Table 8B. Continuous split-core remanent measurements for Hole 1060C 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 1060 C 1 H 1 0 0 335.96 71.78 7.12E-04 20 4.31E-08 -1.97E-08 2.35E-07 03/08/97 Yes Yes 770 172 1060 C 1 H 1 5 0.05 160.96 75.08 2.76E-03 20 -1.42E-07 5.03E-08 9.24E-07 03/08/97 Yes Yes 770 172 1060 C 1 H 1 10 0.1 160.03 60.75 4.85E-03 20 -4.72E-07 1.76E-07 1.47E-06 03/08/97 Yes Yes 770 172 1060 C 1 H 1 15 0.15 164.9 52.87 5.47E-03 20 -6.76E-07 1.87E-07 1.51E-06 03/08/97 Yes Yes 770 172 1060 C 1 H 1 20 0.2 166.36 49.02 5.60E-03 20 -7.57E-07 1.88E-07 1.47E-06 03/08/97 Yes Yes 770 172 1060 C 1 H 1 25 0.25 163.69 50.56 5.68E-03 20 -7.34E-07 2.20E-07 1.52E-06 03/08/97 Yes Yes 770 172 1060 C 1 H 1 30 0.3 158.44 53.95 5.77E-03 20 -6.70E-07 2.71E-07 1.62E-06 03/08/97 Yes Yes 770 172 1060 C 1 H 1 35 0.35 167.44 55.84 5.85E-03 20 -6.80E-07 1.55E-07 1.68E-06 03/08/97 Yes Yes 770 172 1060 C 1 H 1 40 0.4 168.01 55.03 5.32E-03 20 -6.33E-07 1.38E-07 1.51E-06 03/08/97 Yes Yes 770 172 1060 C 1 H 1 45 0.45 173.24 57.39 4.79E-03 20 -5.44E-07 6.59E-08 1.40E-06 03/08/97 Yes Yes 770 172 1060 C 1 H 1 50 0.5 181.37 57.32 5.13E-03 20 -5.87E-07 -1.44E-08 1.50E-06 03/08/97 Yes Yes 770 172 1060 C 1 H 1 55 0.55 173.65 60.11 5.65E-03 20 -5.94E-07 6.76E-08 1.70E-06 03/08/97 Yes Yes 770 172 1060 C 1 H 1 60 0.6 166.06 60.23 7.18E-03 20 -7.34E-07 1.86E-07 2.16E-06 03/08/97 Yes Yes 770 172 1060 C 1 H 1 65 0.65 171.64 54.4 9.68E-03 20 -1.18E-06 1.78E-07 2.73E-06 03/08/97 Yes Yes 770 172 1060 C 1 H 1 70 0.7 169.12 51.9 1.01E-02 20 -1.30E-06 2.56E-07 2.77E-06 03/08/97 Yes Yes 770 172 1060 C 1 H 1 75 0.75 159.28 60.37 8.01E-03 20 -7.86E-07 3.04E-07 2.41E-06 03/08/97 Yes Yes 770 172 1060 C 1 H 1 80 0.8 155.27 59.95 7.66E-03 20 -7.39E-07 3.48E-07 2.30E-06 03/08/97 Yes Yes 770 172 1060 C 1 H 1 85 0.85 158.82 56.73 7.87E-03 20 -8.54E-07 3.38E-07 2.28E-06 03/08/97 Yes Yes 770 172 1060 C 1 H 1 90 0.9 161.22 56.07 9.72E-03 20 -1.09E-06 3.79E-07 2.80E-06 03/08/97 Yes Yes 770 172 1060 C 1 H 1 95 0.95 161.8 54.29 1.14E-02 20 -1.34E-06 4.52E-07 3.22E-06 03/08/97 Yes Yes 770 172 1060 C 1 H 1 100 1 157.84 55.29 1.16E-02 20 -1.29E-06 5.39E-07 3.30E-06 03/08/97 Yes Yes 770 172 1060 C 1 H 1 105 1.05 153.96 57.02 1.06E-02 20 -1.10E-06 5.50E-07 3.09E-06 03/08/97 Yes Yes 770 172 1060 C 1 H 1 110 1.1 156.09 58.47 9.13E-03 