.66E-07 1.91E-06 3.72E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 5 65 123.15 93.14 58.48 1.74E-02 20 -5.29E-08 9.85E-07 2.57E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 5 70 123.2 96.61 32.45 4.52E-02 20 -4.65E-07 4.11E-06 4.20E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 5 75 123.25 101.24 28.22 4.62E-02 20 -8.41E-07 4.33E-06 3.78E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 5 80 123.3 104.52 42.8 2.16E-02 20 -4.22E-07 1.67E-06 2.55E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 5 85 123.35 112.3 55.51 1.75E-02 20 -3.98E-07 9.92E-07 2.49E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 5 90 123.4 116 48.44 2.61E-02 20 -8.04E-07 1.69E-06 3.38E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 5 95 123.45 117.14 47.42 3.23E-02 20 -1.06E-06 2.11E-06 4.12E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 5 100 123.5 95.03 51.1 3.65E-02 20 -2.13E-07 2.47E-06 4.92E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 5 105 123.55 96.45 54.47 4.20E-02 20 -2.91E-07 2.63E-06 5.93E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 5 110 123.6 102.01 62.04 3.16E-02 20 -3.27E-07 1.57E-06 4.83E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 5 115 123.65 113.83 63.84 3.52E-02 20 -6.64E-07 1.54E-06 5.47E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 5 120 123.7 118.29 40.48 8.08E-02 20 -3.09E-06 5.87E-06 9.10E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 5 125 123.75 115.85 35.32 8.60E-02 20 -3.24E-06 6.85E-06 8.62E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 5 130 123.8 109.76 35.5 4.55E-02 20 -1.33E-06 3.78E-06 4.58E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 5 135 123.85 82.09 47.82 1.34E-02 20 1.31E-07 9.66E-07 1.72E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 5 140 123.9 314.56 58.08 4.10E-03 20 1.61E-07 -1.67E-07 6.03E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 5 145 123.95 253.05 74.74 2.06E-03 20 -1.68E-08 -5.63E-08 3.45E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 5 150 124 129.38 50.46 1.98E-03 20 -8.47E-08 1.06E-07 2.64E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 6 0 124 130.92 79.09 7.80E-04 20 -1.02E-08 1.21E-08 1.33E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 6 5 124.05 113.24 48.86 2.33E-03 20 -6.42E-08 1.53E-07 3.05E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 6 10 124.1 106.34 58.2 2.29E-03 20 -3.60E-08 1.26E-07 3.38E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 6 15 124.15 117.89 68.63 3.22E-03 20 -5.83E-08 1.13E-07 5.20E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 6 20 124.2 111.48 68.26 6.29E-03 20 -9.05E-08 2.35E-07 1.01E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 6 25 124.25 104.81 57.29 1.45E-02 20 -2.12E-07 8.19E-07 2.11E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 6 30 124.3 113.67 42.85 2.58E-02 20 -8.05E-07 1.88E-06 3.04E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 6 35 124.35 120.82 50.46 1.71E-02 20 -5.92E-07 1.02E-06 2.29E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 6 40 124.4 98.08 59.73 9.98E-03 20 -7.50E-08 5.40E-07 1.49E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 6 45 124.45 99.47 46.71 1.11E-02 20 -1.32E-07 8.11E-07 1.39E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 6 50 124.5 107.72 51.88 1.10E-02 20 -2.20E-07 7.03E-07 1.50E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 6 55 124.55 116.12 49.89 1.39E-02 20 -4.19E-07 8.74E-07 1.85E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 6 60 124.6 120.15 33.03 1.89E-02 20 -8.44E-07 1.49E-06 1.79E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 6 65 124.65 125.67 38.95 1.10E-02 20 -5.29E-07 7.53E-07 1.20E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 6 70 124.7 131.47 41.23 1.07E-02 20 -5.65E-07 6.54E-07 1.22E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 6 75 124.75 131.39 33.03 1.45E-02 20 -8.52E-07 9.89E-07 1.37E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 6 80 124.8 131.82 35.16 1.21E-02 20 -7.02E-07 8.02E-07 1.21E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 6 85 124.85 127.25 68.83 5.01E-03 20 -1.16E-07 1.56E-07 8.11E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 6 90 124.9 92.61 46.71 8.44E-03 20 -2.79E-08 6.27E-07 1.06E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 6 95 124.95 109.68 35.51 1.50E-02 20 -4.37E-07 1.25E-06 1.51E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 6 100 125 115.91 46.02 1.34E-02 20 -4.33E-07 9.11E-07 1.68E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 6 105 125.05 110.63 51.69 1.75E-02 20 -4.05E-07 1.10E-06 2.38E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 6 110 125.1 118.69 48.25 2.28E-02 20 -7.73E-07 1.44E-06 2.95E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 6 115 125.15 121.88 50.56 1.63E-02 20 -5.80E-07 9.54E-07 2.18E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 6 120 125.2 118.34 46.34 1.41E-02 20 -4.89E-07 9.26E-07 1.76E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 6 125 125.25 123.61 42.26 1.29E-02 20 -5.59E-07 8.60E-07 1.50E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 6 130 125.3 124.63 40.28 1.04E-02 20 -4.81E-07 7.11E-07 1.17E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 6 135 125.35 119.38 47.18 6.66E-03 20 -2.35E-07 4.27E-07 8.46E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 6 140 125.4 116.34 44.32 5.25E-03 20 -1.77E-07 3.65E-07 6.36E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 6 145 125.45 110.32 52.96 2.53E-03 20 -5.62E-08 1.55E-07 3.51E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 6 150 125.5 114.94 63.74 1.16E-03 20 -2.29E-08 5.03E-08 1.80E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 7 0 125.5 67.86 67.23 3.05E-04 20 4.72E-09 1.19E-08 4.88E-08 4/1/97 Yes Yes 0 172 1063 C 14 H 7 5 125.55 101.66 33.17 1.41E-03 20 -2.53E-08 1.26E-07 1.34E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 7 10 125.6 109.19 38.73 1.43E-03 20 -3.88E-08 1.14E-07 1.55E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 7 15 125.65 113.92 55.98 1.19E-03 20 -2.86E-08 6.59E-08 1.71E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 7 20 125.7 106.26 65.63 1.69E-03 20 -2.08E-08 7.28E-08 2.68E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 7 25 125.75 116.88 59.47 3.37E-03 20 -8.20E-08 1.65E-07 5.03E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 7 30 125.8 116.42 50.89 6.19E-03 20 -1.84E-07 3.79E-07 8.33E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 7 35 125.85 121.87 47.18 8.09E-03 20 -3.08E-07 5.06E-07 1.03E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 7 40 125.9 115.81 44.29 8.94E-03 20 -2.95E-07 6.25E-07 1.08E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 7 45 125.95 115.11 39.19 1.06E-02 20 -3.69E-07 8.06E-07 1.16E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 7 50 126 117.48 40.4 9.46E-03 20 -3.53E-07 6.93E-07 1.06E-06 4/1/97 Yes Yes 0 172 1063 C 14 H 7 55 126.05 114.04 50.47 6.17E-03 20 -1.70E-07 3.89E-07 8.25E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 7 60 126.1 113.68 47.23 5.65E-03 20 -1.63E-07 3.81E-07 7.19E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 7 65 126.15 120.48 38.97 6.18E-03 20 -2.58E-07 4.49E-07 6.74E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 7 70 126.2 118.46 41.24 6.33E-03 20 -2.41E-07 4.54E-07 7.23E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 7 75 126.25 141.95 53.76 4.29E-03 20 -2.12E-07 1.70E-07 6.00E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 7 80 126.3 133.27 57.29 2.29E-03 20 -8.99E-08 9.77E-08 3.34E-07 4/1/97 Yes Yes 0 172 1063 C 14 H 7 85 126.35 103.85 57.69 1.03E-03 20 -1.39E-08 5.78E-08 1.50E-07 4/1/97 Yes Yes 0 172 1063 C 15 H 1 0 126 177.9 15.96 1.94E-04 20 -1.97E-08 7.40E-10 9.23E-09 4/2/97 Yes Yes 0 172 1063 C 15 H 1 5 126.05 248.93 22.87 4.83E-04 20 -1.70E-08 -4.50E-08 3.25E-08 4/2/97 Yes Yes 0 172 1063 C 15 H 1 10 126.1 323.61 25.97 1.33E-03 20 1.02E-07 -7.71E-08 1.01E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 1 15 126.15 327.83 36.41 1.52E-03 20 1.10E-07 -7.06E-08 1.56E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 1 20 126.2 181.4 83.23 1.03E-03 20 -1.29E-08 -3.24E-10 1.78E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 1 25 126.25 183.68 85.69 1.24E-03 20 -9.90E-09 -6.52E-10 2.15E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 1 30 126.3 278.43 68.07 2.14E-03 20 1.24E-08 -8.59E-08 3.45E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 1 35 126.35 294.37 62.24 1.87E-03 20 3.81E-08 -8.59E-08 2.86E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 1 40 126.4 324.71 41.52 1.79E-03 20 1.16E-07 -8.38E-08 2.05E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 1 45 126.45 320.27 22.06 3.44E-03 20 2.60E-07 -2.21E-07 2.24E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 1 50 126.5 322.71 26.13 2.84E-03 20 2.15E-07 -1.67E-07 2.17E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 1 55 126.55 316.19 40.43 1.61E-03 20 9.41E-08 -9.23E-08 1.82E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 1 60 126.6 300.86 33.94 1.63E-03 20 7.34E-08 -1.26E-07 1.57E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 1 65 126.65 297.84 29.14 1.70E-03 20 7.35E-08 -1.42E-07 1.43E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 1 70 126.7 306.03 39.5 1.17E-03 20 5.61E-08 -7.89E-08 1.29E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 1 75 126.75 311.5 47.74 1.09E-03 20 5.14E-08 -5.94E-08 1.39E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 1 80 126.8 322.51 46.76 1.32E-03 20 7.62E-08 -5.98E-08 1.67E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 1 85 126.85 312.53 50.82 1.60E-03 20 7.24E-08 -8.07E-08 2.15E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 1 90 126.9 304.52 56.12 1.94E-03 20 6.49E-08 -9.64E-08 2.79E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 1 95 126.95 320.65 62.2 2.55E-03 20 9.76E-08 -8.18E-08 3.91E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 1 100 127 303.47 53.83 2.90E-03 20 1.00E-07 -1.55E-07 4.05E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 1 105 127.05 305.36 53.87 2.72E-03 20 9.84E-08 -1.42E-07 3.81E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 1 110 127.1 9.72 65.49 2.69E-03 20 1.17E-07 2.05E-08 4.25E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 1 115 127.15 308.34 68.9 4.09E-03 20 9.68E-08 -1.25E-07 6.61E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 1 120 127.2 265.36 35.48 5.29E-03 20 -3.70E-08 -4.66E-07 5.32E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 1 125 127.25 273.53 33.04 3.26E-03 20 1.79E-08 -2.96E-07 3.08E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 1 130 127.3 321.67 26.63 1.79E-03 20 1.33E-07 -1.07E-07 1.39E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 1 135 127.35 6.69 32.02 1.30E-03 20 1.16E-07 1.39E-08 1.20E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 1 140 127.4 52.57 58.75 1.13E-03 20 3.78E-08 5.05E-08 1.68E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 1 145 127.45 200.27 66.14 6.76E-04 20 -2.72E-08 -1.03E-08 1.07E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 1 150 127.5 274 -5.79 3.30E-03 20 2.43E-08 -3.55E-07 -5.76E-08 4/2/97 Yes Yes 0 172 1063 C 15 H 2 0 127.5 26.29 70.36 1.64E-04 20 5.26E-09 2.66E-09 2.69E-08 4/2/97 Yes Yes 0 172 1063 C 15 H 2 5 127.55 332.46 58.8 6.67E-04 20 3.25E-08 -1.73E-08 9.89E-08 4/2/97 Yes Yes 0 172 1063 C 15 H 2 10 127.6 37.8 48.6 1.31E-03 20 7.29E-08 5.78E-08 1.71E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 2 15 127.65 315.19 71.51 1.94E-03 20 4.63E-08 -4.70E-08 3.19E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 2 20 127.7 259.79 37.41 1.81E-03 20 -2.70E-08 -1.53E-07 1.90E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 2 25 127.75 332.33 66.25 8.97E-04 20 3.39E-08 -1.82E-08 1.42E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 2 30 127.8 279 47.6 9.49E-04 20 1.06E-08 -6.86E-08 1.22E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 2 35 127.85 308.35 42.67 8.17E-04 20 3.95E-08 -5.11E-08 9.60E-08 4/2/97 Yes Yes 0 172 1063 C 15 H 2 40 127.9 338 70.41 1.41E-03 20 4.65E-08 -1.92E-08 2.30E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 2 45 127.95 265.58 27.07 2.78E-03 20 -2.02E-08 -2.67E-07 2.19E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 2 50 128 295.3 29.25 2.52E-03 20 9.97E-08 -2.16E-07 2.14E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 2 55 128.05 281.53 26.37 2.44E-03 20 4.64E-08 -2.32E-07 1.88E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 2 60 128.1 260.6 26 1.53E-03 20 -2.38E-08 -1.47E-07 1.16E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 2 65 128.15 258.37 32.14 8.84E-04 20 -1.60E-08 -7.95E-08 8.15E-08 4/2/97 Yes Yes 0 172 1063 C 15 H 2 70 128.2 289.87 33.7 1.81E-03 20 5.42E-08 -1.53E-07 1.74E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 2 75 128.25 288.54 28.52 3.34E-03 20 9.90E-08 -3.02E-07 2.77E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 2 80 128.3 328.2 38.92 5.38E-03 20 3.77E-07 -2.39E-07 5.86E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 2 85 128.35 309.16 34.78 9.33E-03 20 5.13E-07 -6.44E-07 9.23E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 2 90 128.4 300.99 30.44 6.00E-03 20 2.83E-07 -4.81E-07 5.27E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 2 95 128.45 12.5 70.07 1.18E-03 20 4.17E-08 9.46E-09 1.93E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 2 100 128.5 333.42 67.91 9.72E-04 20 3.47E-08 -1.77E-08 1.56E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 2 105 128.55 313.96 44.81 9.48E-04 20 4.95E-08 -5.25E-08 1.16E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 2 110 128.6 334.85 58.31 8.89E-04 20 4.48E-08 -2.15E-08 1.31E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 2 115 128.65 339.83 73.23 1.17E-03 20 3.36E-08 -1.26E-08 1.94E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 2 120 128.7 347.31 76.75 1.40E-03 20 3.33E-08 -7.67E-09 2.37E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 2 125 128.75 246.58 68.28 1.63E-03 20 -2.54E-08 -6.01E-08 2.63E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 2 130 128.8 99.32 65.16 1.87E-03 20 -1.35E-08 8.42E-08 2.95E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 2 135 128.85 29.76 59 4.73E-03 20 2.24E-07 1.31E-07 7.02E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 2 140 128.9 296.83 45.94 1.15E-02 20 3.82E-07 -7.72E-07 1.43E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 2 145 128.95 293.02 30.34 1.56E-02 20 5.58E-07 -1.34E-06 1.37E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 3 0 129 178.59 38.95 2.39E-03 20 -1.97E-07 4.96E-09 2.60E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 3 5 129.05 267.34 45.95 7.59E-03 20 -2.60E-08 -5.72E-07 9.45E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 3 10 129.1 304.02 24.72 2.61E-02 20 1.41E-06 -2.13E-06 1.89E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 3 15 129.15 314.95 24.04 4.73E-02 20 3.24E-06 -3.32E-06 3.34E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 3 20 129.2 315.13 28.25 4.49E-02 20 2.97E-06 -3.02E-06 3.68E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 3 25 129.25 320.91 30.59 3.17E-02 20 2.25E-06 -1.87E-06 2.80E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 3 30 129.3 318.14 26.75 2.94E-02 20 2.08E-06 -1.90E-06 2.30E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 3 35 129.35 318.3 22.53 3.06E-02 20 2.24E-06 -2.04E-06 2.03E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 3 40 129.4 322.22 23.02 3.56E-02 20 2.74E-06 -2.17E-06 2.41E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 3 45 129.45 317.59 31.55 3.84E-02 20 2.56E-06 -2.39E-06 3.48E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 3 50 129.5 302.75 41.41 3.84E-02 20 1.65E-06 -2.62E-06 4.40E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 3 55 129.55 295.65 43.09 3.36E-02 20 1.13E-06 -2.40E-06 3.98E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 3 60 129.6 294.1 43.11 3.20E-02 20 1.01E-06 -2.31E-06 3.79E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 3 65 129.65 290.19 45.14 3.18E-02 20 8.22E-07 -2.29E-06 3.91E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 3 70 129.7 299.8 49.47 3.00E-02 20 1.03E-06 -1.83E-06 3.95E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 3 75 129.75 315.58 45.83 3.87E-02 20 2.04E-06 -2.05E-06 4.81E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 3 80 129.8 315.37 41.93 4.85E-02 20 2.72E-06 -2.75E-06 5.61E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 3 85 129.85 308.81 43.56 4.30E-02 20 2.07E-06 -2.63E-06 5.13E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 3 90 129.9 302.61 55.21 2.84E-02 20 9.25E-07 -1.48E-06 4.04E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 3 95 129.95 306.21 39.17 3.91E-02 20 1.90E-06 -2.65E-06 4.28E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 3 100 130 309.13 33.85 5.60E-02 20 3.11E-06 -3.91E-06 5.41E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 3 105 130.05 314.21 40.9 5.12E-02 20 2.86E-06 -3.01E-06 5.81E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 3 110 130.1 315.58 42.08 4.80E-02 20 2.70E-06 -2.70E-06 5.57E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 3 115 130.15 315.98 40.46 5.03E-02 20 2.92E-06 -2.88E-06 5.65E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 3 120 130.2 313.43 41.92 5.11E-02 20 2.77E-06 -3.00E-06 5.92E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 3 125 130.25 305.59 38.02 5.24E-02 20 2.55E-06 -3.64E-06 5.59E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 3 130 130.3 306.28 28.36 6.05E-02 20 3.34E-06 -4.65E-06 4.98E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 3 135 130.35 313.34 30.47 6.36E-02 20 3.99E-06 -4.32E-06 5.59E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 3 140 130.4 321.97 31.81 6.42E-02 20 4.56E-06 -3.65E-06 5.87E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 3 145 130.45 329.27 32.31 6.56E-02 20 5.05E-06 -3.07E-06 6.08E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 3 150 130.5 328.48 30.57 6.29E-02 20 4.90E-06 -3.07E-06 5.55E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 0 130.5 344.88 39.69 9.24E-03 20 7.28E-07 -2.01E-07 1.02E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 5 130.55 322.53 25.89 5.23E-02 20 3.96E-06 -3.10E-06 3.96E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 10 130.6 314.53 29.65 6.16E-02 20 3.98E-06 -4.14E-06 5.28E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 15 130.65 314.23 29.18 5.98E-02 20 3.86E-06 -4.06E-06 5.05E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 20 130.7 315.86 26 6.18E-02 20 4.23E-06 -4.20E-06 4.70E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 25 130.75 323.5 22.73 6.72E-02 20 5.29E-06 -4.00E-06 4.50E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 30 130.8 330.68 22.93 7.28E-02 20 6.20E-06 -3.56E-06 4.92E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 35 130.85 336.07 25.28 7.30E-02 20 6.40E-06 -2.90E-06 5.40E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 40 130.9 340.2 24.33 7.46E-02 20 6.79E-06 -2.50E-06 5.33E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 45 130.95 344.1 23.45 7.36E-02 20 6.89E-06 -2.01E-06 5.08E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 50 131 347.06 23.14 6.32E-02 20 6.00E-06 -1.41E-06 4.30E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 55 131.05 350.77 21.05 5.47E-02 20 5.35E-06 -8.89E-07 3.41E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 60 131.1 347.58 18.44 5.82E-02 20 5.72E-06 -1.29E-06 3.19E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 65 131.15 342.49 15.53 7.05E-02 20 6.87E-06 -2.22E-06 3.27E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 70 131.2 337.43 16.88 9.06E-02 20 8.49E-06 -3.61E-06 4.56E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 75 131.25 330.55 19.4 9.11E-02 20 7.94E-06 -4.58E-06 5.25E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 80 131.3 324.72 20.4 8.49E-02 20 6.89E-06 -4.98E-06 5.13E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 85 131.35 322.37 21.98 7.98E-02 20 6.22E-06 -4.90E-06 5.18E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 90 131.4 322.79 24.47 6.65E-02 20 5.11E-06 -3.97E-06 4.77E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 95 131.45 322.98 25.16 5.56E-02 20 4.26E-06 -3.28E-06 4.09E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 100 131.5 320.56 24.63 5.66E-02 20 4.21E-06 -3.54E-06 4.09E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 105 131.55 312.79 25.27 6.34E-02 20 4.13E-06 -4.56E-06 4.69E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 110 131.6 311.35 27.86 6.16E-02 20 3.82E-06 -4.44E-06 4.99E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 115 131.65 316.51 31.61 5.43E-02 20 3.56E-06 -3.45E-06 4.93E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 120 131.7 327.65 37.47 4.86E-02 20 3.46E-06 -2.24E-06 5.12E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 125 131.75 329.18 45.5 4.46E-02 20 2.85E-06 -1.74E-06 5.52E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 130 131.8 327.32 45.9 4.41E-02 20 2.74E-06 -1.80E-06 5.49E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 135 131.85 327.4 34.03 5.64E-02 20 4.18E-06 -2.73E-06 5.47E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 140 131.9 327.53 31.64 6.31E-02 20 4.81E-06 -3.13E-06 5.74E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 145 131.95 326.74 32.51 5.89E-02 20 4.40E-06 -2.95E-06 5.48E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 4 150 132 308.1 31.04 5.65E-02 20 3.17E-06 -4.13E-06 5.05E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 5 0 132.05 255.56 69.11 6.39E-03 20 -6.03E-08 -2.39E-07 1.04E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 5 5 132.1 312.73 23.68 5.43E-02 20 3.58E-06 -3.96E-06 3.78E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 5 10 132.15 321.95 20.76 7.48E-02 20 5.84E-06 -4.67E-06 4.59E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 5 15 132.2 329.28 20.73 6.48E-02 20 5.52E-06 -3.36E-06 3.97E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 5 20 132.25 325.12 19.75 6.40E-02 20 5.24E-06 -3.74E-06 3.75E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 5 25 132.3 320.34 23.31 5.19E-02 20 3.89E-06 -3.30E-06 3.56E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 5 30 132.35 313.89 30.21 3.31E-02 20 2.10E-06 -2.24E-06 2.89E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 5 35 132.4 306.49 34.88 1.96E-02 20 1.02E-06 -1.41E-06 1.95E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 5 40 132.45 322.82 49.63 1.20E-02 20 6.57E-07 -5.10E-07 1.59E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 5 45 132.5 317.29 54.61 1.05E-02 20 4.72E-07 -4.46E-07 1.48E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 5 50 132.55 323.01 46.67 9.65E-03 20 5.61E-07 -4.32E-07 1.22E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 5 55 132.6 328.9 33.92 1.06E-02 20 8.00E-07 -4.93E-07 1.03E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 5 60 132.65 331.15 30.74 1.07E-02 20 8.56E-07 -4.82E-07 9.50E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 5 65 132.7 320.1 28.62 1.13E-02 20 8.04E-07 -6.87E-07 9.34E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 5 70 132.75 306.37 35.07 8.94E-03 20 4.60E-07 -6.39E-07 8.91E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 5 75 132.8 316.15 44.8 7.44E-03 20 4.04E-07 -3.97E-07 9.09E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 5 80 132.85 323.81 40.52 7.38E-03 20 4.80E-07 -3.59E-07 8.31E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 5 85 132.9 325.26 36.38 7.79E-03 20 5.46E-07 -3.87E-07 8.01E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 5 90 132.95 324 39.42 6.35E-03 20 4.21E-07 -3.13E-07 6.99E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 5 95 133 324.89 38.9 6.13E-03 20 4.14E-07 -2.98E-07 6.67E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 5 100 133.05 315.96 48.85 5.33E-03 20 2.67E-07 -2.64E-07 6.95E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 5 105 133.1 281.84 61.77 2.18E-03 20 2.24E-08 -1.09E-07 3.32E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 5 110 133.15 324.59 33.48 3.92E-03 20 2.82E-07 -2.05E-07 3.74E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 5 115 133.2 320.84 22.25 1.15E-02 20 8.75E-07 -7.28E-07 7.54E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 5 120 133.25 310.36 21.89 1.40E-02 20 8.94E-07 -1.08E-06 9.06E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 5 125 133.3 319.12 19.17 1.05E-02 20 7.93E-07 -7.01E-07 5.95E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 5 130 133.35 327.25 24.6 1.07E-02 20 8.64E-07 -5.68E-07 7.69E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 5 135 133.4 327.85 29.4 1.20E-02 20 9.36E-07 -6.01E-07 