20 -9.26E-07 4.20E-07 2.70E-06 03/08/97 Yes Yes 770 172 1060 C 1 H 1 115 1.15 158.35 58.01 8.04E-03 20 -8.40E-07 3.41E-07 2.37E-06 03/08/97 Yes Yes 770 172 1060 C 1 H 1 120 1.2 158.85 57.93 7.48E-03 20 -7.85E-07 3.11E-07 2.20E-06 03/08/97 Yes Yes 770 172 1060 C 1 H 1 125 1.25 152.78 54.73 7.74E-03 20 -8.43E-07 4.43E-07 2.19E-06 03/08/97 Yes Yes 770 172 1060 C 1 H 1 130 1.3 157.72 54.15 7.75E-03 20 -8.91E-07 3.73E-07 2.18E-06 03/08/97 Yes Yes 770 172 1060 C 1 H 1 135 1.35 164.95 58.26 7.15E-03 20 -7.71E-07 2.12E-07 2.11E-06 03/08/97 Yes Yes 770 172 1060 C 1 H 1 140 1.4 163.86 54.5 7.87E-03 20 -9.31E-07 2.76E-07 2.22E-06 03/08/97 Yes Yes 770 172 1060 C 1 H 1 145 1.45 165.22 47.37 8.05E-03 20 -1.12E-06 3.02E-07 2.05E-06 03/08/97 Yes Yes 770 172 1060 C 1 H 1 150 1.5 173.98 43.82 4.06E-03 20 -6.18E-07 6.66E-08 9.74E-07 03/08/97 Yes Yes 770 172 1060 C 1 H 2 0 1.5 167.41 73.63 2.56E-03 20 -1.49E-07 3.41E-08 8.52E-07 03/08/97 Yes Yes 772 172 1060 C 1 H 2 5 1.55 177.2 46.35 6.99E-03 20 -1.02E-06 5.11E-08 1.75E-06 03/08/97 Yes Yes 772 172 1060 C 1 H 2 10 1.6 177.46 47.34 7.79E-03 20 -1.12E-06 5.08E-08 1.99E-06 03/08/97 Yes Yes 772 172 1060 C 1 H 2 15 1.65 171.59 49.27 7.71E-03 20 -1.06E-06 1.60E-07 2.03E-06 03/08/97 Yes Yes 772 172 1060 C 1 H 2 20 1.7 166.07 54.55 7.77E-03 20 -9.28E-07 2.35E-07 2.19E-06 03/08/97 Yes Yes 772 172 1060 C 1 H 2 25 1.75 160.31 47.43 8.94E-03 20 -1.21E-06 4.42E-07 2.28E-06 03/08/97 Yes Yes 772 172 1060 C 1 H 2 30 1.8 150.24 38.04 9.45E-03 20 -1.37E-06 8.01E-07 2.02E-06 03/08/97 Yes Yes 772 172 1060 C 1 H 2 35 1.85 144.04 34.29 9.23E-03 20 -1.31E-06 9.71E-07 1.80E-06 03/08/97 Yes Yes 772 172 1060 C 1 H 2 40 1.9 141.2 32.76 9.75E-03 20 -1.36E-06 1.11E-06 1.83E-06 03/08/97 Yes Yes 772 172 1060 C 1 H 2 45 1.95 143.41 31.58 1.00E-02 20 -1.45E-06 1.10E-06 1.82E-06 03/08/97 Yes Yes 772 172 1060 C 1 H 2 50 2 150.93 34.32 8.82E-03 20 -1.35E-06 7.68E-07 1.72E-06 03/08/97 Yes Yes 772 172 1060 C 1 H 2 55 2.05 151.79 38.66 7.83E-03 20 -1.14E-06 6.27E-07 1.70E-06 03/08/97 Yes Yes 772 172 1060 C 1 H 2 60 2.1 151.25 39.86 7.49E-03 20 -1.07E-06 6.00E-07 1.66E-06 03/08/97 Yes Yes 772 172 1060 C 1 H 2 65 2.15 151.38 39.3 7.39E-03 20 -1.07E-06 5.94E-07 1.62E-06 03/08/97 Yes Yes 772 172 1060 C 1 H 2 70 2.2 151.89 37.23 7.55E-03 20 -1.12E-06 6.14E-07 1.58E-06 03/08/97 Yes Yes 772 172 1060 C 