1.02E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 5 140 133.45 331.79 28.22 1.64E-02 20 1.35E-06 -7.40E-07 1.34E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 5 145 133.5 333.28 25.03 2.18E-02 20 1.87E-06 -9.65E-07 1.60E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 5 150 133.55 333.75 24.94 2.51E-02 20 2.17E-06 -1.09E-06 1.84E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 6 0 133.6 328.48 42.46 2.65E-03 20 1.77E-07 -1.11E-07 3.10E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 6 5 133.65 330.3 21.96 1.39E-02 20 1.19E-06 -6.94E-07 9.03E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 6 10 133.7 334.99 21.48 1.84E-02 20 1.64E-06 -7.84E-07 1.17E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 6 15 133.75 335.56 24.29 1.75E-02 20 1.54E-06 -7.15E-07 1.25E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 6 20 133.8 334.48 29.06 1.58E-02 20 1.32E-06 -6.47E-07 1.33E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 6 25 133.85 329.39 29.6 2.08E-02 20 1.65E-06 -1.00E-06 1.78E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 6 30 133.9 334.95 29.87 2.81E-02 20 2.34E-06 -1.12E-06 2.42E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 6 35 133.95 338.49 29.08 3.38E-02 20 2.92E-06 -1.18E-06 2.85E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 6 40 134 333.36 27.88 3.72E-02 20 3.12E-06 -1.60E-06 3.01E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 6 45 134.05 331.21 32.13 3.96E-02 20 3.12E-06 -1.75E-06 3.65E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 6 50 134.1 332.89 34.61 4.43E-02 20 3.44E-06 -1.80E-06 4.36E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 6 55 134.15 332.86 26.71 5.28E-02 20 4.45E-06 -2.33E-06 4.11E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 6 60 134.2 336.01 23.81 5.44E-02 20 4.82E-06 -2.20E-06 3.81E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 6 65 134.25 330.78 39 2.11E-02 20 1.52E-06 -8.69E-07 2.30E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 6 70 134.3 154.17 36.81 5.81E-03 20 -4.44E-07 2.20E-07 6.04E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 6 75 134.35 156.59 35.36 2.15E-03 20 -1.71E-07 7.55E-08 2.16E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 6 80 134.4 203.22 68.4 7.32E-04 20 -2.63E-08 -1.15E-08 1.18E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 6 85 134.45 337 50.05 5.80E-04 20 3.64E-08 -1.58E-08 7.71E-08 4/2/97 Yes Yes 0 172 1063 C 15 H 6 90 134.5 346.75 31.44 8.92E-04 20 7.86E-08 -1.89E-08 8.06E-08 4/2/97 Yes Yes 0 172 1063 C 15 H 6 95 134.55 336.26 26.12 1.08E-03 20 9.45E-08 -4.25E-08 8.27E-08 4/2/97 Yes Yes 0 172 1063 C 15 H 6 100 134.6 327.87 27.97 8.50E-04 20 6.74E-08 -4.33E-08 6.91E-08 4/2/97 Yes Yes 0 172 1063 C 15 H 6 105 134.65 334.61 42.7 6.24E-04 20 4.40E-08 -2.13E-08 7.34E-08 4/2/97 Yes Yes 0 172 1063 C 15 H 6 110 134.7 334.62 45.97 5.70E-04 20 3.80E-08 -1.84E-08 7.11E-08 4/2/97 Yes Yes 0 172 1063 C 15 H 6 115 134.75 335.44 35.87 7.41E-04 20 5.79E-08 -2.71E-08 7.53E-08 4/2/97 Yes Yes 0 172 1063 C 15 H 6 120 134.8 334.98 35.59 9.25E-04 20 7.23E-08 -3.45E-08 9.33E-08 4/2/97 Yes Yes 0 172 1063 C 15 H 6 125 134.85 332.51 44.22 7.68E-04 20 5.18E-08 -2.75E-08 9.28E-08 4/2/97 Yes Yes 0 172 1063 C 15 H 6 130 134.9 324.72 47.12 6.05E-04 20 3.56E-08 -2.58E-08 7.68E-08 4/2/97 Yes Yes 0 172 1063 C 15 H 6 135 134.95 320.66 40.16 5.44E-04 20 3.41E-08 -2.86E-08 6.08E-08 4/2/97 Yes Yes 0 172 1063 C 15 H 6 140 135 328.33 20.54 8.45E-04 20 7.14E-08 -4.50E-08 5.14E-08 4/2/97 Yes Yes 0 172 1063 C 15 H 6 145 135.05 335.72 14.78 1.27E-03 20 1.19E-07 -5.47E-08 5.61E-08 4/2/97 Yes Yes 0 172 1063 C 15 H 6 150 135.1 338.39 19.07 8.03E-04 20 7.48E-08 -3.03E-08 4.55E-08 4/2/97 Yes Yes 0 172 1063 C 15 H 7 0 135.1 191.84 49.5 1.67E-04 20 -1.13E-08 -2.42E-09 2.21E-08 4/2/97 Yes Yes 0 172 1063 C 15 H 7 5 135.15 288.39 64 5.34E-04 20 7.83E-09 -2.41E-08 8.32E-08 4/2/97 Yes Yes 0 172 1063 C 15 H 7 10 135.2 178.35 69.66 1.05E-03 20 -3.87E-08 1.14E-09 1.71E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 7 15 135.25 12.31 39.29 4.27E-03 20 3.42E-07 7.64E-08 4.69E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 7 20 135.3 8.93 33.06 1.11E-02 20 9.75E-07 1.57E-07 1.05E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 7 25 135.35 352.58 29.63 1.81E-02 20 1.66E-06 -2.21E-07 1.56E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 7 30 135.4 329.47 21.63 3.40E-02 20 2.89E-06 -1.74E-06 2.17E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 7 35 135.45 320.55 21.75 3.67E-02 20 2.79E-06 -2.35E-06 2.36E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 7 40 135.5 314.64 34.52 1.79E-02 20 1.10E-06 -1.14E-06 1.76E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 7 45 135.55 312.43 37.67 1.13E-02 20 6.42E-07 -7.18E-07 1.20E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 7 50 135.6 314.99 32.77 1.08E-02 20 6.84E-07 -6.99E-07 1.02E-06 4/2/97 Yes Yes 0 172 1063 C 15 H 7 55 135.65 330.32 39.39 6.77E-03 20 4.82E-07 -2.81E-07 7.45E-07 4/2/97 Yes Yes 0 172 1063 C 15 H 7 60 135.7 337.36 35.94 5.75E-03 20 4.56E-07 -1.94E-07 5.85E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 1 0 135.5 274.46 85.79 5.95E-04 20 3.60E-10 -4.72E-09 1.03E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 1 5 135.55 282.51 63.36 1.32E-03 20 1.36E-08 -6.26E-08 2.04E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 1 10 135.6 259.13 69.78 1.15E-03 20 -7.92E-09 -4.22E-08 1.86E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 1 15 135.65 149.12 63.45 6.03E-04 20 -2.45E-08 1.50E-08 9.36E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 1 20 135.7 19.44 74.05 8.63E-04 20 2.37E-08 8.56E-09 1.44E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 1 25 135.75 323.91 70.89 1.86E-03 20 5.23E-08 -3.90E-08 3.05E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 1 30 135.8 296.51 50.53 4.38E-03 20 1.32E-07 -2.70E-07 5.86E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 1 35 135.85 291.3 40.05 7.05E-03 20 2.08E-07 -5.46E-07 7.87E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 1 40 135.9 293.17 39.25 8.03E-03 20 2.60E-07 -6.20E-07 8.81E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 1 45 135.95 289.19 48.72 6.56E-03 20 1.51E-07 -4.43E-07 8.55E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 1 50 136 299.2 40.91 9.69E-03 20 3.79E-07 -6.93E-07 1.10E-06 4/2/97 Yes Yes 0 172 1063 C 16 H 1 55 136.05 301.19 28.75 1.98E-02 20 9.52E-07 -1.61E-06 1.65E-06 4/2/97 Yes Yes 0 172 1063 C 16 H 1 60 136.1 306.38 31.68 1.76E-02 20 9.44E-07 -1.31E-06 1.61E-06 4/2/97 Yes Yes 0 172 1063 C 16 H 1 65 136.15 316.87 46.1 6.82E-03 20 3.66E-07 -3.51E-07 8.52E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 1 70 136.2 327.1 46.21 4.54E-03 20 2.80E-07 -1.85E-07 5.69E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 1 75 136.25 314.15 35.74 6.43E-03 20 3.85E-07 -4.06E-07 6.51E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 1 80 136.3 303.53 33.29 6.36E-03 20 3.11E-07 -4.81E-07 6.05E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 1 85 136.35 312.43 37.07 3.73E-03 20 2.13E-07 -2.38E-07 3.90E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 1 90 136.4 319.03 38.06 2.16E-03 20 1.36E-07 -1.21E-07 2.30E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 1 95 136.45 308.98 34.33 1.76E-03 20 9.67E-08 -1.22E-07 1.72E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 1 100 136.5 303.84 27.14 1.94E-03 20 1.02E-07 -1.55E-07 1.53E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 1 105 136.55 307.77 19.28 3.35E-03 20 2.05E-07 -2.71E-07 1.92E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 1 110 136.6 305.22 22.43 4.60E-03 20 2.60E-07 -3.77E-07 3.04E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 1 115 136.65 306.14 33.28 3.27E-03 20 1.71E-07 -2.39E-07 3.11E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 1 120 136.7 306.45 47.19 2.04E-03 20 8.75E-08 -1.21E-07 2.60E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 1 125 136.75 299.53 47.68 1.99E-03 20 6.99E-08 -1.26E-07 2.55E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 1 130 136.8 303.14 38.73 3.11E-03 20 1.41E-07 -2.20E-07 3.37E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 1 135 136.85 304.75 39.33 4.35E-03 20 2.04E-07 -3.00E-07 4.78E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 1 140 136.9 295.7 43.22 3.91E-03 20 1.31E-07 -2.78E-07 4.64E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 1 145 136.95 303.37 48.04 2.41E-03 20 9.41E-08 -1.46E-07 3.11E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 1 150 137 323.24 45.19 1.70E-03 20 1.02E-07 -7.77E-08 2.09E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 2 0 137 70.32 62.01 4.24E-04 20 7.12E-09 2.03E-08 6.50E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 2 5 137.05 304.23 51.39 1.56E-03 20 5.82E-08 -8.75E-08 2.12E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 2 10 137.1 299.23 39.59 3.32E-03 20 1.33E-07 -2.42E-07 3.67E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 2 15 137.15 301.59 43.07 4.40E-03 20 1.79E-07 -2.97E-07 5.21E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 2 20 137.2 296.48 45.94 4.73E-03 20 1.56E-07 -3.19E-07 5.89E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 2 25 137.25 299.32 36.17 6.75E-03 20 2.83E-07 -5.15E-07 6.91E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 2 30 137.3 304.12 29.96 9.70E-03 20 5.00E-07 -7.55E-07 8.40E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 2 35 137.35 308.86 26.88 1.27E-02 20 7.52E-07 -9.54E-07 9.93E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 2 40 137.4 318.1 28.81 1.29E-02 20 8.90E-07 -8.16E-07 1.07E-06 4/2/97 Yes Yes 0 172 1063 C 16 H 2 45 137.45 330.27 32.32 9.28E-03 20 7.22E-07 -4.22E-07 8.60E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 2 50 137.5 338.26 40.34 3.59E-03 20 2.69E-07 -1.10E-07 4.03E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 2 55 137.55 331.57 54.01 1.34E-03 20 7.32E-08 -4.05E-08 1.87E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 2 60 137.6 319.81 84.95 5.05E-04 20 3.60E-09 -3.11E-09 8.71E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 2 65 137.65 332.52 40.73 6.11E-04 20 4.36E-08 -2.32E-08 6.91E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 2 70 137.7 323.68 33.9 1.58E-03 20 1.12E-07 -8.43E-08 1.53E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 2 75 137.75 325.89 33.67 2.71E-03 20 1.98E-07 -1.37E-07 2.60E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 2 80 137.8 325.29 33.91 3.61E-03 20 2.61E-07 -1.85E-07 3.49E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 2 85 137.85 323.94 36.56 3.29E-03 20 2.26E-07 -1.69E-07 3.39E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 2 90 137.9 323.95 35.33 3.11E-03 20 2.17E-07 -1.62E-07 3.11E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 2 95 137.95 320.37 25.03 4.83E-03 20 3.57E-07 -3.03E-07 3.54E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 2 100 138 324.47 24.05 4.90E-03 20 3.86E-07 -2.82E-07 3.46E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 2 105 138.05 334.88 28.05 3.77E-03 20 3.20E-07 -1.53E-07 3.08E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 2 110 138.1 331.05 31.48 2.41E-03 20 1.91E-07 -1.08E-07 2.18E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 2 115 138.15 323.72 26.71 1.81E-03 20 1.38E-07 -1.04E-07 1.41E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 2 120 138.2 324.33 25.38 1.50E-03 20 1.17E-07 -8.57E-08 1.12E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 2 125 138.25 331.83 32.73 8.94E-04 20 7.03E-08 -3.85E-08 8.38E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 2 130 138.3 334.17 45.38 4.42E-04 20 2.96E-08 -1.47E-08 5.45E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 2 135 138.35 337.98 23.03 5.08E-04 20 4.60E-08 -1.90E-08 3.45E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 2 140 138.4 336.54 10.57 1.24E-03 20 1.18E-07 -5.24E-08 3.93E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 2 145 138.45 333.45 8.79 1.52E-03 20 1.43E-07 -7.29E-08 4.03E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 2 150 138.5 332.09 12.96 8.18E-04 20 7.47E-08 -4.05E-08 3.18E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 3 0 138.5 339.02 -2.11 1.11E-04 20 1.09E-08 -4.29E-09 -7.05E-10 4/2/97 Yes Yes 0 172 1063 C 16 H 3 5 138.55 334.48 7.35 6.73E-04 20 6.39E-08 -3.12E-08 1.49E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 3 10 138.6 330.91 11.75 7.26E-04 20 6.58E-08 -3.75E-08 2.56E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 3 15 138.65 329.39 13.8 6.48E-04 20 5.75E-08 -3.48E-08 2.68E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 3 20 138.7 336.99 15.88 5.91E-04 20 5.55E-08 -2.41E-08 2.80E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 3 25 138.75 348.04 19.6 5.42E-04 20 5.30E-08 -1.15E-08 3.15E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 3 30 138.8 359.89 24.25 4.71E-04 20 4.55E-08 -9.18E-11 3.35E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 3 35 138.85 352.79 33.4 3.62E-04 20 3.18E-08 -4.12E-09 3.46E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 3 40 138.9 352.32 37.52 4.21E-04 20 3.51E-08 -4.84E-09 4.44E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 3 45 138.95 356.15 35.33 6.07E-04 20 5.24E-08 -3.61E-09 6.09E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 3 50 139 0.68 30.66 7.58E-04 20 6.91E-08 8.44E-10 6.70E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 3 55 139.05 356.87 24.44 9.86E-04 20 9.50E-08 -5.32E-09 7.07E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 3 60 139.1 6.36 29.81 8.36E-04 20 7.65E-08 8.72E-09 7.21E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 3 65 139.15 17.29 34.83 6.51E-04 20 5.41E-08 1.72E-08 6.45E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 3 70 139.2 11.44 41.26 4.98E-04 20 3.89E-08 8.05E-09 5.69E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 3 75 139.25 7.34 35.86 7.37E-04 20 6.28E-08 8.27E-09 7.48E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 3 80 139.3 4.49 40.77 8.14E-04 20 6.52E-08 5.23E-09 9.21E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 3 85 139.35 0.57 53.09 8.15E-04 20 5.19E-08 5.24E-10 1.13E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 3 90 139.4 21.85 41.24 1.38E-03 20 1.03E-07 4.20E-08 1.58E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 3 95 139.45 32.16 34.99 2.29E-03 20 1.69E-07 1.08E-07 2.28E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 3 100 139.5 45.2 24 2.61E-03 20 1.78E-07 1.84E-07 1.84E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 3 105 139.55 45.18 18.67 2.28E-03 20 1.61E-07 1.66E-07 1.26E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 3 110 139.6 45.6 28.54 1.06E-03 20 6.88E-08 7.19E-08 8.74E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 3 115 139.65 52.5 46.47 5.21E-04 20 2.32E-08 3.09E-08 6.55E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 3 120 139.7 44.95 63.43 4.79E-04 20 1.61E-08 1.64E-08 7.43E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 3 125 139.75 3.85 69.05 5.24E-04 20 1.98E-08 1.36E-09 8.48E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 3 130 139.8 16.09 65.75 6.42E-04 20 2.69E-08 7.93E-09 1.01E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 3 135 139.85 5.24 65.79 9.70E-04 20 4.20E-08 3.94E-09 1.53E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 3 140 139.9 353.01 48.61 1.60E-03 20 1.11E-07 -1.39E-08 2.08E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 3 145 139.95 3.37 39.25 2.32E-03 20 1.90E-07 1.15E-08 2.55E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 3 150 140 18.4 53.84 1.44E-03 20 8.58E-08 2.92E-08 2.02E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 4 0 140 5.47 26.61 2.83E-04 20 2.67E-08 2.61E-09 2.20E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 4 5 140.05 3.17 31.03 1.54E-03 20 1.40E-07 7.93E-09 1.38E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 4 10 140.1 7.73 46.91 1.48E-03 20 1.07E-07 1.48E-08 1.88E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 4 15 140.15 35.97 52.38 1.41E-03 20 7.38E-08 5.48E-08 1.94E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 4 20 140.2 40.15 58.18 1.54E-03 20 6.60E-08 5.69E-08 2.27E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 4 25 140.25 39.92 62.84 1.52E-03 20 5.63E-08 4.82E-08 2.34E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 4 30 140.3 70.11 55.95 1.47E-03 20 2.96E-08 8.37E-08 2.11E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 4 35 140.35 283.48 24.92 1.89E-03 20 4.24E-08 -1.81E-07 1.38E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 4 40 140.4 277.82 4.76 6.12E-03 20 8.81E-08 -6.56E-07 8.80E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 4 45 140.45 285.85 8.57 3.00E-03 20 8.58E-08 -3.09E-07 7.74E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 4 50 140.5 342.57 73.01 7.27E-04 20 2.15E-08 -6.90E-09 1.21E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 4 55 140.55 47.7 65.24 9.64E-04 20 2.88E-08 3.24E-08 1.52E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 4 60 140.6 13.56 65.13 9.26E-04 20 4.01E-08 9.90E-09 1.46E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 4 65 140.65 13.45 48.18 7.38E-04 20 5.07E-08 1.24E-08 9.53E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 4 70 140.7 7.17 17.94 7.73E-04 20 7.74E-08 9.96E-09 4.13E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 4 75 140.75 346.39 35.29 6.16E-04 20 5.18E-08 -1.28E-08 6.17E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 4 80 140.8 12.49 51.38 4.40E-04 20 2.85E-08 6.44E-09 5.96E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 4 85 140.85 25.43 -1.71 6.96E-04 20 6.66E-08 3.24E-08 -3.59E-09 4/2/97 Yes Yes 0 172 1063 C 16 H 4 90 140.9 43.67 -12.99 1.03E-03 20 7.68E-08 7.50E-08 -4.00E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 4 95 140.95 52.59 -14.9 1.23E-03 20 7.69E-08 1.03E-07 -5.50E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 4 100 141 51.46 -19.84 8.83E-04 20 5.49E-08 7.05E-08 -5.20E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 4 105 141.05 82.57 -24.89 7.10E-04 20 8.84E-09 6.93E-08 -5.18E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 4 110 141.1 88.45 -30.04 9.45E-04 20 2.34E-09 8.87E-08 -8.20E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 4 115 141.15 72.58 -56.9 1.05E-03 20 1.83E-08 5.96E-08 -1.53E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 4 120 141.2 67.39 -42.99 1.37E-03 20 4.07E-08 1.00E-07 -1.61E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 4 125 141.25 105.56 -55.5 8.63E-04 20 -1.39E-08 5.11E-08 -1.23E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 4 130 141.3 101.36 -42.51 1.14E-03 20 -1.75E-08 8.90E-08 -1.33E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 4 135 141.35 115.26 -40.41 1.25E-03 20 -4.30E-08 9.31E-08 -1.40E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 4 140 141.4 142.28 -28.6 2.73E-03 20 -2.01E-07 1.59E-07 -2.26E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 4 145 141.45 124.1 -32.94 3.93E-03 20 -1.96E-07 2.96E-07 -3.70E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 4 150 141.5 115.94 -39.74 2.76E-03 20 -9.83E-08 2.07E-07 -3.06E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 5 0 141.5 180.07 -35.63 6.80E-04 20 -5.86E-08 -7.21E-11 -6.87E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 5 5 141.55 167.54 -27.44 1.42E-03 20 -1.31E-07 2.96E-08 -1.14E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 5 10 141.6 146.87 -30.83 5.25E-04 20 -4.01E-08 2.67E-08 -4.67E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 5 15 141.65 126.64 -12.16 5.14E-04 20 -3.18E-08 4.37E-08 -1.88E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 5 20 141.7 144.66 -24.15 1.17E-03 20 -9.22E-08 6.69E-08 -8.28E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 5 25 141.75 146.66 -30.91 4.82E-04 20 -3.66E-08 2.46E-08 -4.29E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 5 30 141.8 356.55 -3.15 3.01E-04 20 3.19E-08 -1.97E-09 -2.87E-09 4/2/97 Yes Yes 0 172 1063 C 16 H 5 35 141.85 351.2 9.22 9.40E-04 20 9.73E-08 -1.54E-08 2.61E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 5 40 141.9 202.47 3.5 1.19E-03 20 -1.16E-07 -4.91E-08 1.25E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 5 45 141.95 178.76 -5.56 5.53E-03 20 -5.83E-07 1.29E-08 -9.28E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 5 50 142 159.65 -5.53 9.13E-03 20 -9.04E-07 3.43E-07 -1.53E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 5 55 142.05 159.56 0.92 8.44E-03 20 -8.39E-07 3.20E-07 2.35E-08 4/2/97 Yes Yes 0 172 1063 C 16 H 5 60 142.1 142.44 25.75 6.48E-03 20 -4.91E-07 3.86E-07 4.88E-07 4/2/97 Yes Yes 0 172 1063 C 16 H 5 65 142.15 157.49 30.29 6.74E-03 20 -5.70E-07 2.42E-07 5.90E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 1 0 142.4 9.98 84.9 1.38E-02 20 1.28E-07 2.30E-08 2.38E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 1 5 142.45 204.73 61.01 4.34E-02 20 -2.03E-06 -9.54E-07 6.58E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 1 10 142.5 258.28 76.89 2.96E-02 20 -1.45E-07 -7.13E-07 5.00E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 1 15 142.55 14.18 38.69 1.44E-02 20 1.15E-06 2.98E-07 1.56E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 1 20 142.6 19.73 -0.32 1.62E-02 20 1.62E-06 5.94E-07 -1.58E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 1 25 142.65 66.96 -2.44 2.59E-02 20 1.07E-06 2.58E-06 -1.91E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 1 30 142.7 62.69 -27.78 4.04E-02 20 1.74E-06 3.44E-06 -3.26E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 1 35 142.75 47.42 -30.12 5.62E-02 20 3.49E-06 3.88E-06 -4.89E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 1 40 142.8 45.65 -33.35 4.20E-02 20 2.60E-06 2.72E-06 -4.01E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 1 45 142.85 53.54 -45.47 2.43E-02 20 1.08E-06 1.49E-06 -3.01E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 1 50 142.9 55.78 -42.99 2.55E-02 20 1.11E-06 1.67E-06 -3.01E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 1 55 142.95 54.22 -43.86 2.50E-02 20 1.12E-06 1.59E-06 -3.01E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 1 60 143 61.28 -55.05 2.07E-02 20 6.06E-07 1.13E-06 -2.95E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 1 65 143.05 53.97 -56.13 2.28E-02 20 7.94E-07 1.12E-06 -3.29E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 1 70 143.1 40.16 -40.06 3.24E-02 20 2.01E-06 1.73E-06 -3.61E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 1 75 143.15 34.3 -27.92 3.66E-02 20 2.84E-06 1.98E-06 -2.97E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 1 80 143.2 39.78 -31.64 2.15E-02 20 1.49E-06 1.27E-06 -1.95E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 1 85 143.25 59.17 -48.99 1.39E-02 20 4.96E-07 8.49E-07 -1.82E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 1 90 143.3 45.85 -60.82 1.76E-02 20 6.34E-07 6.68E-07 -2.66E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 1 95 143.35 36.02 -54.85 1.98E-02 20 9.76E-07 7.25E-07 -2.80E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 1 100 143.4 53.51 -44.06 2.60E-02 20 1.18E-06 1.63E-06 -3.13E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 1 105 143.45 57.12 -35.45 3.72E-02 20 1.74E-06 2.76E-06 -3.74E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 1 110 143.5 55.63 -36.83 3.41E-02 20 1.63E-06 2.44E-06 -3.54E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 1 115 143.55 60.02 -44 2.53E-02 20 9.64E-07 1.71E-06 -3.05E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 1 120 143.6 69.33 -46.62 2.10E-02 20 5.40E-07 1.46E-06 -2.65E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 1 125 143.65 66.06 -49.18 1.76E-02 20 4.95E-07 1.14E-06 -2.31E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 1 130 143.7 55.23 -48.39 1.91E-02 20 7.66E-07 1.13E-06 -2.47E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 1 135 143.75 53.64 -44.49 2.21E-02 20 9.93E-07 1.38E-06 -2.69E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 1 140 143.8 51.08 -28.9 3.61E-02 20 2.11E-06 2.67E-06 -3.02E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 1 145 143.85 48.11 -18.04 4.88E-02 20 3.28E-06 3.75E-06 -2.62E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 1 150 143.9 46.9 -15.89 4.11E-02 20 2.87E-06 3.13E-06 -1.95E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 2 0 143.9 55.95 -60.62 3.57E-03 20 1.04E-07 1.58E-07 -5.40E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 2 5 143.95 51.67 -25.09 2.10E-02 20 1.25E-06 1.62E-06 -1.54E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 2 10 144 52.22 -29.7 2.85E-02 20 1.61E-06 2.12E-06 -2.45E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 2 15 144.05 46.35 -33.19 3.18E-02 20 1.95E-06 2.09E-06 -3.02E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 2 20 144.1 36.24 -40.2 2.54E-02 20 1.66E-06 1.25E-06 -2.85E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 2 25 144.15 36.39 -43.96 2.22E-02 20 1.36E-06 1.03E-06 -2.67E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 2 30 144.2 36.7 -45.92 2.07E-02 20 1.22E-06 9.32E-07 -2.57E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 2 35 144.25 45.51 -47.84 2.10E-02 20 1.05E-06 1.09E-06 -2.70E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 2 40 144.3 47.24 -39.62 3.13E-02 20 1.74E-06 1.92E-06 -3.46E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 2 45 144.35 31.95 -34.79 2.33E-02 20 1.73E-06 1.10E-06 -2.31E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 2 50 144.4 330.61 -62.55 3.95E-03 20 1.68E-07 -9.70E-08 -6.08E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 2 55 144.45 200.7 -44.06 1.51E-03 20 -1.08E-07 -4.17E-08 -1.82E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 2 60 144.5 86.28 -52.93 8.10E-04 20 3.36E-09 5.29E-08 -1.12E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 2 65 144.55 61.13 -34.86 8.10E-04 20 3.40E-08 6.31E-08 -8.02E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 2 70 144.6 66.27 -28.65 6.72E-04 20 2.52E-08 5.85E-08 -5.58E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 2 75 144.65 84.17 -27.57 6.42E-04 20 6.14E-09 6.14E-08 -5.15E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 2 80 144.7 51.42 -29.83 1.27E-03 20 7.30E-08 9.36E-08 -1.10E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 2 85 144.75 34.26 -22.52 1.55E-03 20 1.25E-07 8.72E-08 -1.03E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 2 90 144.8 41.74 -26.13 1.64E-03 20 1.16E-07 1.06E-07 -1.25E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 2 95 144.85 37.96 -27.72 1.89E-03 20 1.40E-07 1.11E-07 -1.52E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 2 100 144.9 43.44 -25.64 1.76E-03 20 1.22E-07 1.18E-07 -1.32E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 2 105 144.95 45.83 -26.01 1.59E-03 20 1.06E-07 1.11E-07 -1.21E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 2 110 145 45.16 -19.93 1.43E-03 20 1.01E-07 1.04E-07 -8.46E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 2 115 145.05 68.57 -16.03 9.21E-04 20 3.43E-08 8.94E-08 -4.41E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 2 120 145.1 84.23 -16.69 1.09E-03 20 1.11E-08 1.12E-07 -5.41E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 2 125 145.15 83.48 -23.03 1.15E-03 20 1.28E-08 1.14E-07 -7.83E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 2 130 145.2 71.3 -25.69 1.16E-03 20 3.55E-08 1.07E-07 -8.71E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 2 135 145.25 63.78 -21.62 1.25E-03 20 5.45E-08 1.13E-07 -8.00E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 2 140 145.3 64.65 -16.19 1.15E-03 20 5.01E-08 1.08E-07 -5.56E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 2 145 145.35 71.37 -11.47 1.07E-03 20 3.56E-08 1.08E-07 -3.70E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 2 150 145.4 79.75 -7.14 9.86E-04 20 1.85E-08 1.04E-07 -2.12E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 3 0 145.4 253.22 -62.23 6.38E-05 20 -9.11E-10 -3.09E-09 -9.79E-09 4/2/97 Yes Yes 0 172 1063 C 17 H 3 5 145.45 73.59 -37.19 3.24E-04 20 7.74E-09 2.69E-08 -3.40E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 3 10 145.5 66.41 -31.57 8.54E-04 20 3.09E-08 7.24E-08 -7.75E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 3 15 145.55 34.14 -46.21 7.93E-04 20 4.82E-08 3.34E-08 -9.93E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 3 20 145.6 22.02 -41.35 6.99E-04 20 5.16E-08 2.13E-08 -8.01E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 3 25 145.65 19.93 -27.08 6.03E-04 20 5.36E-08 1.99E-08 -4.76E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 3 30 145.7 37.18 -9.37 2.46E-04 20 2.05E-08 1.59E-08 -6.95E-09 4/2/97 Yes Yes 0 172 1063 C 17 H 3 35 145.75 124.5 17.68 1.15E-04 20 -6.59E-09 9.80E-09 6.06E-09 4/2/97 Yes Yes 0 172 1063 C 17 H 3 40 145.8 102.09 20.15 8.78E-05 20 -1.83E-09 8.74E-09 5.24E-09 4/2/97 Yes Yes 0 172 1063 C 17 H 3 45 145.85 84.76 25.36 9.46E-05 20 8.28E-10 9.23E-09 7.02E-09 4/2/97 Yes Yes 0 172 1063 C 17 H 3 50 145.9 123.41 23.35 8.39E-05 20 -4.50E-09 6.97E-09 5.77E-09 4/2/97 Yes Yes 0 172 1063 C 17 H 3 55 145.95 164.58 10.12 4.58E-05 20 -4.61E-09 1.30E-09 1.39E-09 4/2/97 Yes Yes 0 172 1063 C 17 H 3 60 146 22.97 -51.68 1.04E-04 20 6.29E-09 2.72E-09 -1.41E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 3 65 146.05 32.83 -23.55 5.83E-04 20 4.76E-08 3.14E-08 -4.04E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 3 70 146.1 37.02 -23.4 6.29E-04 20 4.89E-08 3.77E-08 -4.33E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 3 75 146.15 46.82 -37.64 5.09E-04 20 2.92E-08 3.19E-08 -5.38E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 3 80 146.2 45.78 -34.09 8.62E-04 20 5.28E-08 5.55E-08 -8.38E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 3 85 146.25 41.47 -40.13 6.89E-04 20 4.18E-08 3.78E-08 -7.70E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 3 90 146.3 46.52 -42.13 5.50E-04 20 2.98E-08 3.21E-08 -6.40E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 3 95 146.35 60.97 -41.21 5.25E-04 20 2.03E-08 3.74E-08 -5.99E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 3 100 146.4 39.46 -56.8 3.49E-04 20 1.56E-08 1.32E-08 -5.06E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 3 105 146.45 45.95 -51.23 2.02E-04 20 9.32E-09 9.85E-09 -2.73E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 3 110 146.5 66.58 -37.73 1.51E-04 20 5.04E-09 1.19E-08 -1.60E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 3 115 146.55 89.84 -65.45 4.75E-05 20 5.88E-12 2.14E-09 -7.49E-09 4/2/97 Yes Yes 0 172 1063 C 17 H 3 120 146.6 61.16 -9.54 3.82E-05 20 1.93E-09 3.58E-09 -1.10E-09 4/2/97 Yes Yes 0 172 1063 C 17 H 3 125 146.65 53.31 8.6 1.36E-04 20 8.52E-09 1.17E-08 3.53E-09 4/2/97 Yes Yes 0 172 1063 C 17 H 3 130 146.7 68.07 17.47 3.07E-04 20 1.16E-08 2.95E-08 1.60E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 3 135 146.75 74.85 41.38 3.03E-04 20 6.31E-09 2.38E-08 3.47E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 3 140 146.8 79.08 63.69 3.44E-04 20 3.06E-09 1.62E-08 5.35E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 3 145 146.85 104.51 58.45 3.86E-04 20 -5.37E-09 2.12E-08 5.70E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 3 150 146.9 144.96 52.87 2.25E-04 20 -1.18E-08 8.45E-09 3.11E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 4 0 146.9 17.14 26.13 1.64E-04 20 1.50E-08 4.72E-09 1.25E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 4 5 146.95 54.43 44.94 4.79E-04 20 2.09E-08 2.99E-08 5.87E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 4 10 147 144.36 69.63 4.12E-04 20 -1.24E-08 9.06E-09 6.69E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 4 15 147.05 180.63 12.52 3.27E-04 20 -3.39E-08 -3.81E-10 1.23E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 4 20 147.1 55.29 -31.62 2.01E-04 20 1.03E-08 1.52E-08 -1.83E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 4 25 147.15 125.7 -67.38 2.60E-04 20 -6.19E-09 8.81E-09 -4.16E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 4 30 147.2 68.32 -41.11 4.34E-04 20 1.28E-08 3.30E-08 -4.95E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 4 35 147.25 33.68 -37.62 3.38E-04 20 2.36E-08 1.61E-08 -3.57E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 4 40 147.3 53.32 -59.08 2.81E-04 20 9.16E-09 1.26E-08 -4.19E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 4 45 147.35 32.99 -75.05 3.36E-04 20 7.70E-09 5.11E-09 -5.62E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 4 50 147.4 68.39 -45.92 5.19E-04 20 1.41E-08 3.64E-08 -6.46E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 4 55 147.45 70.46 -47.35 5.11E-04 20 1.23E-08 3.54E-08 -6.52E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 4 60 147.5 60.54 -45.31 6.25E-04 20 2.29E-08 4.15E-08 -7.70E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 4 65 147.55 50.3 -33.91 9.19E-04 20 5.17E-08 6.37E-08 -8.89E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 4 70 147.6 53 -41.84 6.78E-04 20 3.23E-08 4.38E-08 -7.84E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 4 75 147.65 47.9 -53.5 6.86E-04 20 2.90E-08 3.28E-08 -9.56E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 4 80 147.7 28.2 -51.86 7.89E-04 20 4.56E-08 2.50E-08 -1.08E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 4 85 147.75 38.29 -64.02 8.46E-04 20 3.08E-08 2.49E-08 -1.32E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 4 90 147.8 77.51 -52.52 1.91E-03 20 2.66E-08 1.23E-07 -2.62E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 4 95 147.85 59.33 -34.54 2.88E-03 20 1.28E-07 2.21E-07 -2.83E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 4 100 147.9 54.6 -18.15 3.70E-03 20 2.16E-07 3.11E-07 -2.00E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 4 105 147.95 45.77 -19.26 1.65E-03 20 1.15E-07 1.21E-07 -9.43E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 4 110 148 27.95 -46.74 9.57E-04 20 6.14E-08 3.33E-08 -1.21E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 4 115 148.05 38.9 -41.35 1.44E-03 20 8.92E-08 7.36E-08 -1.65E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 4 120 148.1 35.92 -35.65 1.54E-03 20 1.08E-07 7.98E-08 -1.56E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 4 125 148.15 38.99 -24.52 1.31E-03 20 9.86E-08 8.16E-08 -9.46E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 4 130 148.2 48.52 -26.25 7.94E-04 20 5.01E-08 5.79E-08 -6.09E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 4 135 148.25 51.4 -34.99 8.72E-04 20 4.73E-08 6.05E-08 -8.66E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 4 140 148.3 42.15 -34.58 1.26E-03 20 8.16E-08 7.55E-08 -1.24E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 4 145 148.35 39.51 -23.68 2.12E-03 20 1.59E-07 1.34E-07 -1.48E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 4 150 148.4 38.83 -17.47 1.90E-03 20 1.49E-07 1.23E-07 -9.87E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 5 0 148.4 344.05 -75.37 2.60E-04 20 6.69E-09 -1.96E-09 -4.36E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 5 5 148.45 52.54 -33.77 1.28E-03 20 6.87E-08 9.17E-08 -1.23E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 5 10 148.5 61.3 -35.38 2.33E-03 20 9.69E-08 1.81E-07 -2.34E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 5 15 148.55 56.51 -28.44 4.59E-03 20 2.36E-07 3.65E-07 -3.79E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 5 20 148.6 55.42 -29.99 2.79E-03 20 1.46E-07 2.16E-07 -2.42E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 5 25 148.65 80.72 -41.78 1.91E-03 20 2.43E-08 1.52E-07 -2.20E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 5 30 148.7 75.76 -49.33 1.75E-03 20 2.97E-08 1.20E-07 -2.30E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 5 35 148.75 39.9 -46.49 1.61E-03 20 9.00E-08 7.70E-08 -2.02E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 5 40 148.8 33.63 -37.1 1.52E-03 20 1.07E-07 7.29E-08 -1.59E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 5 45 148.85 55.07 -42.55 1.26E-03 20 5.64E-08 8.26E-08 -1.48E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 5 50 148.9 66.1 -47.42 1.27E-03 20 3.69E-08 8.52E-08 -1.62E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 5 55 148.95 45.44 -45.29 1.09E-03 20 5.72E-08 5.94E-08 -1.35E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 5 60 149 24.54 -47.06 8.37E-04 20 5.50E-08 2.57E-08 -1.06E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 5 65 149.05 28.26 -41.74 7.72E-04 20 5.39E-08 2.96E-08 -8.91E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 5 70 149.1 44.14 -37.05 7.19E-04 20 4.37E-08 4.33E-08 -7.51E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 5 75 149.15 43.67 -38.98 6.88E-04 20 4.10E-08 4.01E-08 -7.50E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 5 80 149.2 34.31 -39.17 5.54E-04 20 3.76E-08 2.62E-08 -6.06E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 5 85 149.25 39.2 -43.48 4.60E-04 20 2.74E-08 2.29E-08 -5.49E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 5 90 149.3 35.69 -44.82 4.73E-04 20 2.89E-08 2.12E-08 -5.79E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 5 95 149.35 45.89 -33.08 7.23E-04 20 4.47E-08 4.72E-08 -6.84E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 5 100 149.4 49.01 -23.31 8.15E-04 20 5.21E-08 6.13E-08 -5.59E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 5 105 149.45 51.84 -28.98 3.35E-04 20 1.92E-08 2.50E-08 -2.82E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 5 110 149.5 55.98 -53.1 1.68E-04 20 6.00E-09 9.08E-09 -2.33E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 5 115 149.55 35.95 -33.73 2.35E-04 20 1.68E-08 1.25E-08 -2.27E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 5 120 149.6 31.33 -17.17 2.55E-04 20 2.21E-08 1.38E-08 -1.31E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 5 125 149.65 36.93 -1.65 2.27E-04 20 1.93E-08 1.48E-08 -1.13E-09 4/2/97 Yes Yes 0 172 1063 C 17 H 5 130 149.7 33.56 27.37 1.60E-04 20 1.26E-08 8.53E-09 1.28E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 5 135 149.75 323.28 61.76 1.56E-04 20 6.27E-09 -4.78E-09 2.38E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 5 140 149.8 332.58 62.4 1.54E-04 20 6.70E-09 -3.55E-09 2.36E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 5 145 149.85 7.28 35.71 2.00E-04 20 1.71E-08 2.24E-09 2.03E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 5 150 149.9 24.4 34.07 2.18E-04 20 1.74E-08 8.09E-09 2.12E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 6 0 149.9 261.7 -69.59 6.36E-05 20 -3.40E-10 -2.38E-09 -1.03E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 6 5 149.95 35.21 -25.99 4.27E-04 20 3.33E-08 2.40E-08 -3.24E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 6 10 150 36.02 -29.24 5.36E-04 20 4.01E-08 2.98E-08 -4.54E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 6 15 150.05 27.88 -61.32 3.91E-04 20 1.76E-08 9.53E-09 -5.95E-08 4/2/97 Yes Yes 0 172 1063 C 17 H 6 20 150.1 56.45 -54.9 9.61E-04 20 3.24E-08 5.00E-08 -1.36E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 6 25 150.15 59.49 -38.2 2.30E-03 20 9.73E-08 1.69E-07 -2.46E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 6 30 150.2 68.12 -33.51 2.34E-03 20 7.70E-08 1.96E-07 -2.24E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 6 35 150.25 90.32 -55.41 1.13E-03 20 -3.79E-10 6.98E-08 -1.62E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 6 40 150.3 112.82 -65.81 1.25E-03 20 -2.11E-08 5.13E-08 -1.98E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 6 45 150.35 72.18 -41.93 2.74E-03 20 6.62E-08 2.10E-07 -3.17E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 6 50 150.4 58.51 -24.11 5.45E-03 20 2.76E-07 4.60E-07 -3.86E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 6 55 150.45 57.9 -15.19 6.74E-03 20 3.67E-07 5.98E-07 -3.06E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 6 60 150.5 57.44 -17.62 2.66E-03 20 1.45E-07 2.32E-07 -1.40E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 6 65 150.55 105.57 -57.4 8.78E-04 20 -1.35E-08 4.94E-08 -1.28E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 6 70 150.6 76.7 -37.42 2.30E-03 20 4.45E-08 1.92E-07 -2.42E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 6 75 150.65 57.24 -39.52 2.76E-03 20 1.22E-07 1.94E-07 -3.04E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 6 80 150.7 14.45 -56.4 1.78E-03 20 1.01E-07 2.67E-08 -2.58E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 6 85 150.75 15.58 -57.44 1.47E-03 20 8.07E-08 2.30E-08 -2.15E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 6 90 150.8 15.56 -56.06 1.86E-03 20 1.06E-07 3.03E-08 -2.68E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 6 95 150.85 33 -38.68 3.74E-03 20 2.60E-07 1.73E-07 -4.06E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 6 100 150.9 49.04 -27.99 5.97E-03 20 3.67E-07 4.32E-07 -4.86E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 6 105 150.95 58.74 -28.78 4.35E-03 20 2.10E-07 3.54E-07 -3.63E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 6 110 151 57.05 -50.31 2.05E-03 20 7.56E-08 1.19E-07 -2.74E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 6 115 151.05 68.71 -56.27 3.14E-03 20 6.71E-08 1.76E-07 -4.52E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 6 120 151.1 66.11 -37.54 7.93E-03 20 2.70E-07 6.24E-07 -8.38E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 6 125 151.15 56.34 -38.75 7.96E-03 20 3.65E-07 5.60E-07 -8.64E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 6 130 151.2 52.44 -52.97 5.82E-03 20 2.27E-07 3.01E-07 -8.05E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 6 135 151.25 57.07 -55.85 7.94E-03 20 2.57E-07 4.06E-07 -1.14E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 6 140 151.3 59.56 -57.98 1.12E-02 20 3.19E-07 5.55E-07 -1.64E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 6 145 151.35 59.98 -42.63 2.26E-02 20 8.82E-07 1.56E-06 -2.65E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 6 150 151.4 54.36 -35.7 2.37E-02 20 1.19E-06 1.69E-06 -2.39E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 7 0 151.4 74.9 -70.05 3.16E-03 20 2.98E-08 1.13E-07 -5.15E-07 4/2/97 Yes Yes 0 172 1063 C 17 H 7 5 151.45 59.47 -42.23 1.30E-02 20 5.20E-07 9.02E-07 -1.52E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 7 10 151.5 52.71 -46.92 1.71E-02 20 7.50E-07 1.01E-06 -2.17E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 7 15 151.55 49.4 -45.63 2.03E-02 20 9.78E-07 1.17E-06 -2.51E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 7 20 151.6 46.02 -41.31 2.06E-02 20 1.14E-06 1.21E-06 -2.36E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 7 25 151.65 44.03 -43.84 1.68E-02 20 9.26E-07 9.16E-07 -2.02E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 7 30 151.7 40.04 -39.54 1.50E-02 20 9.41E-07 8.08E-07 -1.66E-06 4/2/97 Yes Yes 0 172 1063 C 17 H 7 35 151.75 42.53 -36.11 1.29E-02 20 8.14E-07 7.63E-07 -1.32E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 1 0 151.9 60.11 -10.74 1.02E-03 20 5.31E-08 9.44E-08 -3.30E-08 4/2/97 Yes Yes 0 172 1063 C 18 H 1 5 151.95 338.1 39.78 2.06E-03 20 1.56E-07 -6.41E-08 2.29E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 1 10 152 234.32 29.75 5.78E-03 20 -3.10E-07 -4.42E-07 4.97E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 1 15 152.05 251.2 24.82 6.88E-03 20 -2.14E-07 -6.42E-07 5.01E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 1 20 152.1 31.8 1.84 6.96E-02 20 6.27E-06 3.97E-06 3.88E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 1 25 152.15 24.37 26.48 5.58E-02 20 4.82E-06 2.23E-06 4.31E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 1 30 152.2 218.57 35.22 1.56E-02 20 -1.06E-06 -8.60E-07 1.56E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 1 35 152.25 292.12 74.95 3.82E-03 20 3.97E-08 -9.98E-08 6.40E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 1 40 152.3 26.16 34.97 1.20E-02 20 9.35E-07 4.70E-07 1.19E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 1 45 152.35 335.26 56.44 1.70E-02 20 9.05E-07 -4.27E-07 2.46E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 1 50 152.4 337.68 43.67 1.48E-02 20 1.05E-06 -4.42E-07 1.77E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 1 55 152.45 292.7 32.4 3.04E-02 20 1.05E-06 -2.56E-06 2.82E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 1 60 152.5 50.43 75.78 1.53E-02 20 2.55E-07 3.15E-07 2.58E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 1 65 152.55 53.01 31.62 4.42E-02 20 2.40E-06 3.26E-06 4.02E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 1 70 152.6 319.64 77.74 3.07E-02 20 5.27E-07 -4.58E-07 5.20E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 1 75 152.65 184.86 76.92 2.16E-02 20 -5.18E-07 -4.51E-08 3.66E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 1 80 152.7 349.98 38.01 5.95E-02 20 4.90E-06 -8.84E-07 6.35E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 1 85 152.75 343.74 64.88 1.22E-01 20 5.27E-06 -1.57E-06 1.91E-05 4/2/97 Yes Yes 0 172 1063 C 18 H 1 90 152.8 177.06 60.27 5.33E-02 20 -2.80E-06 1.47E-07 8.02E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 1 95 152.85 329.82 65.18 2.19E-02 20 8.43E-07 -5.01E-07 3.45E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 1 100 152.9 325.65 75.08 2.63E-02 20 5.94E-07 -4.15E-07 4.41E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 1 105 152.95 36.4 39.08 2.20E-02 20 1.46E-06 1.10E-06 2.40E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 1 110 153 40.61 35.27 3.48E-02 20 2.29E-06 2.01E-06 3.49E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 1 115 153.05 6.75 65.36 1.23E-02 20 5.38E-07 6.52E-08 1.93E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 1 120 153.1 336.01 56.38 9.02E-03 20 4.84E-07 -2.20E-07 1.30E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 1 125 153.15 355.09 43.82 7.82E-03 20 5.96E-07 -5.24E-08 9.39E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 1 130 153.2 332.42 16.85 1.64E-02 20 1.47E-06 -7.86E-07 8.22E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 1 135 153.25 327.39 29.92 1.14E-02 20 8.84E-07 -5.78E-07 9.87E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 1 140 153.3 14.93 21.28 1.50E-02 20 1.43E-06 3.90E-07 9.43E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 1 145 153.35 8.28 31.21 1.75E-02 20 1.57E-06 2.34E-07 1.57E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 2 0 153.4 238.75 58.11 2.12E-03 20 -6.15E-08 -1.04E-07 3.11E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 2 5 153.45 348.91 51.15 7.70E-03 20 5.03E-07 -1.01E-07 1.04E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 2 10 153.5 11.04 37.22 2.16E-02 20 1.79E-06 3.57E-07 2.26E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 2 15 153.55 334.61 58.83 2.90E-02 20 1.44E-06 -6.99E-07 4.31E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 2 20 153.6 63.5 81.85 1.95E-02 20 1.30E-07 2.68E-07 3.34E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 2 25 153.65 70.17 43.77 1.10E-02 20 2.86E-07 8.12E-07 1.32E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 2 30 153.7 307.29 43.59 5.54E-03 20 2.58E-07 -3.46E-07 6.62E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 2 35 153.75 332.43 -7.88 6.33E-03 20 5.90E-07 -3.15E-07 -1.50E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 2 40 153.8 359.13 -2.29 5.32E-03 20 5.63E-07 -8.78E-09 -3.69E-08 4/2/97 Yes Yes 0 172 1063 C 18 H 2 45 153.85 29.32 -63.62 9.65E-03 20 3.96E-07 2.28E-07 -1.50E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 2 50 153.9 314.81 -30.22 1.57E-02 20 1.01E-06 -1.04E-06 -1.37E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 2 55 153.95 3.23 -34.61 9.20E-03 20 8.02E-07 4.62E-08 -9.06E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 2 60 154 15.32 -41.24 8.79E-03 20 6.76E-07 1.89E-07 -1.00E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 2 65 154.05 2.6 -33.09 1.06E-02 20 9.37E-07 4.34E-08 -9.99E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 2 70 154.1 355.47 -28.38 1.09E-02 20 1.01E-06 -8.18E-08 -8.95E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 2 75 154.15 349.86 -36.65 8.67E-03 20 7.26E-07 -1.33E-07 -8.97E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 2 80 154.2 4.42 -42.76 9.22E-03 20 7.16E-07 5.65E-08 -1.09E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 2 85 154.25 14.26 -37.31 1.15E-02 20 9.39E-07 2.44E-07 -1.21E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 2 90 154.3 6.87 -22.05 1.61E-02 20 1.57E-06 1.94E-07 -1.05E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 2 95 154.35 0.1 -10.69 2.02E-02 20 2.10E-06 3.64E-09 -6.49E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 2 100 154.4 352.23 -7.54 2.12E-02 20 2.21E-06 -3.08E-07 -4.82E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 2 105 154.45 345.31 -11.08 2.22E-02 20 2.23E-06 -5.99E-07 -7.39E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 2 110 154.5 335.54 -14.61 1.70E-02 20 1.59E-06 -7.39E-07 -7.43E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 2 115 154.55 335.64 -18.73 1.24E-02 20 1.14E-06 -5.26E-07 -6.92E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 2 120 154.6 343.67 -31.51 8.76E-03 20 7.60E-07 -2.28E-07 -7.94E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 2 125 154.65 354.5 -58.82 6.10E-03 20 3.33E-07 -3.28E-08 -9.04E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 2 130 154.7 9.47 -69.13 5.61E-03 20 2.09E-07 3.57E-08 -9.09E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 2 135 154.75 2.56 -61.18 4.85E-03 20 2.48E-07 1.13E-08 -7.37E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 2 140 154.8 0.04 -45.33 4.71E-03 20 3.51E-07 2.20E-10 -5.81E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 2 145 154.85 9.15 -26.98 7.11E-03 20 6.64E-07 1.09E-07 -5.60E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 2 150 154.9 3.12 -13.13 6.13E-03 20 6.32E-07 3.52E-08 -2.41E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 3 0 154.9 277.96 -44.73 9.70E-04 20 1.01E-08 -7.40E-08 -1.18E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 3 5 154.95 346.23 -17.44 5.79E-03 20 5.69E-07 -1.43E-07 -3.01E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 3 10 155 3.78 -14.83 8.64E-03 20 8.84E-07 5.97E-08 -3.84E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 3 15 155.05 9.95 -25.15 9.10E-03 20 8.61E-07 1.54E-07 -6.71E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 3 20 155.1 16.44 -42.16 8.38E-03 20 6.32E-07 1.91E-07 -9.75E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 3 25 155.15 7.64 -51.58 7.42E-03 20 4.85E-07 6.65E-08 -1.01E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 3 30 155.2 353.69 -45.6 5.97E-03 20 4.41E-07 -4.98E-08 -7.40E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 3 35 155.25 338.1 -31.83 4.82E-03 20 4.03E-07 -1.66E-07 -4.40E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 3 40 155.3 331.92 -11.13 4.62E-03 20 4.24E-07 -2.32E-07 -1.55E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 3 45 155.35 339.59 -2.22 5.31E-03 20 5.27E-07 -2.01E-07 -3.57E-08 4/2/97 Yes Yes 0 172 1063 C 18 H 3 50 155.4 347.53 5.48 4.98E-03 20 5.14E-07 -1.16E-07 8.25E-08 4/2/97 Yes Yes 0 172 1063 C 18 H 3 55 155.45 339.18 11.57 3.22E-03 20 3.13E-07 -1.22E-07 1.12E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 3 60 155.5 314.88 12.4 2.11E-03 20 1.54E-07 -1.58E-07 7.86E-08 4/2/97 Yes Yes 0 172 1063 C 18 H 3 65 155.55 293.96 14.37 1.11E-03 20 4.65E-08 -1.07E-07 4.79E-08 4/2/97 Yes Yes 0 172 1063 C 18 H 3 70 155.6 285.88 9.71 9.20E-04 20 2.63E-08 -9.46E-08 2.69E-08 4/2/97 Yes Yes 0 172 1063 C 18 H 3 75 155.65 323.37 -12.45 1.44E-03 20 1.19E-07 -9.08E-08 -5.37E-08 4/2/97 Yes Yes 0 172 1063 C 18 H 3 80 155.7 332.72 -14.03 3.90E-03 20 3.57E-07 -1.88E-07 -1.64E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 3 85 155.75 345.34 -20.43 5.50E-03 20 5.29E-07 -1.41E-07 -3.33E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 3 90 155.8 358.34 -20.25 6.16E-03 20 6.13E-07 -1.81E-08 -3.70E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 3 95 155.85 359.59 -25.12 4.64E-03 20 4.46E-07 -3.28E-09 -3.42E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 3 100 155.9 358.56 -14.06 8.65E-03 20 8.90E-07 -2.29E-08 -3.64E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 3 105 155.95 14.88 -8.75 8.98E-03 20 9.09E-07 2.47E-07 -2.37E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 3 110 156 41.5 -11.42 7.40E-03 20 5.76E-07 5.21E-07 -2.54E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 3 115 156.05 65.46 -24.58 4.97E-03 20 1.99E-07 4.46E-07 -3.58E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 3 120 156.1 89.32 -48.06 3.44E-03 20 2.92E-09 2.50E-07 -4.44E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 3 125 156.15 1.52 -77.16 2.68E-03 20 6.32E-08 1.72E-09 -4.54E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 3 130 156.2 346.93 -47.8 3.69E-03 20 2.56E-07 -6.08E-08 -4.74E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 3 135 156.25 0.24 -48.81 4.94E-03 20 3.45E-07 1.49E-09 -6.44E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 3 140 156.3 1.34 -45.68 6.44E-03 20 4.77E-07 1.14E-08 -7.99E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 3 145 156.35 6.8 -37.35 7.09E-03 20 5.94E-07 7.24E-08 -7.46E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 3 150 156.4 10.45 -41.68 3.27E-03 20 2.54E-07 4.80E-08 -3.77E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 4 0 156.4 149.43 -57.21 8.81E-04 20 -4.36E-08 2.63E-08 -1.28E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 4 5 156.45 18.26 -50.92 3.69E-03 20 2.34E-07 7.90E-08 -4.97E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 4 10 156.5 2.85 -35.18 6.69E-03 20 5.79E-07 2.95E-08 -6.68E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 4 15 156.55 5.19 -30.97 4.92E-03 20 4.45E-07 4.14E-08 -4.38E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 4 20 156.6 4.29 -33.15 3.13E-03 20 2.77E-07 2.13E-08 -2.97E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 4 25 156.65 15.01 -26.82 6.12E-03 20 5.60E-07 1.54E-07 -4.79E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 4 30 156.7 15.44 -35.48 7.72E-03 20 6.42E-07 1.82E-07 -7.77E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 4 35 156.75 18.81 -49.82 8.47E-03 20 5.49E-07 1.91E-07 -1.12E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 4 40 156.8 45.36 -56.92 1.07E-02 20 4.37E-07 4.52E-07 -1.56E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 4 45 156.85 41.36 -47.95 1.40E-02 20 7.48E-07 6.73E-07 -1.81E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 4 50 156.9 16.63 -52.52 1.26E-02 20 7.81E-07 2.39E-07 -1.74E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 4 55 156.95 346.41 -60.86 1.23E-02 20 6.18E-07 -1.53E-07 -1.87E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 4 60 157 348.75 -48.59 1.47E-02 20 1.01E-06 -2.05E-07 -1.91E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 4 65 157.05 5.51 -41.27 1.51E-02 20 1.20E-06 1.18E-07 -1.73E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 4 70 157.1 4.8 -33.06 1.55E-02 20 1.37E-06 1.18E-07 -1.47E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 4 75 157.15 2.77 -28.73 1.73E-02 20 1.61E-06 7.97E-08 -1.44E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 4 80 157.2 1.66 -29.19 1.72E-02 20 1.59E-06 4.73E-08 -1.46E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 4 85 157.25 357.58 -35.82 1.53E-02 20 1.32E-06 -5.69E-08 -1.55E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 4 90 157.3 1.94 -45.29 1.44E-02 20 1.07E-06 3.72E-08 -1.77E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 4 95 157.35 359.52 -49.79 1.69E-02 20 1.16E-06 -9.97E-09 -2.24E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 4 100 157.4 349.87 -45.66 1.76E-02 20 1.29E-06 -2.35E-07 -2.19E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 4 105 157.45 345.74 -40.86 1.78E-02 20 1.39E-06 -3.60E-07 -2.02E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 4 110 157.5 335.51 -39.28 1.74E-02 20 1.30E-06 -6.05E-07 -1.91E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 4 115 157.55 326.71 -37.19 1.89E-02 20 1.34E-06 -8.97E-07 -1.98E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 4 120 157.6 333.4 -35.11 1.42E-02 20 1.10E-06 -5.62E-07 -1.41E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 4 125 157.65 350.27 -45.55 3.83E-03 20 2.80E-07 -4.92E-08 -4.74E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 4 130 157.7 36.53 -56.97 1.51E-03 20 7.02E-08 5.32E-08 -2.20E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 4 135 157.75 348.53 -25.46 3.13E-03 20 2.93E-07 -6.09E-08 -2.33E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 4 140 157.8 351.81 -21.51 5.24E-03 20 5.12E-07 -7.54E-08 -3.33E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 4 145 157.85 8.5 -25.57 6.75E-03 20 6.39E-07 9.77E-08 -5.05E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 4 150 157.9 15.37 -33.48 6.79E-03 20 5.79E-07 1.63E-07 -6.49E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 5 0 157.9 187.01 -75.06 2.36E-03 20 -6.40E-08 -8.04E-09 -3.95E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 5 5 157.95 32.73 -47.88 1.08E-02 20 6.45E-07 4.24E-07 -1.39E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 5 10 158 16.26 -42.28 1.33E-02 20 1.00E-06 3.00E-07 -1.56E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 5 15 158.05 342.08 -50.51 1.19E-02 20 7.61E-07 -2.52E-07 -1.59E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 5 20 158.1 348.24 -55.01 1.09E-02 20 6.50E-07 -1.38E-07 -1.55E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 5 25 158.15 17.92 -51.9 1.04E-02 20 6.49E-07 2.15E-07 -1.42E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 5 30 158.2 6.97 -59.01 1.04E-02 20 5.61E-07 7.02E-08 -1.54E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 5 35 158.25 51.87 -80.79 1.01E-02 20 1.06E-07 1.38E-07 -1.73E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 5 40 158.3 253.15 -78.14 1.11E-02 20 -7.04E-08 -2.38E-07 -1.89E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 5 45 158.35 323.89 -63.91 1.35E-02 20 5.10E-07 -3.81E-07 -2.11E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 5 50 158.4 358.03 -52.8 2.02E-02 20 1.29E-06 -4.55E-08 -2.79E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 5 55 158.45 13.84 -48.21 2.68E-02 20 1.84E-06 4.64E-07 -3.47E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 5 60 158.5 13.02 -53.22 2.70E-02 20 1.67E-06 3.95E-07 -3.75E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 5 65 158.55 350.41 -62.53 2.53E-02 20 1.22E-06 -2.11E-07 -3.89E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 5 70 158.6 332.54 -55.18 2.38E-02 20 1.28E-06 -6.79E-07 -3.38E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 5 75 158.65 334.99 -42.04 2.80E-02 20 2.00E-06 -9.52E-07 -3.25E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 5 80 158.7 340.99 -30 3.50E-02 20 3.04E-06 -1.07E-06 -3.03E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 5 85 158.75 339.89 -26.68 2.87E-02 20 2.56E-06 -9.57E-07 -2.24E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 5 90 158.8 334.17 -27.87 2.52E-02 20 2.13E-06 -1.05E-06 -2.04E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 5 95 158.85 332.41 -27.03 2.55E-02 20 2.14E-06 -1.14E-06 -2.01E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 5 100 158.9 337.23 -25.15 2.59E-02 20 2.29E-06 -9.83E-07 -1.91E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 5 105 158.95 343.7 -28.47 2.40E-02 20 2.15E-06 -6.43E-07 -1.98E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 5 110 159 346.47 -33.13 2.26E-02 20 1.95E-06 -4.79E-07 -2.14E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 5 115 159.05 344.12 -36.08 2.13E-02 20 1.76E-06 -5.11E-07 -2.18E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 5 120 159.1 339.2 -35.73 1.99E-02 20 1.60E-06 -6.21E-07 -2.01E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 5 125 159.15 338.08 -45.56 1.33E-02 20 9.18E-07 -3.78E-07 -1.65E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 5 130 159.2 6.66 -48.79 1.41E-02 20 9.80E-07 1.17E-07 -1.84E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 5 135 159.25 17.12 -36.27 2.04E-02 20 1.66E-06 5.24E-07 -2.09E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 5 140 159.3 13.93 -29.75 2.81E-02 20 2.51E-06 6.37E-07 -2.42E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 5 145 159.35 11.68 -25.58 3.70E-02 20 3.47E-06 7.33E-07 -2.77E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 5 150 159.4 6.92 -23.17 2.86E-02 20 2.77E-06 3.43E-07 -1.95E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 6 0 159.4 43.88 -83.02 3.82E-03 20 3.55E-08 3.49E-08 -6.57E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 6 5 159.45 7.23 -28.93 2.34E-02 20 2.15E-06 2.79E-07 -1.96E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 6 10 159.5 1.49 -27.35 3.34E-02 20 3.14E-06 8.36E-08 -2.66E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 6 15 159.55 358.97 -33.96 2.52E-02 20 2.22E-06 -4.07E-08 -2.44E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 6 20 159.6 7.06 -48.78 1.52E-02 20 1.05E-06 1.33E-07 -1.98E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 6 25 159.65 2.73 -57.72 1.17E-02 20 6.63E-07 3.23E-08 -1.72E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 6 30 159.7 354.97 -61.61 1.25E-02 20 6.26E-07 -5.64E-08 -1.90E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 6 35 159.75 353.99 -61.41 1.66E-02 20 8.36E-07 -9.00E-08 -2.52E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 6 40 159.8 349.67 -58.19 2.84E-02 20 1.56E-06 -2.91E-07 -4.18E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 6 45 159.85 349.34 -53.72 4.22E-02 20 2.60E-06 -5.01E-07 -5.90E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 6 50 159.9 352.19 -51.12 5.05E-02 20 3.33E-06 -4.66E-07 -6.81E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 6 55 159.95 352.75 -51.7 4.92E-02 20 3.21E-06 -4.18E-07 -6.70E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 6 60 160 350.49 -55.89 4.27E-02 20 2.51E-06 -4.30E-07 -6.14E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 6 65 160.05 346.27 -58.68 3.68E-02 20 1.97E-06 -4.92E-07 -5.45E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 6 70 160.1 344.67 -57.05 3.31E-02 20 1.84E-06 -5.16E-07 -4.81E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 6 75 160.15 340.59 -58.29 2.71E-02 20 1.43E-06 -5.14E-07 -4.00E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 6 80 160.2 345.22 -56.52 2.53E-02 20 1.43E-06 -3.85E-07 -3.65E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 6 85 160.25 1.31 -43.76 2.52E-02 20 1.93E-06 4.52E-08 -3.02E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 6 90 160.3 359.64 -47.13 2.28E-02 20 1.64E-06 -1.07E-08 -2.89E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 6 95 160.35 343.59 -48.4 2.36E-02 20 1.59E-06 -4.79E-07 -3.05E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 6 100 160.4 342.13 -49.06 2.39E-02 20 1.58E-06 -5.21E-07 -3.13E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 6 105 160.45 339.34 -44.82 3.86E-02 20 2.71E-06 -1.05E-06 -4.71E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 6 110 160.5 341.23 -39.88 4.64E-02 20 3.57E-06 -1.24E-06 -5.15E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 6 115 160.55 349.16 -39.84 3.95E-02 20 3.16E-06 -6.19E-07 -4.39E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 6 120 160.6 353.36 -35.88 3.07E-02 20 2.62E-06 -3.12E-07 -3.12E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 6 125 160.65 1.41 -30.41 1.98E-02 20 1.81E-06 4.54E-08 -1.74E-06 4/2/97 Yes Yes 0 172 1063 C 18 H 6 130 160.7 17.11 -82.35 3.58E-03 20 4.83E-08 1.52E-08 -6.15E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 6 135 160.75 213.85 -79.26 3.83E-03 20 -6.29E-08 -4.32E-08 -6.53E-07 4/2/97 Yes Yes 0 172 1063 C 18 H 6 140 160.8 350.65 -19.3 1.87E-02 20 1.85E-06 -3.11E-07 -1.07E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 1 0 160.9 307.35 56.2 2.36E-03 20 8.46E-08 -1.13E-07 3.40E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 1 5 160.95 202.46 80.95 6.24E-03 20 -9.63E-08 -4.07E-08 1.07E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 1 10 161 132.41 61.71 1.07E-02 20 -3.62E-07 4.05E-07 1.63E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 1 15 161.05 204.25 66.61 6.64E-03 20 -2.55E-07 -1.17E-07 1.06E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 1 20 161.1 316.75 40.35 7.63E-03 20 4.49E-07 -4.32E-07 8.56E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 1 25 161.15 334.11 41.51 1.18E-02 20 8.44E-07 -4.19E-07 1.36E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 1 30 161.2 13.48 31.95 9.26E-03 20 8.11E-07 1.99E-07 8.50E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 1 35 161.25 38.92 21.1 3.96E-03 20 3.05E-07 2.52E-07 2.47E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 1 40 161.3 187.19 48.36 9.96E-04 20 -6.96E-08 -8.98E-09 1.29E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 1 45 161.35 233.95 40.95 1.32E-03 20 -6.24E-08 -8.77E-08 1.50E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 1 50 161.4 232.65 46.25 7.93E-04 20 -3.53E-08 -4.73E-08 9.93E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 1 55 161.45 34.09 50.66 7.94E-04 20 4.42E-08 3.06E-08 1.06E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 1 60 161.5 131.6 44.48 2.12E-03 20 -1.07E-07 1.23E-07 2.58E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 1 65 161.55 190.28 56.2 3.35E-03 20 -1.94E-07 -3.60E-08 4.82E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 1 70 161.6 219.91 62.43 2.35E-03 20 -8.86E-08 -7.58E-08 3.61E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 1 75 161.65 337.1 1.8 2.83E-04 20 2.76E-08 -1.19E-08 1.54E-09 4/2/97 Yes Yes 0 172 1063 C 19 H 1 80 161.7 35.74 -19.92 2.70E-03 20 2.19E-07 1.61E-07 -1.60E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 1 85 161.75 101.27 -67.27 4.31E-03 20 -3.46E-08 1.77E-07 -6.90E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 1 90 161.8 199.65 -45.8 1.14E-02 20 -7.96E-07 -2.91E-07 -1.42E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 1 95 161.85 207.09 -31.48 2.68E-02 20 -2.16E-06 -1.13E-06 -2.42E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 1 100 161.9 221.16 -30.19 4.55E-02 20 -3.14E-06 -2.81E-06 -3.97E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 1 105 161.95 235.44 -35.33 4.22E-02 20 -2.07E-06 -3.08E-06 -4.23E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 1 110 162 258.34 -57.64 2.19E-02 20 -2.51E-07 -1.25E-06 -3.21E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 1 115 162.05 194.72 -62.42 2.29E-02 20 -1.09E-06 -2.92E-07 -3.51E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 1 120 162.1 200.32 -39.38 5.11E-02 20 -3.93E-06 -1.49E-06 -5.62E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 1 125 162.15 200.01 -38.43 5.06E-02 20 -3.95E-06 -1.47E-06 -5.46E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 1 130 162.2 214.97 -57.33 1.55E-02 20 -7.28E-07 -5.21E-07 -2.26E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 1 135 162.25 21.57 -31.66 4.58E-03 20 3.85E-07 1.55E-07 -4.17E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 1 140 162.3 10.48 -22.09 1.25E-03 20 1.21E-07 2.29E-08 -8.18E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 1 145 162.35 198.71 -20.66 8.47E-04 20 -7.96E-08 -2.76E-08 -5.18E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 1 150 162.4 210.09 -17.25 4.25E-03 20 -3.72E-07 -2.21E-07 -2.18E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 2 0 162.4 92.96 -53.69 1.15E-03 20 -3.71E-09 7.35E-08 -1.60E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 2 5 162.45 197.44 -20.89 1.09E-02 20 -1.03E-06 -3.32E-07 -6.75E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 2 10 162.5 213.1 -20.21 1.71E-02 20 -1.43E-06 -9.53E-07 -1.03E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 2 15 162.55 230.86 -21.86 1.23E-02 20 -7.62E-07 -9.58E-07 -7.92E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 2 20 162.6 252.87 -34.4 5.12E-03 20 -1.32E-07 -4.38E-07 -5.02E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 2 25 162.65 30.78 -46.97 1.67E-03 20 1.04E-07 6.31E-08 -2.11E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 2 30 162.7 239.74 -78.7 1.59E-03 20 -1.67E-08 -2.92E-08 -2.71E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 2 35 162.75 215.54 -33.17 6.53E-03 20 -4.72E-07 -3.44E-07 -6.19E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 2 40 162.8 222.75 -23.59 1.64E-02 20 -1.17E-06 -1.11E-06 -1.14E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 2 45 162.85 230.71 -23.59 1.55E-02 20 -9.52E-07 -1.19E-06 -1.07E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 2 50 162.9 235.41 -27.53 1.12E-02 20 -5.98E-07 -8.86E-07 -8.97E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 2 55 162.95 206.51 -61.46 4.01E-03 20 -1.82E-07 -9.28E-08 -6.11E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 2 60 163 214.13 -27.22 1.25E-02 20 -9.77E-07 -6.77E-07 -9.92E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 2 65 163.05 219.83 -20.41 2.08E-02 20 -1.59E-06 -1.35E-06 -1.26E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 2 70 163.1 223.53 -17.64 2.22E-02 20 -1.62E-06 -1.58E-06 -1.16E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 2 75 163.15 223.28 -26.46 8.16E-03 20 -5.64E-07 -5.43E-07 -6.31E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 2 80 163.2 155.73 -69.76 1.45E-03 20 -4.86E-08 2.24E-08 -2.36E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 2 85 163.25 70.16 -41.8 1.42E-03 20 3.80E-08 1.08E-07 -1.64E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 2 90 163.3 183.31 -40.23 4.04E-03 20 -3.26E-07 -1.93E-08 -4.52E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 2 95 163.35 220.21 -43.37 6.19E-03 20 -3.64E-07 -3.15E-07 -7.37E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 2 100 163.4 212.1 -42.1 7.32E-03 20 -4.88E-07 -3.13E-07 -8.51E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 2 105 163.45 216.8 -30.45 2.05E-02 20 -1.50E-06 -1.15E-06 -1.80E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 2 110 163.5 215.54 -33.74 1.74E-02 20 -1.25E-06 -9.14E-07 -1.68E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 2 115 163.55 201.08 -28.56 1.61E-02 20 -1.40E-06 -5.50E-07 -1.33E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 2 120 163.6 210.17 -25.02 2.07E-02 20 -1.72E-06 -1.02E-06 -1.51E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 2 125 163.65 216.31 -25.11 2.61E-02 20 -2.02E-06 -1.52E-06 -1.92E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 2 130 163.7 218.85 -22.16 2.93E-02 20 -2.24E-06 -1.85E-06 -1.92E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 2 135 163.75 222.38 -21.13 3.06E-02 20 -2.24E-06 -2.09E-06 -1.91E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 2 140 163.8 225.94 -27.91 3.14E-02 20 -2.05E-06 -2.17E-06 -2.55E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 2 145 163.85 223.54 -31.51 3.11E-02 20 -2.04E-06 -1.98E-06 -2.82E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 2 150 163.9 222.27 -35.79 2.15E-02 20 -1.37E-06 -1.28E-06 -2.18E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 3 0 163.9 188.33 -60.14 6.73E-03 20 -3.52E-07 -5.27E-08 -1.01E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 3 5 163.95 209.52 -33.17 3.02E-02 20 -2.33E-06 -1.35E-06 -2.87E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 3 10 164 210.62 -33.43 2.88E-02 20 -2.19E-06 -1.33E-06 -2.75E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 3 15 164.05 219.51 -57.92 6.97E-03 20 -3.03E-07 -2.56E-07 -1.02E-06 4/2/97 Yes Yes 0 172 1063 C 19 H 3 20 164.1 170.19 -78.97 2.31E-03 20 -4.61E-08 8.15E-09 -3.92E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 3 25 164.15 220.41 -46.43 3.37E-03 20 -1.88E-07 -1.64E-07 -4.24E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 3 30 164.2 221.81 -32.22 7.67E-03 20 -5.13E-07 -4.69E-07 -7.09E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 3 35 164.25 237.98 -28.48 1.15E-02 20 -5.70E-07 -9.32E-07 -9.53E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 3 40 164.3 158.44 -85.21 3.11E-03 20 -2.56E-08 1.03E-08 -5.37E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 3 45 164.35 202.68 -41.16 6.43E-03 20 -4.73E-07 -2.02E-07 -7.33E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 3 50 164.4 224.7 -21.68 1.26E-02 20 -8.81E-07 -8.91E-07 -8.05E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 3 55 164.45 243.36 -14.22 1.31E-02 20 -6.02E-07 -1.23E-06 -5.56E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 3 60 164.5 259.81 -16.52 1.27E-02 20 -2.28E-07 -1.30E-06 -6.25E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 3 65 164.55 258.14 -22.12 1.13E-02 20 -2.29E-07 -1.11E-06 -7.40E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 3 70 164.6 253.88 -25.77 6.39E-03 20 -1.70E-07 -6.00E-07 -4.82E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 3 75 164.65 229.66 -32.72 2.19E-03 20 -1.27E-07 -1.52E-07 -2.05E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 3 80 164.7 199.4 -31.04 1.19E-03 20 -1.02E-07 -3.67E-08 -1.06E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 3 85 164.75 191.39 -33.81 1.15E-03 20 -9.90E-08 -2.04E-08 -1.11E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 3 90 164.8 215.53 -33.96 1.34E-03 20 -9.61E-08 -7.02E-08 -1.30E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 3 95 164.85 232.18 -34.57 1.34E-03 20 -7.16E-08 -9.44E-08 -1.32E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 3 100 164.9 238.22 -27.89 1.46E-03 20 -7.21E-08 -1.19E-07 -1.18E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 3 105 164.95 236.08 -27.61 1.40E-03 20 -7.32E-08 -1.11E-07 -1.12E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 3 110 165 229.65 -27.22 1.11E-03 20 -6.75E-08 -8.12E-08 -8.76E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 3 115 165.05 214.76 -20.33 8.94E-04 20 -7.31E-08 -5.19E-08 -5.39E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 3 120 165.1 218.4 -19.89 7.66E-04 20 -5.99E-08 -4.85E-08 -4.52E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 3 125 165.15 236.72 -25.95 6.98E-04 20 -3.65E-08 -5.69E-08 -5.29E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 3 130 165.2 246.85 -44.52 8.15E-04 20 -2.42E-08 -5.79E-08 -9.90E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 3 135 165.25 247.79 -48.37 9.42E-04 20 -2.51E-08 -6.29E-08 -1.22E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 3 140 165.3 236.51 -60.14 8.68E-04 20 -2.53E-08 -3.91E-08 -1.30E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 3 145 165.35 235.83 -57.13 1.62E-03 