1 H 2 75 2.25 149.31 33.44 7.73E-03 20 -1.18E-06 7.15E-07 1.48E-06 03/08/97 Yes Yes 772 172 1060 C 1 H 2 80 2.3 145.47 33.64 7.36E-03 20 -1.07E-06 7.54E-07 1.41E-06 03/08/97 Yes Yes 772 172 1060 C 1 H 2 85 2.35 141.85 34.58 7.55E-03 20 -1.04E-06 8.33E-07 1.49E-06 03/08/97 Yes Yes 772 172 1060 C 1 H 2 90 2.4 138.94 35.08 7.62E-03 20 -9.97E-07 8.88E-07 1.52E-06 03/08/97 Yes Yes 772 172 1060 C 1 H 2 95 2.45 139.94 35.59 7.44E-03 20 -9.82E-07 8.45E-07 1.50E-06 03/08/97 Yes Yes 772 172 1060 C 1 H 2 100 2.5 133.58 32.09 7.85E-03 20 -9.72E-07 1.04E-06 1.45E-06 03/08/97 Yes Yes 772 172 1060 C 1 H 2 105 2.55 119.45 41.47 7.39E-03 20 -5.77E-07 1.05E-06 1.70E-06 03/08/97 Yes Yes 772 172 1060 C 1 H 2 110 2.6 108.47 63.78 1.02E-02 20 -3.04E-07 9.32E-07 3.19E-06 03/08/97 Yes Yes 772 172 1060 C 1 H 2 115 2.65 140.22 55.17 1.30E-02 20 -1.21E-06 1.03E-06 3.70E-06 03/08/97 Yes Yes 772 172 1060 C 1 H 2 120 2.7 137.31 52.3 1.07E-02 20 -1.02E-06 9.64E-07 2.94E-06 03/08/97 Yes Yes 772 172 1060 C 2 H 1 0 3 278.77 64.38 2.39E-03 20 3.35E-08 -2.22E-07 7.49E-07 03/08/97 Yes Yes 774 172 1060 C 2 H 1 5 3.05 348.17 52.73 6.78E-03 20 8.53E-07 -1.83E-07 1.87E-06 03/08/97 Yes Yes 774 172 1060 C 2 H 1 10 3.1 18.08 42.68 1.13E-02 20 1.67E-06 5.58E-07 2.65E-06 03/08/97 Yes Yes 774 172 1060 C 2 H 1 15 3.15 21.95 44.56 1.22E-02 20 1.71E-06 7.04E-07 2.96E-06 03/08/97 Yes Yes 774 172 1060 C 2 H 1 20 3.2 17.54 49.2 1.20E-02 20 1.58E-06 5.12E-07 3.15E-06 03/08/97 Yes Yes 774 172 1060 C 2 H 1 25 3.25 10.26 53.06 1.20E-02 20 1.51E-06 2.79E-07 3.33E-06 03/08/97 Yes Yes 774 172 1060 C 2 H 1 30 3.3 3.22 57.22 1.24E-02 20 1.42E-06 8.18E-08 3.62E-06 03/08/97 Yes Yes 774 172 1060 C 2 H 1 35 3.35 1.52 57.26 1.25E-02 20 1.43E-06 3.90E-08 3.65E-06 03/08/97 Yes Yes 774 172 1060 C 2 H 1 40 3.4 2.71 57.37 1.25E-02 20 1.43E-06 6.94E-08 3.66E-06 03/08/97 Yes Yes 774 172 1060 C 2 H 1 45 3.45 1.37 59.41 1.21E-02 20 1.30E-06 3.17E-08 3.60E-06 03/08/97 Yes Yes 774 172 1060 C 2 H 1 50 3.5 359.66 59.01 1.18E-02 20 1.29E-06 -7.77E-09 3.51E-06 03/08/97 Yes Yes 774 172 1060 C 2 H 1 55 3.55 354.17 51.45 1.22E-02 20 1.60E-06 -1.68E-07 3.31E-06 03/08/97 Yes Yes 774 172 1060 C 2 H 1 60 3.6 350.81 46.71 1.25E-02 20 1.80E-06 -2.98E-07 3.17E-06 03/08/97 Yes Yes 774 172 1060 C 2 H 1 65 3.65 354.67 45.87 1.23E-02 20 1.82E-06 -1.73E-07 3.07E-06 03/08/97 Yes Yes 