20 -5.24E-08 -7.90E-08 -2.36E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 3 150 165.4 251.89 -37.68 2.34E-03 20 -6.10E-08 -1.91E-07 -2.48E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 4 0 165.4 32.23 -78.21 5.12E-04 20 9.38E-09 6.05E-09 -8.69E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 4 5 165.45 286.16 -47.41 1.37E-03 20 2.75E-08 -9.69E-08 -1.75E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 4 10 165.5 219.27 -48.31 2.97E-03 20 -1.62E-07 -1.35E-07 -3.84E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 4 15 165.55 213.46 -39.65 8.73E-03 20 -5.95E-07 -4.02E-07 -9.66E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 4 20 165.6 220.19 -50.24 7.30E-03 20 -3.78E-07 -3.27E-07 -9.72E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 4 25 165.65 232.55 -72.77 2.64E-03 20 -5.04E-08 -6.73E-08 -4.37E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 4 30 165.7 47.35 -51.63 8.13E-04 20 3.63E-08 4.03E-08 -1.11E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 4 35 165.75 126.54 -72.66 3.72E-04 20 -7.01E-09 9.67E-09 -6.16E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 4 40 165.8 224.5 -24.85 1.55E-03 20 -1.06E-07 -1.07E-07 -1.13E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 4 45 165.85 233.17 -24.2 1.45E-03 20 -8.43E-08 -1.15E-07 -1.03E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 4 50 165.9 231.76 -26.04 8.30E-04 20 -4.90E-08 -6.35E-08 -6.32E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 4 55 165.95 222.42 -24.58 6.83E-04 20 -4.86E-08 -4.54E-08 -4.93E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 4 60 166 221.91 -25.78 5.26E-04 20 -3.74E-08 -3.43E-08 -3.97E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 4 65 166.05 225.07 -20.36 6.65E-04 20 -4.67E-08 -4.79E-08 -4.01E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 4 70 166.1 223.41 -17.52 6.44E-04 20 -4.73E-08 -4.57E-08 -3.36E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 4 75 166.15 240.13 2.33 3.05E-04 20 -1.61E-08 -2.86E-08 2.15E-09 4/2/97 Yes Yes 0 172 1063 C 19 H 4 80 166.2 302.35 66.69 2.54E-04 20 5.70E-09 -9.20E-09 4.04E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 4 85 166.25 51.78 48.89 4.32E-04 20 1.86E-08 2.42E-08 5.64E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 4 90 166.3 81.77 61.02 3.61E-04 20 2.65E-09 1.88E-08 5.47E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 4 95 166.35 191.32 65.04 3.04E-04 20 -1.33E-08 -2.73E-09 4.78E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 4 100 166.4 222.91 29.99 3.16E-04 20 -2.13E-08 -2.02E-08 2.74E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 4 105 166.45 227.21 -1.42 3.55E-04 20 -2.55E-08 -2.82E-08 -1.53E-09 4/2/97 Yes Yes 0 172 1063 C 19 H 4 110 166.5 225.22 -11.37 2.88E-04 20 -2.11E-08 -2.17E-08 -9.84E-09 4/2/97 Yes Yes 0 172 1063 C 19 H 4 115 166.55 221.83 -11.12 1.92E-04 20 -1.49E-08 -1.37E-08 -6.44E-09 4/2/97 Yes Yes 0 172 1063 C 19 H 4 120 166.6 254.3 -18.92 3.85E-04 20 -1.05E-08 -3.81E-08 -2.17E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 4 125 166.65 274.75 -23.31 5.89E-04 20 4.76E-09 -5.85E-08 -4.04E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 4 130 166.7 298.17 -34.48 3.44E-04 20 1.42E-08 -2.71E-08 -3.38E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 4 135 166.75 352.04 -84.82 1.51E-04 20 1.43E-09 -2.04E-10 -2.60E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 4 140 166.8 210.55 -69.31 1.32E-04 20 -4.25E-09 -2.57E-09 -2.14E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 4 145 166.85 157.73 -19.66 1.47E-04 20 -1.36E-08 5.69E-09 -8.57E-09 4/2/97 Yes Yes 0 172 1063 C 19 H 4 150 166.9 185.21 0.3 1.59E-04 20 -1.68E-08 -1.57E-09 1.45E-10 4/2/97 Yes Yes 0 172 1063 C 19 H 5 0 166.9 122.73 35.03 3.36E-05 20 -1.58E-09 2.51E-09 3.34E-09 4/2/97 Yes Yes 0 172 1063 C 19 H 5 5 166.95 211.17 11.95 3.86E-04 20 -3.42E-08 -2.12E-08 1.38E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 5 10 167 210.11 12.91 4.56E-04 20 -4.08E-08 -2.42E-08 1.77E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 5 15 167.05 229.68 13.51 2.98E-04 20 -1.99E-08 -2.40E-08 1.21E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 5 20 167.1 262.98 3.41 3.11E-04 20 -4.02E-09 -3.34E-08 3.20E-09 4/2/97 Yes Yes 0 172 1063 C 19 H 5 25 167.15 299.72 -7.2 1.96E-04 20 1.02E-08 -1.83E-08 -4.25E-09 4/2/97 Yes Yes 0 172 1063 C 19 H 5 30 167.2 308.57 -26.7 2.45E-04 20 1.45E-08 -1.85E-08 -1.91E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 5 35 167.25 285.22 -31.38 2.07E-04 20 4.93E-09 -1.85E-08 -1.87E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 5 40 167.3 245.75 -33.8 2.79E-04 20 -1.01E-08 -2.29E-08 -2.69E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 5 45 167.35 241.42 -22.16 6.22E-04 20 -2.92E-08 -5.48E-08 -4.06E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 5 50 167.4 247.88 -21.4 6.25E-04 20 -2.32E-08 -5.85E-08 -3.95E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 5 55 167.45 238.96 -19.43 6.30E-04 20 -3.25E-08 -5.52E-08 -3.63E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 5 60 167.5 225.78 -23.08 4.95E-04 20 -3.37E-08 -3.54E-08 -3.36E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 5 65 167.55 208.2 -35.66 2.60E-04 20 -1.97E-08 -1.08E-08 -2.62E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 5 70 167.6 211.36 -40.88 1.91E-04 20 -1.31E-08 -8.16E-09 -2.17E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 5 75 167.65 223.79 -35.9 2.11E-04 20 -1.31E-08 -1.28E-08 -2.14E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 5 80 167.7 239.42 -33.61 2.79E-04 20 -1.25E-08 -2.17E-08 -2.67E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 5 85 167.75 234.88 -35.13 3.30E-04 20 -1.65E-08 -2.39E-08 -3.29E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 5 90 167.8 217.67 -25.12 5.22E-04 20 -3.97E-08 -3.13E-08 -3.84E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 5 95 167.85 214.22 -22.72 6.20E-04 20 -5.01E-08 -3.49E-08 -4.15E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 5 100 167.9 224.39 -27.41 4.19E-04 20 -2.82E-08 -2.82E-08 -3.35E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 5 105 167.95 227.3 -29.55 4.51E-04 20 -2.82E-08 -3.13E-08 -3.86E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 5 110 168 238.03 -27.99 4.12E-04 20 -2.05E-08 -3.35E-08 -3.35E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 5 115 168.05 244 -13.29 2.43E-04 20 -1.10E-08 -2.31E-08 -9.68E-09 4/2/97 Yes Yes 0 172 1063 C 19 H 5 120 168.1 61.18 -26.95 4.98E-05 20 2.27E-09 4.22E-09 -3.91E-09 4/2/97 Yes Yes 0 172 1063 C 19 H 5 125 168.15 307.4 -22.23 8.68E-05 20 5.18E-09 -6.92E-09 -5.69E-09 4/2/97 Yes Yes 0 172 1063 C 19 H 5 130 168.2 235.81 -17.57 1.54E-04 20 -8.75E-09 -1.32E-08 -8.06E-09 4/2/97 Yes Yes 0 172 1063 C 19 H 5 135 168.25 202.28 -8.49 2.16E-04 20 -2.10E-08 -8.80E-09 -5.54E-09 4/2/97 Yes Yes 0 172 1063 C 19 H 5 140 168.3 228.66 7.33 2.15E-04 20 -1.49E-08 -1.74E-08 4.76E-09 4/2/97 Yes Yes 0 172 1063 C 19 H 5 145 168.35 292.29 14.58 1.39E-04 20 5.43E-09 -1.35E-08 6.08E-09 4/2/97 Yes Yes 0 172 1063 C 19 H 5 150 168.4 3.2 2.85 1.55E-04 20 1.64E-08 9.36E-10 1.33E-09 4/2/97 Yes Yes 0 172 1063 C 19 H 6 0 168.4 3.39 1.47 6.29E-05 20 6.65E-09 4.03E-10 2.79E-10 4/2/97 Yes Yes 0 172 1063 C 19 H 6 5 168.45 31.67 11.48 2.47E-04 20 2.19E-08 1.38E-08 8.52E-09 4/2/97 Yes Yes 0 172 1063 C 19 H 6 10 168.5 276.56 67.37 9.25E-05 20 4.32E-10 -3.84E-09 1.48E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 6 15 168.55 239.72 -0.09 1.69E-04 20 -9.02E-09 -1.58E-08 -4.43E-11 4/2/97 Yes Yes 0 172 1063 C 19 H 6 20 168.6 250.03 -54.57 1.03E-04 20 -2.17E-09 -6.11E-09 -1.46E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 6 25 168.65 228.71 -68.11 1.46E-04 20 -3.80E-09 -4.43E-09 -2.34E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 6 30 168.7 227.56 -24.3 3.09E-04 20 -2.02E-08 -2.25E-08 -2.20E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 6 35 168.75 227.08 -17.11 4.42E-04 20 -3.05E-08 -3.36E-08 -2.25E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 6 40 168.8 224.98 -22.24 4.65E-04 20 -3.23E-08 -3.30E-08 -3.05E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 6 45 168.85 212.76 -32.28 3.94E-04 20 -2.97E-08 -1.96E-08 -3.65E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 6 50 168.9 227.25 -38.23 5.52E-04 20 -3.12E-08 -3.45E-08 -5.92E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 6 55 168.95 236.77 -47.65 6.88E-04 20 -2.69E-08 -4.20E-08 -8.81E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 6 60 169 220.89 -43.74 8.00E-04 20 -4.63E-08 -4.10E-08 -9.58E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 6 65 169.05 223.89 -32.18 9.43E-04 20 -6.10E-08 -6.00E-08 -8.71E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 6 70 169.1 233.52 -23.79 9.65E-04 20 -5.57E-08 -7.70E-08 -6.75E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 6 75 169.15 232.29 -25.73 8.27E-04 20 -4.83E-08 -6.39E-08 -6.22E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 6 80 169.2 225.2 -38.8 5.94E-04 20 -3.46E-08 -3.56E-08 -6.45E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 6 85 169.25 226.29 -38.83 6.69E-04 20 -3.82E-08 -4.08E-08 -7.27E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 6 90 169.3 229.65 -36.05 9.88E-04 20 -5.48E-08 -6.60E-08 -1.01E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 6 95 169.35 225.04 -37.76 9.87E-04 20 -5.85E-08 -5.99E-08 -1.05E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 6 100 169.4 228.5 -44.51 6.63E-04 20 -3.32E-08 -3.84E-08 -8.06E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 6 105 169.45 250.61 -50.37 4.37E-04 20 -9.82E-09 -2.85E-08 -5.84E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 6 110 169.5 242.86 -35.07 4.90E-04 20 -1.94E-08 -3.87E-08 -4.88E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 6 115 169.55 231.3 -28.78 6.15E-04 20 -3.57E-08 -4.56E-08 -5.13E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 6 120 169.6 233.16 -27.6 5.93E-04 20 -3.34E-08 -4.56E-08 -4.76E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 6 125 169.65 231.65 -26.53 5.47E-04 20 -3.22E-08 -4.16E-08 -4.23E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 6 130 169.7 227.09 -28.22 8.01E-04 20 -5.10E-08 -5.61E-08 -6.57E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 6 135 169.75 231.27 -34.46 6.85E-04 20 -3.75E-08 -4.78E-08 -6.72E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 6 140 169.8 228.06 -38.41 4.54E-04 20 -2.52E-08 -2.87E-08 -4.89E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 6 145 169.85 242.51 -33.81 6.32E-04 20 -2.57E-08 -5.05E-08 -6.10E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 6 150 169.9 256.01 -36.42 5.20E-04 20 -1.07E-08 -4.41E-08 -5.35E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 7 0 169.9 186.26 -74.53 1.14E-04 20 -3.20E-09 -3.59E-10 -1.90E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 7 5 169.95 235.49 -38.7 5.51E-04 20 -2.58E-08 -3.84E-08 -5.97E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 7 10 170 242.76 -33.49 6.63E-04 20 -2.68E-08 -5.33E-08 -6.34E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 7 15 170.05 232.12 -29.94 6.32E-04 20 -3.57E-08 -4.69E-08 -5.47E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 7 20 170.1 230.84 -39.75 5.70E-04 20 -2.94E-08 -3.69E-08 -6.32E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 7 25 170.15 248.15 -45.56 5.55E-04 20 -1.53E-08 -3.91E-08 -6.87E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 7 30 170.2 240.31 -43.37 6.22E-04 20 -2.38E-08 -4.26E-08 -7.41E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 7 35 170.25 215.33 -30.66 9.29E-04 20 -6.91E-08 -5.01E-08 -8.21E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 7 40 170.3 224.87 -17.86 2.20E-03 20 -1.57E-07 -1.60E-07 -1.17E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 7 45 170.35 240.32 -20.8 2.05E-03 20 -1.01E-07 -1.81E-07 -1.26E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 7 50 170.4 245.52 -24.7 1.47E-03 20 -5.87E-08 -1.32E-07 -1.07E-07 4/2/97 Yes Yes 0 172 1063 C 19 H 7 55 170.45 241.23 -17.37 1.05E-03 20 -5.12E-08 -9.54E-08 -5.44E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 7 60 170.5 221.88 -33.76 5.04E-04 20 -3.31E-08 -3.03E-08 -4.86E-08 4/2/97 Yes Yes 0 172 1063 C 19 H 7 65 170.55 183.21 -47.97 3.26E-04 20 -2.31E-08 -1.33E-09 -4.20E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 1 0 170.4 290.87 80.11 2.09E-03 20 1.36E-08 -3.64E-08 3.57E-07 4/2/97 Yes Yes 0 172 1063 C 20 H 1 5 170.45 127.15 45.77 3.95E-03 20 -1.77E-07 2.38E-07 4.91E-07 4/2/97 Yes Yes 0 172 1063 C 20 H 1 10 170.5 85.26 -14.36 2.43E-03 20 2.06E-08 2.54E-07 -1.04E-07 4/2/97 Yes Yes 0 172 1063 C 20 H 1 15 170.55 267 -15.36 5.47E-03 20 -2.92E-08 -5.71E-07 -2.51E-07 4/2/97 Yes Yes 0 172 1063 C 20 H 1 20 170.6 256.39 25.35 6.10E-04 20 -1.38E-08 -5.81E-08 4.53E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 1 25 170.65 91.61 1.8 1.05E-03 20 -3.12E-09 1.14E-07 5.72E-09 4/2/97 Yes Yes 0 172 1063 C 20 H 1 30 170.7 84.89 -23.36 4.03E-04 20 3.49E-09 3.99E-08 -2.77E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 1 35 170.75 73.06 -25.93 5.87E-04 20 1.63E-08 5.47E-08 -4.45E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 1 40 170.8 57.13 -22.47 6.81E-04 20 3.62E-08 5.74E-08 -4.51E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 1 45 170.85 52.4 -29.37 4.76E-04 20 2.68E-08 3.56E-08 -4.04E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 1 50 170.9 69.9 -49.43 3.89E-04 20 9.22E-09 2.58E-08 -5.12E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 1 55 170.95 34.85 -53.14 3.60E-04 20 1.88E-08 1.34E-08 -5.00E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 1 60 171 40.75 -30.89 3.76E-04 20 2.59E-08 2.29E-08 -3.35E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 1 65 171.05 47.26 -19.26 3.67E-04 20 2.49E-08 2.76E-08 -2.10E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 1 70 171.1 64.27 -18.51 4.27E-04 20 1.86E-08 3.95E-08 -2.35E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 1 75 171.15 72.36 -21.39 5.65E-04 20 1.69E-08 5.44E-08 -3.57E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 1 80 171.2 96.44 -45.83 5.25E-04 20 -4.35E-09 3.94E-08 -6.53E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 1 85 171.25 64.38 -44.56 8.16E-04 20 2.67E-08 5.69E-08 -9.93E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 1 90 171.3 38.14 -36.28 4.77E-04 20 3.21E-08 2.58E-08 -4.89E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 1 95 171.35 178.32 -78.17 3.01E-04 20 -6.54E-09 1.97E-10 -5.11E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 1 100 171.4 71.13 -32.43 7.59E-04 20 2.20E-08 6.58E-08 -7.06E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 1 105 171.45 13.28 -11.39 5.88E-04 20 5.95E-08 1.44E-08 -2.01E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 1 110 171.5 305.89 7.32 2.45E-04 20 1.51E-08 -2.14E-08 5.42E-09 4/2/97 Yes Yes 0 172 1063 C 20 H 1 115 171.55 324.6 -37.43 1.35E-04 20 9.24E-09 -6.71E-09 -1.42E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 1 120 171.6 337.63 -22.31 4.35E-04 20 3.95E-08 -1.66E-08 -2.86E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 1 125 171.65 336.45 -2.67 7.84E-04 20 7.61E-08 -3.39E-08 -6.32E-09 4/2/97 Yes Yes 0 172 1063 C 20 H 1 130 171.7 335.22 13.65 6.31E-04 20 5.91E-08 -2.79E-08 2.58E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 1 135 171.75 37.12 52.47 4.50E-04 20 2.32E-08 1.79E-08 6.18E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 1 140 171.8 187.87 50.19 3.96E-04 20 -2.66E-08 -3.77E-09 5.27E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 1 145 171.85 314.32 34.95 3.72E-04 20 2.26E-08 -2.36E-08 3.69E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 2 0 171.9 177.07 27.7 2.91E-04 20 -2.73E-08 1.43E-09 2.34E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 2 5 171.95 115.51 77.79 2.76E-04 20 -2.66E-09 5.71E-09 4.67E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 2 10 172 297.73 34.59 8.14E-04 20 3.31E-08 -6.43E-08 8.01E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 2 15 172.05 9.25 40.54 2.82E-04 20 2.24E-08 3.73E-09 3.17E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 2 20 172.1 339.54 4.97 2.81E-04 20 2.78E-08 -1.06E-08 4.22E-09 4/2/97 Yes Yes 0 172 1063 C 20 H 2 25 172.15 300.24 4.36 4.41E-04 20 2.35E-08 -4.12E-08 5.81E-09 4/2/97 Yes Yes 0 172 1063 C 20 H 2 30 172.2 289.09 -3.95 3.47E-04 20 1.20E-08 -3.55E-08 -4.15E-09 4/2/97 Yes Yes 0 172 1063 C 20 H 2 35 172.25 307.69 18.35 2.29E-04 20 1.41E-08 -1.87E-08 1.25E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 3 0 172.3 128.57 -16.38 4.16E-04 20 -2.64E-08 3.39E-08 -2.03E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 3 5 172.35 139.36 -11.23 6.10E-04 20 -4.81E-08 4.22E-08 -2.06E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 3 10 172.4 221.73 46.9 4.07E-04 20 -2.20E-08 -2.01E-08 5.15E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 3 15 172.45 183.53 59.16 5.03E-04 20 -2.73E-08 -1.72E-09 7.48E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 3 20 172.5 198.05 8.64 3.72E-04 20 -3.71E-08 -1.24E-08 9.69E-09 4/2/97 Yes Yes 0 172 1063 C 20 H 3 25 172.55 33.08 -39.56 3.30E-04 20 2.26E-08 1.51E-08 -3.65E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 4 0 172.6 285.38 -10.34 1.90E-04 20 5.27E-09 -1.96E-08 -5.92E-09 4/2/97 Yes Yes 0 172 1063 C 20 H 4 5 172.65 277.15 -9.91 3.46E-04 20 4.50E-09 -3.67E-08 -1.03E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 4 10 172.7 284.14 -20.68 2.70E-04 20 6.53E-09 -2.65E-08 -1.65E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 4 15 172.75 278.15 -12.93 4.60E-04 20 6.75E-09 -4.82E-08 -1.79E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 4 20 172.8 285.7 -10.74 3.92E-04 20 1.10E-08 -4.02E-08 -1.27E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 4 25 172.85 261.51 -17.08 3.18E-04 20 -4.77E-09 -3.26E-08 -1.62E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 4 30 172.9 256.21 -23.16 2.99E-04 20 -6.94E-09 -2.89E-08 -2.04E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 4 35 172.95 275.72 -32.63 2.65E-04 20 2.36E-09 -2.41E-08 -2.48E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 4 40 173 274.1 -31.6 2.34E-04 20 1.51E-09 -2.16E-08 -2.13E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 4 45 173.05 259.17 -22.28 2.11E-04 20 -3.89E-09 -2.08E-08 -1.39E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 4 50 173.1 264.36 -5.07 3.44E-04 20 -3.57E-09 -3.70E-08 -5.27E-09 4/2/97 Yes Yes 0 172 1063 C 20 H 4 55 173.15 266.11 -6.61 3.81E-04 20 -2.73E-09 -4.10E-08 -7.61E-09 4/2/97 Yes Yes 0 172 1063 C 20 H 4 60 173.2 267.76 -8.94 3.71E-04 20 -1.52E-09 -3.97E-08 -9.98E-09 4/2/97 Yes Yes 0 172 1063 C 20 H 5 0 173.25 268.25 -34.69 6.35E-05 20 -1.69E-10 -5.66E-09 -6.26E-09 4/2/97 Yes Yes 0 172 1063 C 20 H 5 5 173.3 284.41 -29.2 2.05E-04 20 4.73E-09 -1.88E-08 -1.74E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 5 10 173.35 297.07 -45.41 1.66E-04 20 5.61E-09 -1.12E-08 -2.04E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 5 15 173.4 294.8 -75.23 1.05E-04 20 1.19E-09 -2.63E-09 -1.75E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 5 20 173.45 265.59 -67.62 7.93E-05 20 -2.46E-10 -3.26E-09 -1.27E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 5 25 173.5 333.47 -28.81 6.34E-05 20 5.27E-09 -2.69E-09 -5.30E-09 4/2/97 Yes Yes 0 172 1063 C 20 H 5 30 173.55 320.72 4.95 1.95E-04 20 1.59E-08 -1.33E-08 2.91E-09 4/2/97 Yes Yes 0 172 1063 C 20 H 5 35 173.6 312.38 10.86 3.03E-04 20 2.13E-08 -2.39E-08 9.91E-09 4/2/97 Yes Yes 0 172 1063 C 20 H 5 40 173.65 322.48 26.16 2.02E-04 20 1.53E-08 -1.20E-08 1.55E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 5 45 173.7 343.16 39.46 1.52E-04 20 1.19E-08 -3.68E-09 1.67E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 5 50 173.75 15.54 33.83 1.32E-04 20 1.12E-08 3.18E-09 1.27E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 5 55 173.8 13.18 70.45 7.36E-05 20 2.54E-09 6.09E-10 1.20E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 5 60 173.85 280.41 41.14 8.58E-05 20 1.24E-09 -6.90E-09 9.79E-09 4/2/97 Yes Yes 0 172 1063 C 20 H 5 65 173.9 311.87 5.6 7.84E-05 20 5.53E-09 -6.30E-09 1.33E-09 4/2/97 Yes Yes 0 172 1063 C 20 H 5 70 173.95 320.72 -47.71 5.15E-05 20 2.85E-09 -2.38E-09 -6.61E-09 4/2/97 Yes Yes 0 172 1063 C 20 H 5 75 174 343.25 -34.07 5.32E-05 20 4.47E-09 -1.38E-09 -5.16E-09 4/2/97 Yes Yes 0 172 1063 C 20 H 5 80 174.05 356.34 10.77 5.10E-05 20 5.31E-09 -3.47E-10 1.65E-09 4/2/97 Yes Yes 0 172 1063 C 20 H 5 85 174.1 58.77 17.18 1.02E-04 20 5.35E-09 9.03E-09 5.22E-09 4/2/97 Yes Yes 0 172 1063 C 20 H 5 90 174.15 51.94 28.27 1.14E-04 20 6.57E-09 8.58E-09 9.37E-09 4/2/97 Yes Yes 0 172 1063 C 20 H 5 95 174.2 60.76 53.53 9.39E-05 20 2.89E-09 5.28E-09 1.31E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 5 100 174.25 125.4 80.69 1.02E-04 20 -1.01E-09 1.46E-09 1.74E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 5 105 174.3 199.7 75.53 1.25E-04 20 -3.13E-09 -1.15E-09 2.11E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 5 110 174.35 154.73 64.19 1.67E-04 20 -6.97E-09 3.37E-09 2.61E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 5 115 174.4 152.99 41.09 1.80E-04 20 -1.28E-08 6.67E-09 2.05E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 5 120 174.45 157.74 54.9 1.21E-04 20 -6.81E-09 2.85E-09 1.71E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 5 125 174.5 317.46 81.75 9.88E-05 20 1.11E-09 -1.04E-09 1.70E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 5 130 174.55 310.57 73.99 1.14E-04 20 2.17E-09 -2.59E-09 1.90E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 5 135 174.6 56.06 64.48 1.24E-04 20 3.17E-09 4.82E-09 1.94E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 5 140 174.65 124.18 56.9 1.38E-04 20 -4.48E-09 6.75E-09 2.00E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 5 145 174.7 147.07 50.09 1.62E-04 20 -9.24E-09 6.12E-09 2.15E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 6 0 174.75 243.54 72.62 1.10E-04 20 -1.55E-09 -3.19E-09 1.82E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 6 5 174.8 231.48 88.13 2.58E-04 20 -5.56E-10 -7.14E-10 4.46E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 6 10 174.85 221.13 88.9 2.98E-04 20 -4.57E-10 -4.08E-10 5.16E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 6 15 174.9 93.06 80.68 3.26E-04 20 -2.99E-10 5.71E-09 5.57E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 6 20 174.95 107.37 71.9 3.09E-04 20 -3.04E-09 9.95E-09 5.10E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 6 25 175 109.94 58.61 3.01E-04 20 -5.67E-09 1.60E-08 4.45E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 6 30 175.05 119.6 46.99 4.03E-04 20 -1.44E-08 2.60E-08 5.11E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 6 35 175.1 113.06 51.75 4.13E-04 20 -1.06E-08 2.55E-08 5.62E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 6 40 175.15 62.29 41.14 7.37E-04 20 2.74E-08 5.33E-08 8.41E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 6 45 175.2 294.7 58.34 5.03E-04 20 1.17E-08 -2.60E-08 7.42E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 6 50 175.25 122.78 70.7 3.58E-04 20 -6.79E-09 1.08E-08 5.85E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 6 55 175.3 107.35 61.9 4.91E-04 20 -7.31E-09 2.39E-08 7.51E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 6 60 175.35 116.22 52.76 5.83E-04 20 -1.65E-08 3.43E-08 8.05E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 6 65 175.4 104.74 49.09 4.57E-04 20 -8.08E-09 3.14E-08 5.99E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 6 70 175.45 47.54 75.81 1.95E-04 20 3.42E-09 3.82E-09 3.27E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 6 75 175.5 16.43 69.91 2.97E-04 20 1.04E-08 3.13E-09 4.84E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 6 80 175.55 98.87 70.19 5.54E-04 20 -3.07E-09 2.01E-08 9.03E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 6 85 175.6 101.2 63.07 7.13E-04 20 -6.65E-09 3.44E-08 1.10E-07 4/2/97 Yes Yes 0 172 1063 C 20 H 6 90 175.65 105.89 51.65 8.79E-04 20 -1.58E-08 5.69E-08 1.20E-07 4/2/97 Yes Yes 0 172 1063 C 20 H 6 95 175.7 116.46 57.55 7.37E-04 20 -1.87E-08 3.84E-08 1.08E-07 4/2/97 Yes Yes 0 172 1063 C 20 H 6 100 175.75 112.41 62.99 5.43E-04 20 -9.98E-09 2.47E-08 8.39E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 6 105 175.8 115.01 53.56 5.92E-04 20 -1.58E-08 3.45E-08 8.25E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 6 110 175.85 134.34 38.91 8.33E-04 20 -4.80E-08 5.03E-08 9.06E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 6 115 175.9 126 36.2 8.10E-04 20 -4.08E-08 5.74E-08 8.30E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 6 120 175.95 113.77 58.49 6.59E-04 20 -1.47E-08 3.42E-08 9.73E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 6 125 176 79.03 60.42 6.78E-04 20 6.76E-09 3.56E-08 