774 172 1060 C 2 H 1 70 3.7 355.68 45.54 1.22E-02 20 1.80E-06 -1.39E-07 3.01E-06 03/08/97 Yes Yes 774 172 1060 C 2 H 1 75 3.75 351.54 48.11 1.11E-02 20 1.55E-06 -2.36E-07 2.86E-06 03/08/97 Yes Yes 774 172 1060 C 2 H 1 80 3.8 353.96 43.34 1.10E-02 20 1.69E-06 -1.82E-07 2.61E-06 03/08/97 Yes Yes 774 172 1060 C 2 H 1 85 3.85 352.77 39.98 1.18E-02 20 1.90E-06 -2.46E-07 2.63E-06 03/08/97 Yes Yes 774 172 1060 C 2 H 1 90 3.9 351.07 38.77 1.25E-02 20 2.04E-06 -3.27E-07 2.71E-06 03/08/97 Yes Yes 774 172 1060 C 2 H 1 95 3.95 353.14 37.6 1.29E-02 20 2.15E-06 -2.64E-07 2.72E-06 03/08/97 Yes Yes 774 172 1060 C 2 H 1 100 4 353.47 40.21 1.25E-02 20 2.01E-06 -2.35E-07 2.80E-06 03/08/97 Yes Yes 774 172 1060 C 2 H 1 105 4.05 351.9 41.03 1.29E-02 20 2.04E-06 -2.97E-07 2.93E-06 03/08/97 Yes Yes 774 172 1060 C 2 H 1 110 4.1 351.57 39.5 1.42E-02 20 2.29E-06 -3.47E-07 3.12E-06 03/08/97 Yes Yes 774 172 1060 C 2 H 1 115 4.15 349.06 41 1.31E-02 20 2.06E-06 -4.08E-07 2.99E-06 03/08/97 Yes Yes 774 172 1060 C 2 H 1 120 4.2 344.94 41.51 1.16E-02 20 1.79E-06 -4.91E-07 2.67E-06 03/08/97 Yes Yes 774 172 1060 C 2 H 1 125 4.25 344.7 41.53 9.62E-03 20 1.47E-06 -4.12E-07 2.21E-06 03/08/97 Yes Yes 774 172 1060 C 2 H 1 130 4.3 345.92 38.33 8.85E-03 20 1.43E-06 -3.66E-07 1.90E-06 03/08/97 Yes Yes 774 172 1060 C 2 H 1 135 4.35 346.09 36.13 8.37E-03 20 1.39E-06 -3.52E-07 1.71E-06 03/08/97 Yes Yes 774 172 1060 C 2 H 1 140 4.4 350.53 34.23 7.63E-03 20 1.32E-06 -2.25E-07 1.49E-06 03/08/97 Yes Yes 774 172 1060 C 2 H 1 145 4.45 358.06 30.84 6.44E-03 20 1.17E-06 -4.06E-08 1.15E-06 03/08/97 Yes Yes 774 172 1060 C 2 H 1 150 4.5 11.21 42.03 2.82E-03 20 4.35E-07 8.82E-08 6.54E-07 03/08/97 Yes Yes 774 172 1060 C 2 H 1 0 3 20.99 33.51 2.37E-03 20 3.91E-07 1.53E-07 4.53E-07 03/08/97 Yes Yes 776 172 1060 C 2 H 1 5 3.05 15.41 32.71 6.62E-03 20 1.14E-06 3.21E-07 1.24E-06 03/08/97 Yes Yes 776 172 1060 C 2 H 1 10 3.1 3.74 39.57 8.27E-03 20 1.35E-06 9.00E-08 1.83E-06 03/08/97 Yes Yes 776 172 1060 C 2 H 1 15 3.15 4.42 45.64 8.57E-03 20 1.27E-06 1.00E-07 2.12E-06 03/08/97 Yes Yes 776 172 1060 C 2 H 1 20 3.2 359.39 51.41 8.43E-03 20 1.12E-06 -1.22E-08 2.29E-06 03/08/97 Yes Yes 776 172 1060 C 2 H 1 25 3.25 339.41 53.35 9.29E-03 20 1.10E-06 -4.23E-07 2.59E-06 03/08/97 Yes Yes 776 172 1060 C 2 H 1 30 3.3 337.48 54.04 1.02E-02 20 1.17E-06 -4.95E-07 2.85E-06 