1.02E-07 4/2/97 Yes Yes 0 172 1063 C 20 H 6 130 176.05 71.29 66.58 6.32E-04 20 8.55E-09 2.58E-08 1.01E-07 4/2/97 Yes Yes 0 172 1063 C 20 H 6 135 176.1 96.62 65.5 6.18E-04 20 -3.13E-09 2.76E-08 9.75E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 6 140 176.15 116.82 55.66 5.88E-04 20 -1.59E-08 3.21E-08 8.41E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 6 145 176.2 108.76 62.2 4.48E-04 20 -7.12E-09 2.15E-08 6.87E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 6 150 176.25 120.77 58.06 2.84E-04 20 -8.14E-09 1.40E-08 4.17E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 7 0 176.25 10.14 56.11 1.95E-04 20 1.14E-08 2.08E-09 2.81E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 7 5 176.3 87.3 37.29 5.72E-04 20 2.27E-09 4.93E-08 6.00E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 7 10 176.35 96.37 30.11 6.70E-04 20 -6.82E-09 6.24E-08 5.82E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 7 15 176.4 103.62 29.85 5.16E-04 20 -1.12E-08 4.71E-08 4.45E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 7 20 176.45 118.42 40.21 4.84E-04 20 -1.87E-08 3.53E-08 5.42E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 7 25 176.5 98.4 45.27 4.66E-04 20 -5.08E-09 3.52E-08 5.73E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 7 30 176.55 90.96 54.85 4.66E-04 20 -4.75E-10 2.91E-08 6.60E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 7 35 176.6 90.7 57.09 4.06E-04 20 -2.85E-10 2.39E-08 5.90E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 7 40 176.65 88.17 46.33 5.49E-04 20 1.29E-09 4.11E-08 6.89E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 7 45 176.7 101.4 45.67 7.51E-04 20 -1.10E-08 5.58E-08 9.32E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 7 50 176.75 104.37 41.2 8.72E-04 20 -1.73E-08 6.90E-08 9.96E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 7 55 176.8 108.16 52.14 7.40E-04 20 -1.50E-08 4.68E-08 1.01E-07 4/2/97 Yes Yes 0 172 1063 C 20 H 7 60 176.85 95.61 60.7 7.45E-04 20 -3.78E-09 3.94E-08 1.13E-07 4/2/97 Yes Yes 0 172 1063 C 20 H 7 65 176.9 90.47 57.65 9.01E-04 20 -4.23E-10 5.23E-08 1.32E-07 4/2/97 Yes Yes 0 172 1063 C 20 H 7 70 176.95 90.47 58.32 9.49E-04 20 -4.33E-10 5.40E-08 1.40E-07 4/2/97 Yes Yes 0 172 1063 C 20 H 7 75 177 106.71 59.03 9.21E-04 20 -1.45E-08 4.92E-08 1.37E-07 4/2/97 Yes Yes 0 172 1063 C 20 H 7 80 177.05 108.18 53.7 1.04E-03 20 -2.04E-08 6.36E-08 1.46E-07 4/2/97 Yes Yes 0 172 1063 C 20 H 7 85 177.1 117.26 48.56 9.90E-04 20 -3.18E-08 6.32E-08 1.29E-07 4/2/97 Yes Yes 0 172 1063 C 20 H 7 90 177.15 116.16 46.94 8.53E-04 20 -2.72E-08 5.67E-08 1.08E-07 4/2/97 Yes Yes 0 172 1063 C 20 H 7 95 177.2 102.61 50.06 8.96E-04 20 -1.33E-08 6.08E-08 1.19E-07 4/2/97 Yes Yes 0 172 1063 C 20 H 7 100 177.25 91.81 50.32 1.07E-03 20 -2.29E-09 7.39E-08 1.42E-07 4/2/97 Yes Yes 0 172 1063 C 20 H 7 105 177.3 98.24 48.81 1.15E-03 20 -1.16E-08 8.16E-08 1.51E-07 4/2/97 Yes Yes 0 172 1063 C 20 H 7 110 177.35 106.37 50.09 9.26E-04 20 -1.78E-08 6.18E-08 1.23E-07 4/2/97 Yes Yes 0 172 1063 C 20 H 7 115 177.4 99.49 55.49 5.72E-04 20 -5.67E-09 3.47E-08 8.18E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 7 120 177.45 82.98 55.81 4.39E-04 20 3.20E-09 2.65E-08 6.29E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 7 125 177.5 108.27 56.97 4.61E-04 20 -8.35E-09 2.59E-08 6.70E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 7 130 177.55 111.16 53.08 5.93E-04 20 -1.36E-08 3.60E-08 8.22E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 7 135 177.6 83.45 84.2 4.91E-04 20 6.01E-10 5.35E-09 8.47E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 7 140 177.65 24.72 54.52 5.62E-04 20 3.15E-08 1.48E-08 7.94E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 7 145 177.7 117.1 49.84 5.83E-04 20 -1.82E-08 3.63E-08 7.73E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 7 150 177.75 142.25 38.02 2.96E-04 20 -1.95E-08 1.55E-08 3.16E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 0 177.75 73.37 67.03 1.34E-04 20 1.58E-09 5.42E-09 2.13E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 5 177.8 99.4 46.75 4.14E-04 20 -4.92E-09 3.04E-08 5.23E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 10 177.85 105.68 46.53 4.98E-04 20 -9.83E-09 3.58E-08 6.27E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 15 177.9 116.97 47.9 4.84E-04 20 -1.56E-08 3.13E-08 6.22E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 20 177.95 171.39 67.36 3.94E-04 20 -1.59E-08 2.46E-09 6.30E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 25 178 161.28 50.46 4.01E-04 20 -2.57E-08 8.90E-09 5.37E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 30 178.05 125.86 42.05 4.06E-04 20 -1.87E-08 2.65E-08 4.72E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 35 178.1 95.55 54.13 3.99E-04 20 -2.40E-09 2.52E-08 5.61E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 40 178.15 96.69 54.28 4.72E-04 20 -3.40E-09 2.97E-08 6.64E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 45 178.2 109.93 62.75 4.20E-04 20 -6.96E-09 1.96E-08 6.48E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 50 178.25 97.88 62.19 5.09E-04 20 -3.46E-09 2.55E-08 7.81E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 55 178.3 106.35 47.34 8.20E-04 20 -1.66E-08 5.78E-08 1.05E-07 4/2/97 Yes Yes 0 172 1063 C 20 H 8 60 178.35 118.58 47.86 7.63E-04 20 -2.60E-08 4.88E-08 9.81E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 65 178.4 127.73 59.98 4.48E-04 20 -1.45E-08 1.92E-08 6.72E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 70 178.45 110.42 69.45 3.41E-04 20 -4.43E-09 1.22E-08 5.53E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 75 178.5 101.71 63.76 4.27E-04 20 -4.07E-09 2.01E-08 6.64E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 80 178.55 118.25 58.3 5.17E-04 20 -1.36E-08 2.60E-08 7.62E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 85 178.6 116.3 54.12 5.24E-04 20 -1.44E-08 2.99E-08 7.36E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 90 178.65 106.95 60.71 3.87E-04 20 -5.85E-09 1.96E-08 5.84E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 95 178.7 106.83 59.74 3.59E-04 20 -5.55E-09 1.88E-08 5.37E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 100 178.75 127.24 46.53 5.08E-04 20 -2.24E-08 3.01E-08 6.39E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 105 178.8 141.29 42.34 6.04E-04 20 -3.69E-08 3.03E-08 7.05E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 110 178.85 144.31 54.1 3.90E-04 20 -1.97E-08 1.45E-08 5.48E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 115 178.9 119.03 52.13 3.54E-04 20 -1.12E-08 2.06E-08 4.84E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 120 178.95 128.26 53.67 3.88E-04 20 -1.51E-08 1.96E-08 5.42E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 125 179 124.73 60.85 3.87E-04 20 -1.14E-08 1.68E-08 5.86E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 130 179.05 93.19 53.97 4.41E-04 20 -1.53E-09 2.81E-08 6.18E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 135 179.1 71.57 54.13 4.96E-04 20 9.75E-09 2.99E-08 6.97E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 140 179.15 116.35 71.92 3.99E-04 20 -5.83E-09 1.20E-08 6.57E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 145 179.2 120.69 60.64 3.06E-04 20 -8.13E-09 1.40E-08 4.63E-08 4/2/97 Yes Yes 0 172 1063 C 20 H 8 150 179.25 146.92 62.05 1.99E-04 20 -8.27E-09 5.51E-09 3.04E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 2 0 179.63 338.15 39.18 3.07E-04 20 2.34E-08 -9.59E-09 3.36E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 2 5 179.68 333.18 45.68 8.47E-04 20 5.60E-08 -2.90E-08 1.05E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 2 10 179.73 19.77 53.03 1.05E-03 20 6.29E-08 2.31E-08 1.45E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 2 15 179.78 3.23 50.82 9.13E-04 20 6.11E-08 3.52E-09 1.23E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 2 20 179.83 352.04 46.13 1.20E-03 20 8.77E-08 -1.25E-08 1.50E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 2 25 179.88 16.07 44.95 1.54E-03 20 1.11E-07 3.27E-08 1.88E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 2 30 179.93 17.74 40.19 1.91E-03 20 1.47E-07 4.82E-08 2.14E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 2 35 179.98 346.68 39.04 1.88E-03 20 1.50E-07 -3.64E-08 2.05E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 2 40 180.03 335.18 31.47 2.55E-03 20 2.10E-07 -9.91E-08 2.31E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 2 45 180.08 344.88 38.52 2.07E-03 20 1.65E-07 -4.57E-08 2.23E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 2 50 180.13 350.15 49.47 1.09E-03 20 7.37E-08 -1.31E-08 1.43E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 2 55 180.18 3.73 31.62 1.14E-03 20 1.03E-07 6.85E-09 1.04E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 2 60 180.23 4.9 34.21 1.59E-03 20 1.39E-07 1.22E-08 1.55E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 3 0 180.26 335.69 33.63 3.86E-04 20 3.11E-08 -1.43E-08 3.71E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 3 5 180.31 353.03 35.62 1.28E-03 20 1.09E-07 -1.37E-08 1.29E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 3 10 180.36 4.04 29.18 1.30E-03 20 1.20E-07 8.66E-09 1.10E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 3 15 180.41 357.75 18.19 2.00E-03 20 2.01E-07 -8.08E-09 1.08E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 3 20 180.46 9.74 24.42 1.39E-03 20 1.32E-07 2.32E-08 9.97E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 3 25 180.51 24.98 27.35 1.25E-03 20 1.06E-07 5.07E-08 9.93E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 3 30 180.56 16.71 32.08 1.28E-03 20 1.10E-07 3.39E-08 1.18E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 3 35 180.61 13.15 29.09 1.58E-03 20 1.43E-07 3.41E-08 1.33E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 3 40 180.66 22.28 30.92 2.03E-03 20 1.71E-07 7.16E-08 1.81E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 3 45 180.71 38.69 43.79 1.50E-03 20 8.99E-08 7.36E-08 1.80E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 3 50 180.76 43.98 55.66 8.78E-04 20 3.78E-08 3.73E-08 1.26E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 3 55 180.81 24.05 44.79 1.01E-03 20 6.94E-08 3.17E-08 1.23E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 3 60 180.86 19.26 37.49 1.07E-03 20 8.51E-08 3.04E-08 1.13E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 3 65 180.91 7.74 36.65 1.06E-03 20 8.98E-08 1.25E-08 1.10E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 3 70 180.96 350.53 36.37 1.22E-03 20 1.03E-07 -1.75E-08 1.25E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 3 75 181.01 358.31 31.88 1.51E-03 20 1.36E-07 -4.11E-09 1.38E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 3 80 181.06 359.83 31.04 1.29E-03 20 1.17E-07 -3.48E-10 1.15E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 3 85 181.11 0.32 31.81 9.64E-04 20 8.69E-08 4.92E-10 8.81E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 3 90 181.16 6.74 31.45 8.36E-04 20 7.51E-08 9.08E-09 7.56E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 3 95 181.21 16.1 27.83 9.06E-04 20 8.16E-08 2.41E-08 7.33E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 3 100 181.26 18.76 31.98 7.39E-04 20 6.29E-08 2.19E-08 6.78E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 3 105 181.31 10.7 35.46 7.74E-04 20 6.57E-08 1.27E-08 7.79E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 3 110 181.36 12.99 31.72 1.03E-03 20 9.02E-08 2.13E-08 9.35E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 3 115 181.41 3.36 37.99 1.09E-03 20 9.11E-08 5.48E-09 1.17E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 3 120 181.46 1.29 44.36 1.01E-03 20 7.62E-08 1.76E-09 1.22E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 3 125 181.51 7.95 44.29 8.17E-04 20 6.14E-08 8.77E-09 9.89E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 3 130 181.56 4.06 39.2 7.79E-04 20 6.39E-08 4.64E-09 8.53E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 3 135 181.61 353.37 32.18 9.88E-04 20 8.81E-08 -1.05E-08 9.12E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 3 140 181.66 353.14 31.32 9.65E-04 20 8.68E-08 -1.07E-08 8.70E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 3 145 181.71 354.01 33.76 6.54E-04 20 5.73E-08 -6.15E-09 6.30E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 3 150 181.76 3.89 36.62 3.77E-04 20 3.20E-08 2.23E-09 3.90E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 0 181.76 3.86 36.66 1.65E-04 20 1.40E-08 9.68E-10 1.71E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 5 181.81 5.39 26.38 6.74E-04 20 6.38E-08 6.16E-09 5.19E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 10 181.86 7.93 27.43 8.92E-04 20 8.32E-08 1.19E-08 7.13E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 15 181.91 8 29.15 8.56E-04 20 7.86E-08 1.13E-08 7.23E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 20 181.96 7.35 33.59 7.43E-04 20 6.51E-08 8.59E-09 7.13E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 25 182.01 13.68 35.4 6.67E-04 20 5.60E-08 1.39E-08 6.70E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 30 182.06 47.9 45.85 4.05E-04 20 2.01E-08 2.27E-08 5.04E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 35 182.11 58.96 34.72 3.33E-04 20 1.50E-08 2.54E-08 3.29E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 40 182.16 47.6 30.51 4.05E-04 20 2.49E-08 2.79E-08 3.56E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 45 182.21 39.06 51.78 3.19E-04 20 1.63E-08 1.35E-08 4.35E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 50 182.26 17.87 63.9 3.25E-04 20 1.44E-08 4.76E-09 5.06E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 55 182.31 357.07 50.43 3.71E-04 20 2.50E-08 -1.31E-09 4.96E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 60 182.36 356.93 36.09 5.13E-04 20 4.39E-08 -2.41E-09 5.24E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 65 182.41 355.93 26.59 6.88E-04 20 6.51E-08 -4.74E-09 5.34E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 70 182.46 357.99 21.85 9.40E-04 20 9.25E-08 -3.32E-09 6.06E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 75 182.51 357.92 22.1 1.14E-03 20 1.12E-07 -4.16E-09 7.46E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 80 182.56 355.43 25.38 1.09E-03 20 1.04E-07 -8.52E-09 8.11E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 85 182.61 352.64 28.17 8.61E-04 20 7.98E-08 -1.05E-08 7.04E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 90 182.66 356.55 28.82 6.66E-04 20 6.17E-08 -3.81E-09 5.56E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 95 182.71 9.52 33.2 5.17E-04 20 4.53E-08 7.76E-09 4.91E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 100 182.76 16.66 43.17 4.88E-04 20 3.62E-08 1.11E-08 5.79E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 105 182.81 12.78 47.18 5.58E-04 20 3.92E-08 9.10E-09 7.09E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 110 182.86 7.45 42.8 6.32E-04 20 4.88E-08 6.53E-09 7.45E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 115 182.91 12.55 41.82 5.78E-04 20 4.46E-08 1.01E-08 6.68E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 120 182.96 356.66 40.84 5.01E-04 20 4.01E-08 -2.39E-09 5.68E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 125 183.01 349.26 40.06 5.00E-04 20 3.99E-08 -7.74E-09 5.58E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 130 183.06 352.68 35.38 5.29E-04 20 4.54E-08 -5.96E-09 5.31E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 135 183.11 2.37 30.41 6.30E-04 20 5.76E-08 2.43E-09 5.53E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 140 183.16 4.63 30.03 6.20E-04 20 5.67E-08 4.69E-09 5.38E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 145 183.21 357.82 23.39 6.18E-04 20 6.01E-08 -2.34E-09 4.26E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 4 150 183.26 357.91 33.43 3.42E-04 20 3.03E-08 -1.13E-09 3.27E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 5 0 183.26 354.29 27.03 2.36E-04 20 2.22E-08 -2.27E-09 1.86E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 5 5 183.31 2.41 28.81 5.71E-04 20 5.31E-08 2.28E-09 4.77E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 5 10 183.36 6.38 37.27 5.08E-04 20 4.26E-08 4.87E-09 5.33E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 5 15 183.41 16.48 40.01 4.29E-04 20 3.34E-08 1.01E-08 4.78E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 5 20 183.46 16.93 33.63 5.62E-04 20 4.75E-08 1.48E-08 5.40E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 5 25 183.51 12.55 37.54 6.92E-04 20 5.68E-08 1.29E-08 7.31E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 5 30 183.56 21.31 56.41 5.50E-04 20 3.01E-08 1.20E-08 7.95E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 5 35 183.61 38 43.84 6.20E-04 20 3.74E-08 2.99E-08 7.45E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 5 40 183.66 37.86 38.41 7.28E-04 20 4.78E-08 3.80E-08 7.84E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 5 45 183.71 15.67 36.02 6.16E-04 20 5.09E-08 1.46E-08 6.28E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 5 50 183.76 10.34 31.15 7.59E-04 20 6.78E-08 1.27E-08 6.81E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 5 55 183.81 0.81 36.03 8.25E-04 20 7.07E-08 1.02E-09 8.41E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 5 60 183.86 348.39 42.01 7.72E-04 20 5.96E-08 -1.25E-08 8.96E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 5 65 183.91 353.08 40.65 7.52E-04 20 6.01E-08 -7.47E-09 8.50E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 5 70 183.96 15.47 28.14 1.01E-03 20 9.13E-08 2.58E-08 8.28E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 5 75 184.01 17.84 25.95 1.07E-03 20 9.69E-08 3.19E-08 8.09E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 5 80 184.06 14.36 34.45 7.78E-04 20 6.59E-08 1.73E-08 7.63E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 5 85 184.11 8.14 36.33 6.80E-04 20 5.75E-08 8.42E-09 6.99E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 5 90 184.16 6.12 38.19 8.77E-04 20 7.27E-08 7.98E-09 9.40E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 5 95 184.21 0.37 36.44 1.10E-03 20 9.35E-08 6.15E-10 1.13E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 5 100 184.26 359.25 40.28 1.21E-03 20 9.82E-08 -1.32E-09 1.36E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 5 105 184.31 8.03 35.79 1.28E-03 20 1.09E-07 1.57E-08 1.30E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 5 110 184.36 353.88 39.8 1.06E-03 20 8.55E-08 -9.38E-09 1.17E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 5 115 184.41 337.84 40.81 7.85E-04 20 5.83E-08 -2.43E-08 8.89E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 5 120 184.46 333.69 29.53 8.92E-04 20 7.38E-08 -3.73E-08 7.62E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 5 125 184.51 338.56 27.1 9.19E-04 20 8.08E-08 -3.24E-08 7.26E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 5 130 184.56 349.01 32.01 6.58E-04 20 5.81E-08 -1.15E-08 6.04E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 5 135 184.61 357.94 25.63 6.28E-04 20 6.00E-08 -2.20E-09 4.71E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 5 140 184.66 3.1 21.46 7.63E-04 20 7.52E-08 4.16E-09 4.84E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 5 145 184.71 11.99 21.18 7.09E-04 20 6.86E-08 1.49E-08 4.44E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 6 0 184.76 7.32 33.12 2.61E-04 20 2.30E-08 3.02E-09 2.47E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 6 5 184.81 15.36 32 7.67E-04 20 6.65E-08 1.87E-08 7.05E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 6 10 184.86 11.06 33.82 9.89E-04 20 8.55E-08 1.71E-08 9.54E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 6 15 184.91 4.67 29.32 1.20E-03 20 1.11E-07 9.25E-09 1.02E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 6 20 184.96 9.28 31.26 1.19E-03 20 1.06E-07 1.77E-08 1.07E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 6 25 185.01 11.18 33.36 9.11E-04 20 7.92E-08 1.60E-08 8.69E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 6 30 185.06 15.34 25.27 1.06E-03 20 9.81E-08 2.75E-08 7.85E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 6 35 185.11 16.57 26.36 1.02E-03 20 9.30E-08 2.83E-08 7.85E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 6 40 185.16 12.79 24.72 1.02E-03 20 9.55E-08 2.22E-08 7.37E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 6 45 185.21 5.07 22.45 1.31E-03 20 1.28E-07 1.16E-08 8.68E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 6 50 185.26 4 27.68 1.67E-03 20 1.57E-07 1.12E-08 1.35E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 6 55 185.31 3.58 40.33 1.75E-03 20 1.41E-07 9.03E-09 1.96E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 6 60 185.36 355.56 42.21 2.37E-03 20 1.86E-07 -1.48E-08 2.77E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 6 65 185.41 358.67 42.11 3.26E-03 20 2.57E-07 -6.09E-09 3.80E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 6 70 185.46 11.99 43.06 3.25E-03 20 2.46E-07 5.34E-08 3.84E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 6 75 185.51 9.79 41.15 3.50E-03 20 2.75E-07 4.86E-08 3.99E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 6 80 185.56 358.89 38.97 4.38E-03 20 3.61E-07 -7.15E-09 4.78E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 6 85 185.61 6.82 40.82 4.61E-03 20 3.67E-07 4.49E-08 5.22E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 6 90 185.66 19.51 51.94 1.85E-03 20 1.14E-07 4.13E-08 2.53E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 6 95 185.71 8.97 49.49 1.20E-03 20 8.16E-08 1.32E-08 1.58E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 6 100 185.76 358.18 43.94 1.25E-03 20 9.51E-08 -3.09E-09 1.50E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 6 105 185.81 4.51 41.59 1.43E-03 20 1.13E-07 9.14E-09 1.65E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 6 110 185.86 22.54 56.36 7.74E-04 20 4.20E-08 1.78E-08 1.12E-07 4/2/97 Yes Yes 0 172 1063 C 21 H 6 115 185.91 61.21 62.32 4.09E-04 20 9.69E-09 1.80E-08 6.27E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 6 120 185.96 2.25 53.38 4.05E-04 20 2.56E-08 1.03E-09 5.64E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 6 125 186.01 19.69 52.32 4.81E-04 20 2.94E-08 1.08E-08 6.61E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 6 130 186.06 44.39 49.38 4.94E-04 20 2.44E-08 2.44E-08 6.51E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 6 135 186.11 20.1 56.52 4.29E-04 20 2.36E-08 8.83E-09 6.21E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 6 140 186.16 10.79 65.44 3.10E-04 20 1.34E-08 2.62E-09 4.89E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 6 145 186.21 9.71 56.65 2.75E-04 20 1.58E-08 2.76E-09 3.98E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 6 150 186.26 44.47 53.86 2.36E-04 20 1.05E-08 1.06E-08 3.30E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 7 0 186.26 350.85 39.67 1.05E-04 20 8.47E-09 -1.40E-09 1.16E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 7 5 186.31 286.15 85.45 1.34E-04 20 3.14E-10 -1.11E-09 2.32E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 7 10 186.36 72.48 -6.24 3.02E-04 20 9.59E-09 3.11E-08 -5.70E-09 4/2/97 Yes Yes 0 172 1063 C 21 H 7 15 186.41 8.73 20.24 5.69E-04 20 5.60E-08 8.80E-09 3.42E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 7 20 186.46 340.53 35.02 5.67E-04 20 4.64E-08 -1.68E-08 5.64E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 7 25 186.51 349.54 39.02 6.31E-04 20 5.12E-08 -9.66E-09 6.89E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 7 30 186.56 351.47 43.09 5.69E-04 20 4.36E-08 -6.69E-09 6.74E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 7 35 186.61 359.86 47.55 4.72E-04 20 3.38E-08 -8.62E-11 6.03E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 7 40 186.66 358.43 42.29 4.70E-04 20 3.69E-08 -1.04E-09 5.48E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 7 45 186.71 0.49 45.1 5.45E-04 20 4.08E-08 3.57E-10 6.70E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 7 50 186.76 346.55 52.99 4.18E-04 20 2.59E-08 -6.35E-09 5.79E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 7 55 186.81 347.24 44.7 4.00E-04 20 2.94E-08 -6.81E-09 4.88E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 7 60 186.86 358.28 49.62 3.85E-04 20 2.65E-08 -8.14E-10 5.09E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 7 65 186.91 8.98 56.05 3.31E-04 20 1.93E-08 3.13E-09 4.76E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 7 70 186.96 4.51 47.37 4.27E-04 20 3.06E-08 2.47E-09 5.45E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 7 75 187.01 351.72 48.62 5.05E-04 20 3.50E-08 -5.21E-09 6.56E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 7 80 187.06 1.52 46.13 4.67E-04 20 3.43E-08 9.34E-10 5.84E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 7 85 187.11 2.82 33.75 4.59E-04 20 4.04E-08 2.03E-09 