03/08/97 Yes Yes 776 172 1060 C 2 H 1 35 3.35 345.21 55.47 9.61E-03 20 1.12E-06 -3.01E-07 2.74E-06 03/08/97 Yes Yes 776 172 1060 C 2 H 1 40 3.4 342.82 52.25 8.34E-03 20 1.03E-06 -3.27E-07 2.29E-06 03/08/97 Yes Yes 776 172 1060 C 2 H 1 45 3.45 341.59 43.72 7.67E-03 20 1.12E-06 -3.80E-07 1.84E-06 03/08/97 Yes Yes 776 172 1060 C 2 H 1 50 3.5 331.58 32.43 8.84E-03 20 1.39E-06 -7.71E-07 1.64E-06 03/08/97 Yes Yes 776 172 1060 C 2 H 1 55 3.55 331.12 33.82 9.77E-03 20 1.51E-06 -8.50E-07 1.88E-06 03/08/97 Yes Yes 776 172 1060 C 2 H 1 60 3.6 332.31 38.86 9.94E-03 20 1.45E-06 -7.80E-07 2.16E-06 03/08/97 Yes Yes 776 172 1060 C 2 H 1 65 3.65 333.52 39.88 1.02E-02 20 1.49E-06 -7.57E-07 2.27E-06 03/08/97 Yes Yes 776 172 1060 C 2 H 1 70 3.7 335.35 39.82 9.85E-03 20 1.46E-06 -6.84E-07 2.19E-06 03/08/97 Yes Yes 776 172 1060 C 2 H 1 75 3.75 334.34 38.98 8.61E-03 20 1.28E-06 -6.28E-07 1.88E-06 03/08/97 Yes Yes 776 172 1060 C 2 H 1 80 3.8 336.78 36.38 8.08E-03 20 1.27E-06 -5.56E-07 1.66E-06 03/08/97 Yes Yes 776 172 1060 C 2 H 1 85 3.85 341.97 36.12 8.19E-03 20 1.33E-06 -4.44E-07 1.67E-06 03/08/97 Yes Yes 776 172 1060 C 2 H 1 90 3.9 341.99 38.47 7.58E-03 20 1.20E-06 -3.98E-07 1.63E-06 03/08/97 Yes Yes 776 172 1060 C 2 H 1 95 3.95 333.59 36.42 7.43E-03 20 1.14E-06 -5.77E-07 1.53E-06 03/08/97 Yes Yes 776 172 1060 C 2 H 1 100 4 332.53 37.6 6.41E-03 20 9.55E-07 -5.08E-07 1.36E-06 03/08/97 Yes Yes 776 172 1060 C 2 H 1 105 4.05 331.57 35.12 5.67E-03 20 8.65E-07 -4.79E-07 1.13E-06 03/08/97 Yes Yes 776 172 1060 C 2 H 1 110 4.1 334.73 26.74 6.38E-03 20 1.09E-06 -5.28E-07 9.95E-07 03/08/97 Yes Yes 776 172 1060 C 2 H 1 115 4.15 334.21 21.1 7.62E-03 20 1.36E-06 -6.71E-07 9.52E-07 03/08/97 Yes Yes 776 172 1060 C 2 H 1 120 4.2 338.76 19.3 7.74E-03 20 1.44E-06 -5.74E-07 8.86E-07 03/08/97 Yes Yes 776 172 1060 C 2 H 1 125 4.25 344.67 19.24 6.91E-03 20 1.33E-06 -3.74E-07 7.90E-07 03/08/97 Yes Yes 776 172 1060 C 2 H 1 130 4.3 351.87 27.12 5.46E-03 20 1.02E-06 -1.49E-07 8.63E-07 03/08/97 Yes Yes 776 172 1060 C 2 H 1 135 4.35 353.79 31.17 5.14E-03 20 9.28E-07 -1.03E-07 9.23E-07 03/08/97 Yes Yes 776 172 1060 C 2 H 1 140 4.4 351.21 31.14 6.81E-03 20 1.22E-06 -1.93E-07 1.22E-06 03/08/97 Yes Yes 776 172 1060 C 2 H 1 145 4.45 340.49 35.11 7.92E-03 20 1.30E-06 -4.70E-07 1.58E-06 03/08/97 Yes Yes 776 172 1060 C 2 H 3 0 6 327.9 34.57 