4.42E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 7 90 187.16 347.28 34.07 3.78E-04 20 3.24E-08 -7.48E-09 3.68E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 7 95 187.21 155.35 -23.69 5.87E-05 20 -5.18E-09 2.43E-09 -4.09E-09 4/2/97 Yes Yes 0 172 1063 C 21 H 7 100 187.26 122 -45.8 3.20E-04 20 -1.25E-08 2.05E-08 -3.98E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 7 105 187.31 117.71 -54.68 1.94E-04 20 -5.54E-09 1.08E-08 -2.75E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 7 110 187.36 86.5 -62.88 1.96E-04 20 5.77E-10 9.65E-09 -3.02E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 7 115 187.41 57.94 -33.53 3.31E-04 20 1.55E-08 2.54E-08 -3.17E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 7 120 187.46 58.83 -25.42 2.29E-04 20 1.14E-08 1.92E-08 -1.71E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 7 125 187.51 101.22 -4.72 1.09E-04 20 -2.24E-09 1.15E-08 -1.55E-09 4/2/97 Yes Yes 0 172 1063 C 21 H 7 130 187.56 76.99 16.18 1.58E-04 20 3.63E-09 1.61E-08 7.65E-09 4/2/97 Yes Yes 0 172 1063 C 21 H 7 135 187.61 126.61 6.26 1.43E-04 20 -8.99E-09 1.24E-08 2.70E-09 4/2/97 Yes Yes 0 172 1063 C 21 H 7 140 187.66 163.84 -33.1 2.15E-04 20 -1.84E-08 5.44E-09 -2.04E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 7 145 187.71 152.1 -26.6 2.76E-04 20 -2.31E-08 1.25E-08 -2.14E-08 4/2/97 Yes Yes 0 172 1063 C 21 H 7 150 187.76 140.89 -23.87 1.98E-04 20 -1.49E-08 1.24E-08 -1.39E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 1 0 187.9 283.26 41.92 8.17E-03 20 1.48E-07 -6.42E-07 9.46E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 1 5 187.95 246.66 37.94 8.42E-03 20 -2.79E-07 -6.62E-07 8.98E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 1 10 188 163.69 13.77 2.33E-03 20 -2.30E-07 6.88E-08 9.60E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 1 15 188.05 172.76 -10.07 2.95E-03 20 -3.05E-07 3.97E-08 -8.93E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 1 20 188.1 192.12 -14.25 8.23E-03 20 -8.27E-07 -1.82E-07 -3.51E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 1 25 188.15 196.72 -15.26 1.19E-02 20 -1.16E-06 -3.57E-07 -5.41E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 1 30 188.2 198.84 -21.58 4.61E-03 20 -4.31E-07 -1.50E-07 -2.94E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 1 35 188.25 177.78 -43.45 9.25E-04 20 -7.11E-08 2.82E-09 -1.10E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 1 40 188.3 177.21 -31.22 6.35E-04 20 -5.75E-08 2.86E-09 -5.71E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 1 45 188.35 127.99 -12.08 2.05E-04 20 -1.31E-08 1.72E-08 -7.44E-09 4/2/97 Yes Yes 0 172 1063 C 22 H 1 50 188.4 122.56 1.89 6.43E-04 20 -3.67E-08 5.87E-08 3.68E-09 4/2/97 Yes Yes 0 172 1063 C 22 H 1 55 188.45 122.5 20.69 4.73E-04 20 -2.52E-08 4.04E-08 2.89E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 1 60 188.5 162.03 40.57 2.70E-04 20 -2.07E-08 6.85E-09 3.04E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 1 65 188.55 175.54 42.8 2.03E-04 20 -1.57E-08 1.25E-09 2.39E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 1 70 188.6 196.5 54.56 1.69E-04 20 -9.94E-09 -3.01E-09 2.38E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 1 75 188.65 160.51 45.47 2.27E-04 20 -1.59E-08 5.76E-09 2.80E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 1 80 188.7 141.16 26.05 8.80E-04 20 -6.53E-08 5.38E-08 6.70E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 1 85 188.75 155.09 25.31 1.44E-03 20 -1.25E-07 5.95E-08 1.07E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 2 0 188.79 308.41 51.57 1.44E-04 20 5.90E-09 -7.61E-09 1.96E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 2 5 188.84 196.12 66.67 2.82E-04 20 -1.14E-08 -3.37E-09 4.49E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 2 10 188.89 125.69 64.3 4.52E-04 20 -1.21E-08 1.73E-08 7.06E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 2 15 188.94 90.81 51.14 7.22E-04 20 -6.80E-10 4.91E-08 9.75E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 2 20 188.99 95.61 59.11 6.78E-04 20 -3.61E-09 3.76E-08 1.01E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 2 25 189.04 141.83 49.96 6.75E-04 20 -3.62E-08 2.91E-08 8.95E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 2 30 189.09 131.44 42.02 7.27E-04 20 -3.79E-08 4.39E-08 8.43E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 2 35 189.14 207.61 64.74 5.96E-04 20 -2.39E-08 -1.28E-08 9.35E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 2 40 189.19 217.63 74.97 8.54E-04 20 -1.86E-08 -1.47E-08 1.43E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 2 45 189.24 103.8 78.07 1.26E-03 20 -6.57E-09 2.73E-08 2.13E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 2 50 189.29 349.94 64.28 1.72E-03 20 7.79E-08 -1.41E-08 2.68E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 2 55 189.34 330.85 34.48 3.04E-03 20 2.32E-07 -1.32E-07 2.98E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 2 60 189.39 336.82 36.06 3.13E-03 20 2.47E-07 -1.08E-07 3.20E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 2 65 189.44 4.09 33.83 3.76E-03 20 3.30E-07 2.41E-08 3.62E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 2 70 189.49 5.38 37.61 4.11E-03 20 3.44E-07 3.31E-08 4.35E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 2 75 189.54 5.87 44.31 4.23E-03 20 3.19E-07 3.36E-08 5.12E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 2 80 189.59 9.61 50.77 4.33E-03 20 2.86E-07 4.95E-08 5.81E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 2 85 189.64 339.99 63.88 3.35E-03 20 1.47E-07 -5.48E-08 5.22E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 2 90 189.69 218.83 48.43 1.23E-03 20 -6.77E-08 -5.57E-08 1.60E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 2 95 189.74 150.67 -13.9 5.34E-03 20 -4.79E-07 2.75E-07 -2.22E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 2 100 189.79 156.19 -14.41 9.29E-03 20 -8.73E-07 3.94E-07 -4.01E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 2 105 189.84 178.87 -26.29 7.38E-03 20 -7.02E-07 1.41E-08 -5.67E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 2 110 189.89 185.8 -45.66 5.35E-03 20 -3.94E-07 -4.10E-08 -6.63E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 2 115 189.94 181.67 -45.36 2.65E-03 20 -1.97E-07 -5.88E-09 -3.27E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 2 120 189.99 219.93 -5.25 2.89E-03 20 -2.34E-07 -2.01E-07 -4.59E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 2 125 190.04 233.26 6.5 1.45E-03 20 -9.17E-08 -1.26E-07 2.85E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 2 130 190.09 234.38 59.85 2.34E-04 20 -7.25E-09 -1.03E-08 3.50E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 2 135 190.14 198.68 13.27 4.36E-04 20 -4.27E-08 -1.48E-08 1.74E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 2 140 190.19 202.45 -1.18 4.65E-04 20 -4.55E-08 -1.92E-08 -1.66E-09 4/2/97 Yes Yes 0 172 1063 C 22 H 2 145 190.24 208.03 -3.21 2.91E-04 20 -2.72E-08 -1.48E-08 -2.82E-09 4/2/97 Yes Yes 0 172 1063 C 22 H 2 150 190.29 194.81 -3.77 1.24E-04 20 -1.27E-08 -3.42E-09 -1.41E-09 4/2/97 Yes Yes 0 172 1063 C 22 H 3 0 190.29 261.87 5.55 2.42E-04 20 -3.62E-09 -2.59E-08 4.06E-09 4/2/97 Yes Yes 0 172 1063 C 22 H 3 5 190.34 177.12 6.89 2.41E-04 20 -2.54E-08 1.31E-09 5.02E-09 4/2/97 Yes Yes 0 172 1063 C 22 H 3 10 190.39 106.3 -15.12 5.45E-04 20 -1.57E-08 5.48E-08 -2.47E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 3 15 190.44 134.87 -31.97 1.92E-04 20 -1.22E-08 1.25E-08 -1.76E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 3 20 190.49 217.05 -16.18 2.11E-04 20 -1.72E-08 -1.33E-08 -1.02E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 3 25 190.54 217.15 -22.03 3.20E-04 20 -2.51E-08 -1.94E-08 -2.08E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 3 30 190.59 233.34 -50.49 4.80E-04 20 -1.94E-08 -2.66E-08 -6.42E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 3 35 190.64 186.57 -40.94 1.52E-03 20 -1.21E-07 -1.42E-08 -1.72E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 3 40 190.69 165.57 -19.66 6.53E-03 20 -6.32E-07 1.66E-07 -3.81E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 3 45 190.74 161.46 -15.62 1.20E-02 20 -1.16E-06 3.99E-07 -5.60E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 3 50 190.79 161.05 -17.85 8.79E-03 20 -8.39E-07 2.95E-07 -4.67E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 3 55 190.84 194.07 -8.84 1.16E-02 20 -1.18E-06 -3.02E-07 -3.09E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 3 60 190.89 207.06 -9.3 1.63E-02 20 -1.52E-06 -7.95E-07 -4.57E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 3 65 190.94 206.1 -23.79 4.32E-03 20 -3.76E-07 -1.88E-07 -3.02E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 3 70 190.99 151.3 -37.2 2.41E-03 20 -1.79E-07 9.99E-08 -2.52E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 3 75 191.04 167.09 -29.38 2.96E-03 20 -2.66E-07 6.24E-08 -2.51E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 3 80 191.09 196.56 -23.35 4.86E-03 20 -4.54E-07 -1.38E-07 -3.34E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 3 85 191.14 202.8 -31.24 3.07E-03 20 -2.57E-07 -1.10E-07 -2.76E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 3 90 191.19 192.19 -44.39 1.25E-03 20 -9.24E-08 -2.04E-08 -1.51E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 3 95 191.24 206.92 -36.75 5.83E-04 20 -4.42E-08 -2.29E-08 -6.05E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 3 100 191.29 213.33 -18.63 6.35E-04 20 -5.33E-08 -3.59E-08 -3.52E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 3 105 191.34 193.61 -8.25 8.43E-04 20 -8.60E-08 -2.13E-08 -2.10E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 3 110 191.39 175.48 -7.59 9.07E-04 20 -9.51E-08 7.68E-09 -2.08E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 3 115 191.44 174.5 -15.06 6.86E-04 20 -6.99E-08 6.89E-09 -3.09E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 3 120 191.49 182.06 -28.8 4.79E-04 20 -4.45E-08 -1.64E-09 -4.00E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 3 125 191.54 206.23 -33.35 5.73E-04 20 -4.55E-08 -2.30E-08 -5.46E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 3 130 191.59 213.09 -41.33 7.73E-04 20 -5.16E-08 -3.44E-08 -8.85E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 3 135 191.64 202.9 -30.67 1.53E-03 20 -1.28E-07 -5.54E-08 -1.35E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 3 140 191.69 220.1 -19.59 3.97E-03 20 -3.04E-07 -2.62E-07 -2.31E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 3 145 191.74 226.95 -18.79 3.80E-03 20 -2.61E-07 -2.85E-07 -2.12E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 3 150 191.79 230.94 -23.1 1.90E-03 20 -1.17E-07 -1.47E-07 -1.29E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 4 0 191.79 192.48 -24.41 4.47E-04 20 -4.22E-08 -9.54E-09 -3.20E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 4 5 191.84 199.74 -12.57 2.13E-03 20 -2.08E-07 -7.63E-08 -8.05E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 4 10 191.89 196.11 -13.76 1.95E-03 20 -1.93E-07 -5.70E-08 -8.05E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 4 15 191.94 181.7 -12.78 1.20E-03 20 -1.24E-07 -3.75E-09 -4.59E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 4 20 191.99 166.83 -16.32 8.05E-04 20 -7.98E-08 1.91E-08 -3.92E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 4 25 192.04 178.77 -20.44 4.73E-04 20 -4.70E-08 1.03E-09 -2.87E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 4 30 192.09 178.34 -15.5 7.66E-04 20 -7.83E-08 2.33E-09 -3.55E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 4 35 192.14 174.93 -21.34 7.81E-04 20 -7.69E-08 6.98E-09 -4.93E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 4 40 192.19 164.35 -19.14 6.25E-04 20 -6.03E-08 1.73E-08 -3.55E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 4 45 192.24 170.21 -16.1 5.07E-04 20 -5.09E-08 8.97E-09 -2.43E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 4 50 192.29 185.17 -16.57 5.83E-04 20 -5.90E-08 -5.45E-09 -2.88E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 4 55 192.34 198.44 -22.36 8.57E-04 20 -7.98E-08 -2.72E-08 -5.65E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 4 60 192.39 192.42 -27.21 1.02E-03 20 -9.35E-08 -2.11E-08 -8.05E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 4 65 192.44 179.66 -40.58 7.86E-04 20 -6.33E-08 3.83E-10 -8.86E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 4 70 192.49 176.33 -38.21 9.27E-04 20 -7.71E-08 5.06E-09 -9.94E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 4 75 192.54 182.93 -21.99 2.05E-03 20 -2.01E-07 -1.05E-08 -1.33E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 4 80 192.59 185.17 -30.63 1.97E-03 20 -1.79E-07 -1.66E-08 -1.74E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 4 85 192.64 239.43 -54.26 1.07E-03 20 -3.37E-08 -5.84E-08 -1.51E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 4 90 192.69 219.19 -52.79 7.23E-04 20 -3.60E-08 -3.00E-08 -9.99E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 4 95 192.74 182.97 -19.36 2.09E-03 20 -2.09E-07 -1.11E-08 -1.20E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 4 100 192.79 183.77 -18.04 3.53E-03 20 -3.55E-07 -2.39E-08 -1.90E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 4 105 192.84 178.63 -25.4 1.92E-03 20 -1.84E-07 4.51E-09 -1.43E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 4 110 192.89 175.49 -32.35 1.17E-03 20 -1.04E-07 8.41E-09 -1.08E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 4 115 192.94 186.56 -16.41 3.05E-03 20 -3.08E-07 -3.62E-08 -1.49E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 4 120 192.99 197.15 -19.13 2.35E-03 20 -2.25E-07 -7.12E-08 -1.34E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 4 125 193.04 219.79 -28.21 1.56E-03 20 -1.12E-07 -9.55E-08 -1.28E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 4 130 193.09 199 -37.88 1.16E-03 20 -9.18E-08 -3.23E-08 -1.23E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 4 135 193.14 158.89 -30.76 5.29E-04 20 -4.50E-08 1.78E-08 -4.69E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 4 140 193.19 166 -17.2 2.56E-04 20 -2.52E-08 6.41E-09 -1.31E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 4 145 193.24 207.58 -3.65 2.19E-04 20 -2.05E-08 -1.10E-08 -2.41E-09 4/2/97 Yes Yes 0 172 1063 C 22 H 4 150 193.29 203.82 -1.29 1.79E-04 20 -1.74E-08 -7.84E-09 -6.98E-10 4/2/97 Yes Yes 0 172 1063 C 22 H 5 0 193.29 6.78 -25.11 4.28E-04 20 4.08E-08 4.96E-09 -3.15E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 5 5 193.34 189.34 -18.58 2.19E-03 20 -2.18E-07 -3.66E-08 -1.21E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 5 10 193.39 190.3 -11.85 6.90E-03 20 -7.05E-07 -1.31E-07 -2.46E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 5 15 193.44 186.99 -16.32 3.78E-03 20 -3.81E-07 -4.78E-08 -1.84E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 5 20 193.49 65.97 -69.87 2.85E-04 20 4.24E-09 9.73E-09 -4.64E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 5 25 193.54 179.68 -33.11 3.47E-04 20 -3.08E-08 1.74E-10 -3.28E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 5 30 193.59 181.23 -12.29 1.94E-03 20 -2.01E-07 -4.41E-09 -7.15E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 5 35 193.64 187.29 -6.57 4.18E-03 20 -4.37E-07 -5.71E-08 -8.29E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 5 40 193.69 188.4 -5.78 6.40E-03 20 -6.69E-07 -1.01E-07 -1.12E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 5 45 193.74 188.07 -10.88 4.12E-03 20 -4.25E-07 -6.17E-08 -1.35E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 5 50 193.79 174.31 -19.66 1.95E-03 20 -1.94E-07 1.98E-08 -1.14E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 5 55 193.84 87.43 -63.91 5.34E-04 20 1.12E-09 2.55E-08 -8.32E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 5 60 193.89 209.3 -13.24 5.69E-03 20 -5.12E-07 -2.94E-07 -2.26E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 5 65 193.94 210.83 -13.56 1.64E-02 20 -1.45E-06 -8.86E-07 -6.67E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 5 70 193.99 202.24 -15.37 1.92E-02 20 -1.82E-06 -7.59E-07 -8.81E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 5 75 194.04 186.95 -17.95 1.82E-02 20 -1.82E-06 -2.27E-07 -9.73E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 5 80 194.09 185.9 -22.55 1.49E-02 20 -1.45E-06 -1.53E-07 -9.90E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 5 85 194.14 193.86 -26.64 1.07E-02 20 -9.83E-07 -2.48E-07 -8.30E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 5 90 194.19 195.56 -25.37 8.37E-03 20 -7.73E-07 -2.20E-07 -6.22E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 5 95 194.24 194.94 -19.86 8.47E-03 20 -8.16E-07 -2.23E-07 -4.99E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 5 100 194.29 199.34 -12.99 1.07E-02 20 -1.04E-06 -3.75E-07 -4.18E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 5 105 194.34 202.7 -6.43 1.12E-02 20 -1.09E-06 -4.66E-07 -2.17E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 5 110 194.39 204.12 -2.07 1.46E-02 20 -1.41E-06 -6.45E-07 -9.11E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 5 115 194.44 204.01 -1.51 5.38E-03 20 -5.21E-07 -2.37E-07 -2.45E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 5 120 194.49 41.89 41.31 5.67E-04 20 3.36E-08 3.08E-08 6.49E-08 4/2/97 Yes Yes 0 172 1063 C 22 H 5 125 194.54 186.83 53.26 9.51E-04 20 -5.99E-08 -7.34E-09 1.32E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 5 130 194.59 199.64 56.1 1.26E-03 20 -7.04E-08 -2.57E-08 1.82E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 5 135 194.64 216.22 67.25 1.41E-03 20 -4.67E-08 -3.50E-08 2.26E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 5 140 194.69 216.21 68.21 1.70E-03 20 -5.41E-08 -4.05E-08 2.74E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 5 145 194.74 223.73 70.26 1.73E-03 20 -4.49E-08 -4.39E-08 2.83E-07 4/2/97 Yes Yes 0 172 1063 C 22 H 5 150 194.79 219.9 70.45 1.27E-03 20 -3.46E-08 -2.95E-08 2.07E-07 4/2/97 Yes Yes 0 172 1063 C 23 H 1 0 195.2 193.47 0.68 1.35E-03 20 -1.39E-07 -3.41E-08 2.76E-09 4/2/97 Yes Yes 0 172 1063 C 23 H 1 5 195.25 196.43 -7.61 5.25E-04 20 -5.30E-08 -1.60E-08 -1.21E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 1 10 195.3 351.06 6.22 4.44E-04 20 4.62E-08 -7.43E-09 8.34E-09 4/2/97 Yes Yes 0 172 1063 C 23 H 1 15 195.35 3.39 33.58 2.93E-04 20 2.58E-08 1.56E-09 2.80E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 1 20 195.4 13.92 12.48 2.89E-04 20 2.90E-08 7.35E-09 1.08E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 1 25 195.45 2.4 16.78 3.67E-04 20 3.72E-08 1.59E-09 1.83E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 1 30 195.5 307.24 -1.84 4.82E-04 20 3.09E-08 -4.16E-08 -2.68E-09 4/2/97 Yes Yes 0 172 1063 C 23 H 1 35 195.55 323.99 3.9 1.05E-04 20 9.01E-09 -6.70E-09 1.24E-09 4/2/97 Yes Yes 0 172 1063 C 23 H 1 40 195.6 108.39 8.76 3.09E-04 20 -1.02E-08 3.15E-08 8.17E-09 4/2/97 Yes Yes 0 172 1063 C 23 H 1 45 195.65 114.76 45.33 4.53E-04 20 -1.41E-08 3.13E-08 5.58E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 1 50 195.7 27.49 75.58 2.90E-04 20 6.79E-09 3.61E-09 4.87E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 1 55 195.75 359.81 66.45 2.54E-04 20 1.08E-08 -3.69E-11 4.03E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 1 60 195.8 1.32 59.48 2.12E-04 20 1.14E-08 2.70E-10 3.17E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 1 65 195.85 353.13 62.36 1.74E-04 20 8.52E-09 -1.05E-09 2.68E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 1 70 195.9 316.84 71.14 1.41E-04 20 3.52E-09 -3.37E-09 2.31E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 1 75 195.95 211.27 62.7 1.48E-04 20 -6.15E-09 -3.82E-09 2.28E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 1 80 196 71.54 75.29 1.36E-04 20 1.16E-09 3.56E-09 2.29E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 1 85 196.05 300.39 83.04 1.58E-04 20 1.03E-09 -1.79E-09 2.72E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 1 90 196.1 146 86.45 1.75E-04 20 -9.54E-10 6.58E-10 3.03E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 1 95 196.15 119.43 63.92 1.87E-04 20 -4.29E-09 7.77E-09 2.91E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 1 100 196.2 352.8 30.1 5.82E-04 20 5.30E-08 -6.85E-09 5.06E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 1 105 196.25 326.4 31.63 8.37E-04 20 6.29E-08 -4.28E-08 7.61E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 1 110 196.3 295.86 44.28 2.99E-04 20 9.90E-09 -2.09E-08 3.62E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 1 115 196.35 340.92 46 1.50E-04 20 1.05E-08 -3.70E-09 1.88E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 1 120 196.4 354.68 33.43 1.78E-04 20 1.57E-08 -1.49E-09 1.70E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 1 125 196.45 354.13 38.18 1.61E-04 20 1.34E-08 -1.41E-09 1.73E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 1 130 196.5 342.55 48.8 1.73E-04 20 1.15E-08 -3.70E-09 2.25E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 1 135 196.55 2.51 70 1.66E-04 20 6.00E-09 2.69E-10 2.70E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 1 140 196.6 340.63 74.43 1.39E-04 20 3.73E-09 -1.34E-09 2.32E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 1 145 196.65 325.51 72.21 1.23E-04 20 3.29E-09 -2.31E-09 2.03E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 1 150 196.7 48.77 67.4 6.84E-05 20 1.84E-09 2.15E-09 1.10E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 2 0 196.7 350.18 38.43 1.38E-04 20 1.13E-08 -2.00E-09 1.49E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 2 5 196.75 10.96 46.49 3.91E-04 20 2.80E-08 5.55E-09 4.91E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 2 10 196.8 2.37 62.78 3.73E-04 20 1.81E-08 7.66E-10 5.75E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 2 15 196.85 0.78 59.89 3.81E-04 20 2.02E-08 2.82E-10 5.71E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 2 20 196.9 56.57 60.08 3.65E-04 20 1.06E-08 1.65E-08 5.48E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 2 25 196.95 339.19 59.27 4.29E-04 20 2.17E-08 -8.45E-09 6.40E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 2 30 197 331.29 39.9 3.88E-04 20 2.77E-08 -1.55E-08 4.31E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 2 35 197.05 332.62 4.73 7.05E-04 20 6.62E-08 -3.50E-08 1.01E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 2 40 197.1 331.31 0.74 1.29E-03 20 1.20E-07 -6.74E-08 2.90E-09 4/2/97 Yes Yes 0 172 1063 C 23 H 2 45 197.15 314.03 0.77 6.92E-04 20 5.10E-08 -5.40E-08 1.61E-09 4/2/97 Yes Yes 0 172 1063 C 23 H 2 50 197.2 356.4 -3.95 3.61E-04 20 3.81E-08 -2.45E-09 -4.31E-09 4/2/97 Yes Yes 0 172 1063 C 23 H 2 55 197.25 3.5 22.86 3.24E-04 20 3.16E-08 1.98E-09 2.18E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 2 60 197.3 11.88 30.41 4.57E-04 20 4.09E-08 8.81E-09 4.01E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 2 65 197.35 14.24 34.81 5.38E-04 20 4.54E-08 1.18E-08 5.32E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 2 70 197.4 42.34 35.87 7.79E-04 20 4.95E-08 4.61E-08 7.92E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 2 75 197.45 69.87 38.9 1.01E-03 20 2.87E-08 8.01E-08 1.10E-07 4/2/97 Yes Yes 0 172 1063 C 23 H 2 80 197.5 78.18 54.13 7.14E-04 20 9.09E-09 4.44E-08 1.00E-07 4/2/97 Yes Yes 0 172 1063 C 23 H 2 85 197.55 334.43 82.33 3.37E-04 20 4.30E-09 -2.10E-09 5.79E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 2 90 197.6 320.25 41.78 3.53E-04 20 2.15E-08 -1.83E-08 4.08E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 2 95 197.65 342.79 35.79 5.70E-04 20 4.69E-08 -1.48E-08 5.78E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 2 100 197.7 10.23 37.22 8.64E-04 20 7.18E-08 1.33E-08 9.06E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 2 105 197.75 354.6 44.79 8.54E-04 20 6.40E-08 -6.18E-09 1.04E-07 4/2/97 Yes Yes 0 172 1063 C 23 H 2 110 197.8 343.95 48.5 6.36E-04 20 4.30E-08 -1.26E-08 8.26E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 2 115 197.85 55.05 24.38 9.78E-04 20 5.41E-08 7.92E-08 7.00E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 2 120 197.9 61 27.66 9.14E-04 20 4.16E-08 7.68E-08 7.35E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 2 125 197.95 15.94 31.21 4.38E-04 20 3.82E-08 1.11E-08 3.93E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 2 130 198 49.9 -8.28 8.23E-04 20 5.56E-08 6.75E-08 -2.05E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 2 135 198.05 76.57 -4.13 8.88E-04 20 2.18E-08 9.34E-08 -1.11E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 2 140 198.1 116.09 9.67 1.11E-03 20 -5.09E-08 1.06E-07 3.22E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 2 145 198.15 131.26 23.03 7.16E-04 20 -4.61E-08 5.37E-08 4.85E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 2 150 198.2 151.77 39.72 2.33E-04 20 -1.68E-08 9.20E-09 2.58E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 3 0 198.2 108.23 29.85 1.27E-04 20 -3.64E-09 1.13E-08 1.09E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 3 5 198.25 125.63 67.05 1.31E-04 20 -3.16E-09 4.51E-09 2.10E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 3 10 198.3 179.31 78.68 1.05E-04 20 -2.19E-09 2.70E-11 1.79E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 3 15 198.35 126.61 5.74 1.04E-04 20 -6.52E-09 8.97E-09 1.80E-09 4/2/97 Yes Yes 0 172 1063 C 23 H 3 20 198.4 97.88 -13.02 1.77E-04 20 -2.51E-09 1.85E-08 -6.92E-09 4/2/97 Yes Yes 0 172 1063 C 23 H 3 25 198.45 115.2 0.9 1.52E-04 20 -6.88E-09 1.50E-08 4.15E-10 4/2/97 Yes Yes 0 172 1063 C 23 H 3 30 198.5 93.74 -1.99 9.16E-05 20 -6.34E-10 9.91E-09 -5.52E-10 4/2/97 Yes Yes 0 172 1063 C 23 H 3 35 198.55 44.72 24.1 5.57E-05 20 3.83E-09 3.88E-09 3.94E-09 4/2/97 Yes Yes 0 172 1063 C 23 H 3 40 198.6 306.8 46.7 5.88E-05 20 2.56E-09 -3.50E-09 7.42E-09 4/2/97 Yes Yes 0 172 1063 C 23 H 3 45 198.65 314.7 49.29 7.43E-05 20 3.62E-09 -3.74E-09 9.77E-09 4/2/97 Yes Yes 0 172 1063 C 23 H 3 50 198.7 349.28 53.46 7.55E-05 20 4.69E-09 -9.07E-10 1.05E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 3 55 198.75 339.69 39.2 5.95E-05 20 4.59E-09 -1.74E-09 6.52E-09 4/2/97 Yes Yes 0 172 1063 C 23 H 3 60 198.8 32.04 42.98 6.03E-05 20 3.96E-09 2.54E-09 7.12E-09 4/2/97 Yes Yes 0 172 1063 C 23 H 3 65 198.85 7.81 66.74 7.43E-05 20 3.08E-09 4.33E-10 1.18E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 3 70 198.9 299.12 37.94 1.48E-04 20 6.04E-09 -1.11E-08 1.58E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 3 75 198.95 287.08 60.6 1.44E-04 20 2.20E-09 -7.33E-09 2.18E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 3 80 199 181.96 50.21 1.61E-04 20 -1.09E-08 -3.82E-10 2.14E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 3 85 199.05 200.72 45.14 1.68E-04 20 -1.18E-08 -4.55E-09 2.07E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 3 90 199.1 223.14 65.6 1.79E-04 20 -5.72E-09 -5.48E-09 2.82E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 3 95 199.15 168.03 60.87 1.90E-04 20 -9.62E-09 2.09E-09 2.88E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 3 100 199.2 157.79 36.67 1.81E-04 20 -1.42E-08 5.95E-09 1.87E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 3 105 199.25 144.21 12.07 1.27E-04 20 -1.07E-08 7.88E-09 4.60E-09 4/2/97 Yes Yes 0 172 1063 C 23 H 3 110 199.3 123.82 -8.08 1.17E-04 20 -6.85E-09 1.05E-08 -2.86E-09 4/2/97 Yes Yes 0 172 1063 C 23 H 3 115 199.35 128.63 -34.62 7.94E-05 20 -4.32E-09 5.53E-09 -7.82E-09 4/2/97 Yes Yes 0 172 1063 C 23 H 3 120 199.4 213.03 -56.79 1.03E-04 20 -5.03E-09 -3.35E-09 -1.50E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 3 125 199.45 192.05 -66.82 1.25E-04 20 -5.11E-09 -1.12E-09 -2.00E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 3 130 199.5 160.75 -46.81 1.82E-04 20 -1.25E-08 4.45E-09 -2.30E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 3 135 199.55 147.82 -39.47 2.21E-04 20 -1.53E-08 9.83E-09 -2.43E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 3 140 199.6 147.13 -24.29 2.29E-04 20 -1.86E-08 1.23E-08 -1.63E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 3 145 199.65 164.3 -5.64 2.26E-04 20 -2.30E-08 6.61E-09 -3.85E-09 4/2/97 Yes Yes 0 172 1063 C 23 H 3 150 199.7 180.85 2.19 1.23E-04 20 -1.30E-08 -1.97E-10 8.16E-10 4/2/97 Yes Yes 0 172 1063 C 23 H 4 0 199.7 187.92 51.44 2.73E-05 20 -1.79E-09 -2.54E-10 3.70E-09 4/2/97 Yes Yes 0 172 1063 C 23 H 4 5 199.75 174.5 23.63 1.40E-04 20 -1.35E-08 1.33E-09 9.74E-09 4/2/97 Yes Yes 0 172 1063 C 23 H 4 10 199.8 165.58 22.73 1.56E-04 20 -1.48E-08 3.88E-09 1.04E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 4 15 199.85 137.81 8.62 1.72E-04 20 -1.34E-08 1.24E-08 4.48E-09 4/2/97 Yes Yes 0 172 1063 C 23 H 4 20 199.9 124.5 10.07 1.54E-04 20 -9.09E-09 1.35E-08 4.65E-09 4/2/97 Yes Yes 0 172 1063 C 23 H 4 25 199.95 90.77 15.36 1.17E-04 20 -1.61E-10 1.23E-08 5.39E-09 4/2/97 Yes Yes 0 172 1063 C 23 H 4 30 200 161.08 57.75 9.92E-05 20 -5.31E-09 1.86E-09 1.45E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 4 35 200.05 195.81 29.89 2.11E-04 20 -1.87E-08 -5.41E-09 1.83E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 4 40 200.1 166.44 77.18 1.90E-04 20 -4.35E-09 1.07E-09 3.21E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 4 45 200.15 15.56 67.86 4.85E-04 20 1.87E-08 5.31E-09 7.78E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 4 50 200.2 254.59 72.4 7.09E-04 20 -6.04E-09 -2.24E-08 1.17E-07 4/2/97 Yes Yes 0 172 1063 C 23 H 4 55 200.25 200.47 71 6.51E-04 20 -2.11E-08 -8.04E-09 1.07E-07 4/2/97 Yes Yes 0 172 1063 C 23 H 4 60 200.3 159.32 58.65 4.53E-04 20 -2.34E-08 9.03E-09 6.71E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 4 65 200.35 185.71 72.87 2.14E-04 20 -6.66E-09 -6.81E-10 3.55E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 4 70 200.4 353.92 79.78 1.30E-04 20 2.44E-09 -2.65E-10 2.22E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 4 75 200.45 11.82 86.22 1.25E-04 20 8.52E-10 1.82E-10 2.15E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 4 80 200.5 268.49 87.06 1.46E-04 20 -2.10E-11 -8.14E-10 2.53E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 4 85 200.55 202.86 87.06 1.75E-04 20 -8.78E-10 -3.78E-10 3.03E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 4 90 200.6 223.41 78.04 2.36E-04 20 -3.77E-09 -3.64E-09 4.00E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 4 95 200.65 2.48 64.48 3.19E-04 20 1.46E-08 6.46E-10 4.99E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 4 100 200.7 343.81 70.38 4.95E-04 20 1.69E-08 -5.03E-09 8.08E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 4 105 200.75 206.4 74.81 5.71E-04 20 -1.42E-08 -7.22E-09 9.56E-08 4/2/97 Yes Yes 0 172 1063 C 23 H 4 110 200.8 192.64 38.78 3.94E-04 20 -3.18E-08 -7.29E-09 4.28E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 2 0 205.7 57.07 33.52 2.04E-03 20 9.80E-08 1.55E-07 1.95E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 5 205.75 40.23 80.27 1.88E-03 20 2.57E-08 2.22E-08 3.21E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 10 205.8 175.39 34.04 2.05E-03 20 -1.79E-07 1.48E-08 1.99E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 15 205.85 176.29 0.74 2.10E-03 20 -2.22E-07 1.47E-08 4.71E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 2 20 205.9 124.48 9.79 1.90E-03 20 -1.12E-07 1.67E-07 5.59E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 2 25 205.95 122.95 10.41 1.43E-03 20 -8.14E-08 1.28E-07 4.49E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 2 30 206 127.27 13.9 8.75E-04 20 -5.46E-08 7.33E-08 3.64E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 2 35 206.05 124.63 19.22 1.75E-03 20 -9.98E-08 1.48E-07 1.00E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 40 206.1 33.77 62.35 1.31E-03 20 5.36E-08 3.67E-08 2.01E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 45 206.15 43.98 63.59 1.99E-03 20 6.75E-08 6.66E-08 3.09E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 50 206.2 85.13 80.02 2.50E-03 20 3.90E-09 4.68E-08 4.27E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 55 206.25 85.77 53.09 4.02E-03 20 1.89E-08 2.61E-07 5.57E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 60 206.3 101.33 47.15 5.13E-03 20 -7.27E-08 3.71E-07 6.52E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 65 206.35 185.1 56.92 2.32E-03 20 -1.34E-07 -1.22E-08 3.38E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 70 206.4 181.95 63.98 1.69E-03 20 -7.84E-08 -2.73E-09 2.63E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 75 206.45 171.55 41.51 1.69E-03 20 -1.33E-07 2.02E-08 1.94E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 80 206.5 158.03 46.14 1.27E-03 20 -8.66E-08 3.57E-08 1.59E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 85 206.55 152.43 73.28 1.32E-03 20 -3.57E-08 1.91E-08 2.19E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 90 206.6 166.73 66 2.05E-03 20 -8.60E-08 2.07E-08 3.24E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 95 206.65 160.39 46.31 5.71E-03 20 -3.94E-07 1.44E-07 7.16E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 100 206.7 139.47 56.68 6.11E-03 20 -2.71E-07 2.37E-07 8.85E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 105 206.75 65.18 47.53 1.69E-02 20 5.09E-07 1.12E-06 2.16E-06 4/2/97 Yes Yes 0 172 1063 C 24 H 2 110 206.8 125.05 62.24 1.88E-02 20 -5.33E-07 7.78E-07 2.88E-06 4/2/97 Yes Yes 0 172 1063 C 24 H 2 115 206.85 174.88 37.39 1.34E-02 20 -1.12E-06 1.03E-07 1.41E-06 4/2/97 Yes Yes 0 172 1063 C 24 H 2 120 206.9 173.18 -10.1 1.00E-02 20 -1.04E-06 1.27E-07 -3.04E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 125 206.95 9.25 -14.02 4.90E-02 20 4.98E-06 8.29E-07 -2.06E-06 4/2/97 Yes Yes 0 172 1063 C 24 H 2 130 207 8.5 6.41 3.34E-02 20 3.48E-06 5.33E-07 6.47E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 135 207.05 170.66 31.22 9.57E-03 20 -8.57E-07 1.44E-07 8.60E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 140 207.1 165.37 25.29 6.90E-03 20 -6.40E-07 1.71E-07 5.11E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 145 207.15 128.43 46.71 3.57E-03 20 -1.62E-07 2.08E-07 4.51E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 150 207.2 162.37 38.48 2.19E-03 20 -1.73E-07 5.63E-08 2.36E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 0 205.7 213.92 13.6 2.31E-03 20 -1.98E-07 -1.36E-07 9.43E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 2 5 205.75 46.67 8.95 1.80E-02 20 1.29E-06 1.40E-06 4.84E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 10 205.8 47.61 27.92 2.22E-02 20 1.41E-06 1.57E-06 1.81E-06 4/2/97 Yes Yes 0 172 1063 C 24 H 2 15 205.85 150.2 30.3 9.91E-03 20 -7.88E-07 4.61E-07 8.67E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 20 205.9 121.36 10.06 1.62E-02 20 -8.82E-07 1.48E-06 4.91E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 25 205.95 137.6 4.78 1.08E-02 20 -8.41E-07 7.85E-07 1.56E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 30 206 186.35 57 4.21E-03 20 -2.42E-07 -2.75E-08 6.12E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 35 206.05 130.38 58.65 7.68E-03 20 -2.75E-07 3.30E-07 1.14E-06 4/2/97 Yes Yes 0 172 1063 C 24 H 2 40 206.1 115.05 33.88 5.96E-03 20 -2.22E-07 4.86E-07 5.76E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 45 206.15 120.53 32.22 5.58E-03 20 -2.54E-07 4.41E-07 5.16E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 50 206.2 132.53 17.81 9.22E-03 20 -6.29E-07 7.01E-07 4.89E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 55 206.25 134.71 20.5 6.75E-03 20 -4.71E-07 4.87E-07 4.09E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 60 206.3 141.29 26.91 4.36E-03 20 -3.22E-07 2.64E-07 3.42E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 65 206.35 140.94 4.22 9.08E-03 20 -7.45E-07 6.19E-07 1.16E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 70 206.4 129.65 6.27 5.93E-03 20 -3.99E-07 4.92E-07 1.12E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 75 206.45 115.52 30.62 3.38E-03 20 -1.33E-07 2.85E-07 2.99E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 80 206.5 120.83 37.65 2.81E-03 20 -1.21E-07 2.07E-07 2.98E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 85 206.55 115.14 21.85 4.97E-03 20 -2.08E-07 4.53E-07 3.20E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 90 206.6 121.69 10.37 5.48E-03 20 -3.01E-07 4.98E-07 1.71E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 95 206.65 127.57 -2.35 7.16E-03 20 -4.63E-07 6.15E-07 -5.09E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 2 100 206.7 132.4 -4.32 5.78E-03 20 -4.13E-07 4.62E-07 -7.56E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 2 105 206.75 142.98 9.85 5.82E-03 20 -4.86E-07 3.74E-07 1.73E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 110 206.8 157.14 15.89 5.59E-03 20 -5.25E-07 2.27E-07 2.65E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 115 206.85 158.1 37.38 4.18E-03 20 -3.27E-07 1.34E-07 4.40E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 120 206.9 148.89 46.33 3.69E-03 20 -2.31E-07 1.43E-07 4.63E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 125 206.95 146.98 23.56 5.52E-03 20 -4.50E-07 2.99E-07 3.82E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 130 207 135.37 10.72 6.80E-03 20 -5.04E-07 5.09E-07 2.19E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 135 207.05 125.39 10.12 5.51E-03 20 -3.33E-07 4.80E-07 1.68E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 140 207.1 118.8 25.68 3.40E-03 20 -1.57E-07 2.91E-07 2.55E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 145 207.15 120.09 19.21 4.00E-03 20 -2.01E-07 3.54E-07 2.28E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 2 150 207.2 128.84 21.41 2.33E-03 20 -1.44E-07 1.83E-07 1.47E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 3 0 207.2 32 26.06 1.52E-03 20 1.22E-07 7.82E-08 1.15E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 3 5 207.25 72.34 37.29 4.07E-03 20 1.04E-07 3.35E-07 4.28E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 3 10 207.3 138.77 33.02 2.58E-03 20 -1.73E-07 1.55E-07 2.44E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 3 15 207.35 147.89 6.73 2.24E-03 20 -2.00E-07 1.28E-07 4.56E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 3 20 207.4 140.55 -1.81 3.15E-03 20 -2.58E-07 2.17E-07 -1.72E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 3 25 207.45 139.38 -0.46 3.59E-03 20 -2.89E-07 2.54E-07 -4.95E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 3 30 207.5 137.06 -2.83 3.48E-03 20 -2.70E-07 2.57E-07 -2.99E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 3 35 207.55 134.18 -7.51 1.84E-03 20 -1.35E-07 1.42E-07 -4.17E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 3 40 207.6 123.07 0.14 1.39E-03 20 -8.04E-08 1.26E-07 5.98E-10 4/2/97 Yes Yes 0 172 1063 C 24 H 3 45 207.65 125.59 12.34 1.83E-03 20 -1.10E-07 1.57E-07 6.77E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 3 50 207.7 127.75 17.09 2.17E-03 20 -1.35E-07 1.78E-07 1.11E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 3 55 207.75 131.29 21.87 2.17E-03 20 -1.41E-07 1.64E-07 1.40E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 3 60 207.8 131.68 25.25 1.88E-03 20 -1.20E-07 1.38E-07 1.39E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 3 65 207.85 146.58 15.85 9.73E-04 20 -8.29E-08 5.59E-08 4.61E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 3 70 207.9 178.76 -13.01 8.45E-04 20 -8.74E-08 1.94E-09 -3.30E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 3 75 207.95 171.92 -30.53 8.97E-04 20 -8.11E-08 1.18E-08 -7.90E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 3 80 208 147.09 -29.2 1.03E-03 20 -8.03E-08 5.32E-08 -8.74E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 3 85 208.05 144.5 -27.43 1.36E-03 20 -1.04E-07 7.58E-08 -1.08E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 3 90 208.1 141.64 -20.66 2.02E-03 20 -1.57E-07 1.27E-07 -1.23E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 3 95 208.15 139.2 -17.51 2.38E-03 20 -1.82E-07 1.61E-07 -1.24E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 3 100 208.2 145.74 -17.56 2.64E-03 20 -2.21E-07 1.54E-07 -1.38E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 3 105 208.25 137.92 -20.48 1.96E-03 20 -1.45E-07 1.33E-07 -1.19E-07 4/2/97 Yes Yes 0 172 1063 C 24 H 3 110 208.3 137.43 -27.12 6.87E-04 20 -4.77E-08 4.48E-08 -5.43E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 3 115 208.35 158.19 -14.88 5.48E-04 20 -5.21E-08 2.13E-08 -2.44E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 3 120 208.4 157.49 -13.13 7.00E-04 20 -6.68E-08 2.83E-08 -2.76E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 3 125 208.45 171.55 -30.08 5.36E-04 20 -4.87E-08 7.40E-09 -4.66E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 3 130 208.5 145.98 -34.08 5.12E-04 20 -3.72E-08 2.57E-08 -4.97E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 3 135 208.55 139.17 -20.78 8.48E-04 20 -6.36E-08 5.62E-08 -5.21E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 3 140 208.6 138.1 -12.57 9.48E-04 20 -7.30E-08 6.70E-08 -3.58E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 3 145 208.65 146.09 -9.82 5.91E-04 20 -5.12E-08 3.52E-08 -1.75E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 3 150 208.7 155.75 -19.8 1.52E-04 20 -1.38E-08 6.37E-09 -8.93E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 4 0 208.7 152.18 -2.89 2.47E-04 20 -2.32E-08 1.25E-08 -2.16E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 4 5 208.75 141.42 -6.67 6.94E-04 20 -5.71E-08 4.66E-08 -1.40E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 4 10 208.8 131.92 -11.65 4.97E-04 20 -3.45E-08 3.93E-08 -1.74E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 4 15 208.85 127.37 -11.58 5.20E-04 20 -3.28E-08 4.39E-08 -1.81E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 4 20 208.9 145.03 -13.59 6.98E-04 20 -5.89E-08 4.22E-08 -2.84E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 4 25 208.95 151.18 -15.12 7.03E-04 20 -6.31E-08 3.55E-08 -3.18E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 4 30 209 155.74 -13.87 7.61E-04 20 -7.15E-08 3.29E-08 -3.16E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 4 35 209.05 161.42 -16.35 8.31E-04 20 -8.01E-08 2.75E-08 -4.06E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 4 40 209.1 161.38 -20.51 6.13E-04 20 -5.77E-08 1.99E-08 -3.72E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 4 45 209.15 153.13 -22.02 5.82E-04 20 -5.11E-08 2.65E-08 -3.79E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 4 50 209.2 141.08 -16.74 5.27E-04 20 -4.17E-08 3.44E-08 -2.63E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 4 55 209.25 148.27 -14.04 4.66E-04 20 -4.08E-08 2.58E-08 -1.96E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 4 60 209.3 135.96 -15.82 5.06E-04 20 -3.71E-08 3.67E-08 -2.39E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 4 65 209.35 141.8 -12 4.93E-04 20 -4.02E-08 3.23E-08 -1.78E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 4 70 209.4 156.8 -20.82 4.24E-04 20 -3.86E-08 1.69E-08 -2.61E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 4 75 209.45 153.73 -15.83 7.82E-04 20 -7.15E-08 3.61E-08 -3.70E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 4 80 209.5 142.58 -15.36 9.17E-04 20 -7.45E-08 5.83E-08 -4.21E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 4 85 209.55 131.45 -16.01 9.54E-04 20 -6.44E-08 7.46E-08 -4.56E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 4 90 209.6 142.64 -21.3 7.62E-04 20 -5.99E-08 4.67E-08 -4.80E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 4 95 209.65 145.87 -26.67 9.19E-04 20 -7.21E-08 5.00E-08 -7.15E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 4 100 209.7 139.59 -39.7 5.24E-04 20 -3.25E-08 2.83E-08 -5.80E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 4 105 209.75 134.36 -41.79 2.06E-04 20 -1.14E-08 1.19E-08 -2.38E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 4 110 209.8 161.11 -24.91 1.13E-04 20 -1.03E-08 3.60E-09 -8.26E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 4 115 209.85 229.05 -23.05 4.07E-05 20 -2.60E-09 -3.07E-09 -2.76E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 4 120 209.9 154.3 26.78 2.74E-05 20 -2.33E-09 1.15E-09 2.14E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 4 125 209.95 111.35 35.02 1.31E-04 20 -4.15E-09 1.09E-08 1.30E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 4 130 210 147.75 31.8 3.42E-04 20 -2.60E-08 1.68E-08 3.12E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 4 135 210.05 173.71 19 6.39E-04 20 -6.37E-08 7.19E-09 3.61E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 4 140 210.1 184.26 12.64 4.89E-04 20 -5.04E-08 -3.84E-09 1.85E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 4 145 210.15 173.81 11.82 1.54E-04 20 -1.59E-08 1.76E-09 5.46E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 4 150 210.2 144.18 19.81 4.45E-05 20 -3.60E-09 2.66E-09 2.61E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 5 0 210.2 93.84 9.26 7.71E-05 20 -5.41E-10 8.23E-09 2.15E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 5 5 210.25 144.19 3.29 1.76E-04 20 -1.51E-08 1.11E-08 1.75E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 5 10 210.3 139.82 8.55 2.24E-04 20 -1.80E-08 1.55E-08 5.78E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 5 15 210.35 142.27 8.72 2.39E-04 20 -1.99E-08 1.57E-08 6.29E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 5 20 210.4 140.13 7.38 2.76E-04 20 -2.23E-08 1.90E-08 6.14E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 5 25 210.45 141.21 1.9 4.05E-04 20 -3.35E-08 2.75E-08 2.32E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 5 30 210.5 131.6 -6.55 4.51E-04 20 -3.15E-08 3.63E-08 -8.92E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 5 35 210.55 117.48 -10.21 2.59E-04 20 -1.25E-08 2.46E-08 -7.97E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 5 40 210.6 118.65 -6 1.95E-04 20 -9.84E-09 1.84E-08 -3.52E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 5 45 210.65 109.35 -1.47 3.01E-04 20 -1.06E-08 3.08E-08 -1.34E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 5 50 210.7 98.29 0.08 3.96E-04 20 -6.05E-09 4.25E-08 9.34E-11 4/2/97 Yes Yes 0 172 1063 C 24 H 5 55 210.75 92.27 4.8 3.88E-04 20 -1.62E-09 4.19E-08 5.63E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 5 60 210.8 125.7 4.41 4.07E-04 20 -2.51E-08 3.57E-08 5.43E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 5 65 210.85 139.44 -5.78 4.76E-04 20 -3.82E-08 3.34E-08 -8.30E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 5 70 210.9 140.29 -16.6 4.52E-04 20 -3.54E-08 3.00E-08 -2.24E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 5 75 210.95 140.87 -18.5 3.89E-04 20 -3.03E-08 2.52E-08 -2.14E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 5 80 211 148.1 -19.31 3.78E-04 20 -3.21E-08 2.04E-08 -2.17E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 5 85 211.05 145.57 -17.15 3.98E-04 20 -3.33E-08 2.33E-08 -2.03E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 5 90 211.1 137.99 -11.73 5.06E-04 20 -3.90E-08 3.59E-08 -1.78E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 5 95 211.15 111.3 -11.05 3.37E-04 20 -1.27E-08 3.34E-08 -1.12E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 5 100 211.2 96.86 -9.8 1.44E-04 20 -1.79E-09 1.52E-08 -4.23E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 5 105 211.25 139.59 -20.1 3.41E-04 20 -2.59E-08 2.25E-08 -2.03E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 5 110 211.3 143.61 -13.94 1.29E-03 20 -1.07E-07 8.04E-08 -5.38E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 5 115 211.35 137.59 -13.1 1.37E-03 20 -1.04E-07 9.76E-08 -5.38E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 5 120 211.4 134.9 -20.38 5.11E-04 20 -3.59E-08 3.68E-08 -3.09E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 5 125 211.45 126.67 -19.11 2.69E-04 20 -1.61E-08 2.21E-08 -1.53E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 5 130 211.5 124.97 -4.78 2.21E-04 20 -1.34E-08 1.96E-08 -3.20E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 5 135 211.55 122.62 15.08 2.10E-04 20 -1.16E-08 1.86E-08 9.49E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 5 140 211.6 123.78 19.11 2.95E-04 20 -1.64E-08 2.51E-08 1.67E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 5 145 211.65 117.15 8.44 5.09E-04 20 -2.44E-08 4.86E-08 1.29E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 5 150 211.7 117.69 13.9 3.00E-04 20 -1.44E-08 2.80E-08 1.25E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 6 0 211.7 100.87 -6.8 2.24E-04 20 -4.44E-09 2.37E-08 -4.59E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 6 5 211.75 86.28 0.12 5.38E-04 20 3.70E-09 5.82E-08 1.93E-10 4/2/97 Yes Yes 0 172 1063 C 24 H 6 10 211.8 71.77 8.15 3.74E-04 20 1.23E-08 3.82E-08 9.20E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 6 15 211.85 111.62 -4.15 4.84E-04 20 -1.89E-08 4.87E-08 -6.08E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 6 20 211.9 120.74 -11.93 9.49E-04 20 -5.03E-08 8.65E-08 -3.40E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 6 25 211.95 121.74 -14.98 6.79E-04 20 -3.66E-08 6.05E-08 -3.04E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 6 30 212 117.69 -25.95 4.68E-04 20 -2.08E-08 4.04E-08 -3.55E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 6 35 212.05 100.42 -46.52 3.66E-04 20 -4.83E-09 2.68E-08 -4.60E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 6 40 212.1 92.73 -32.08 3.28E-04 20 -1.41E-09 3.01E-08 -3.02E-08 4/2/97 Yes Yes 0 172 1063 C 24 H 6 45 212.15 92.13 -8.67 3.15E-04 20 -1.23E-09 3.38E-08 -8.24E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 6 50 212.2 103.24 -1.99 3.74E-04 20 -9.07E-09 3.94E-08 -2.25E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 6 55 212.25 122.5 -6.8 3.91E-04 20 -2.21E-08 3.55E-08 -8.03E-09 4/2/97 Yes Yes 0 172 1063 C 24 H 6 60 212.3 127.64 -7.08 2.24E-04 20 -1.44E-08 1.91E-08 -4.78E-09 4/2/97 Yes Yes 0