2.36E-03 20 3.49E-07 -2.24E-07 4.65E-07 03/08/97 Yes Yes 778 172 1060 C 2 H 3 5 6.05 314.49 26.18 7.34E-03 20 9.79E-07 -1.02E-06 1.12E-06 03/08/97 Yes Yes 778 172 1060 C 2 H 3 10 6.1 311.48 28.9 8.53E-03 20 1.05E-06 -1.21E-06 1.43E-06 03/08/97 Yes Yes 778 172 1060 C 2 H 3 15 6.15 309.42 31.87 8.87E-03 20 1.01E-06 -1.26E-06 1.62E-06 03/08/97 Yes Yes 778 172 1060 C 2 H 3 20 6.2 307.46 33.34 8.50E-03 20 9.16E-07 -1.22E-06 1.62E-06 03/08/97 Yes Yes 778 172 1060 C 2 H 3 25 6.25 306.11 35.29 8.08E-03 20 8.25E-07 -1.16E-06 1.62E-06 03/08/97 Yes Yes 778 172 1060 C 2 H 3 30 6.3 302.68 34.18 8.62E-03 20 8.16E-07 -1.30E-06 1.68E-06 03/08/97 Yes Yes 778 172 1060 C 2 H 3 35 6.35 302.05 34.55 8.75E-03 20 8.11E-07 -1.33E-06 1.72E-06 03/08/97 Yes Yes 778 172 1060 C 2 H 3 40 6.4 303.37 35.95 9.03E-03 20 8.53E-07 -1.32E-06 1.84E-06 03/08/97 Yes Yes 778 172 1060 C 2 H 3 45 6.45 303.9 34.32 1.06E-02 20 1.03E-06 -1.57E-06 2.07E-06 03/08/97 Yes Yes 778 172 1060 C 2 H 3 50 6.5 305.27 34.62 1.11E-02 20 1.12E-06 -1.62E-06 2.19E-06 03/08/97 Yes Yes 778 172 1060 C 2 H 3 55 6.55 307.05 36.58 1.11E-02 20 1.14E-06 -1.55E-06 2.30E-06 03/08/97 Yes Yes 778 172 1060 C 2 H 3 60 6.6 310.49 35.59 1.23E-02 20 1.37E-06 -1.65E-06 2.48E-06 03/08/97 Yes Yes 778 172 1060 C 2 H 3 65 6.65 309.97 36.22 1.33E-02 20 1.46E-06 -1.79E-06 2.73E-06 03/08/97 Yes Yes 778 172 1060 C 2 H 3 70 6.7 306.29 40.07 1.08E-02 20 1.04E-06 -1.45E-06 2.41E-06 03/08/97 Yes Yes 778 172 1060 C 2 H 3 75 6.75 311.98 39.43 8.65E-03 20 9.48E-07 -1.08E-06 1.90E-06 03/08/97 Yes Yes 778 172 1060 C 2 H 3 80 6.8 314.21 35.52 7.09E-03 20 8.54E-07 -8.98E-07 1.43E-06 03/08/97 Yes Yes 778 172 1060 C 2 H 3 85 6.85 320.45 26.92 6.15E-03 20 8.98E-07 -7.58E-07 9.66E-07 03/08/97 Yes Yes 778 172 1060 C 2 H 3 90 6.9 324.63 21.84 6.28E-03 20 1.01E-06 -7.32E-07 8.11E-07 03/08/97 Yes Yes 778 172 1060 C 2 H 3 95 6.95 319.06 19.64 6.31E-03 20 9.52E-07 -8.44E-07 7.35E-07 03/08/97 Yes Yes 778 172 1060 C 2 H 3 100 7 317.17 20.98 5.84E-03 20 8.49E-07 -8.05E-07 7.25E-07 03/08/97 Yes Yes 778 172 1060 C 2 H 3 105 7.05 314.64 22.65 5.80E-03 20 7.97E-07 -8.26E-07 7.74E-07 03/08/97 Yes Yes 778 172 1060 C 2 H 3 110 7.1 312.57 28.12 5.28E-03 20 6.68E-07 -7.43E-07 8.62E-07 03/08/97 Yes Yes 778 172 1060 C 2 H 3 115 7.15 307.68 36.15 4.83E-03 20 5.06E-07 -6.70E-07 9.88E-07 03/08/97 Yes Yes 778 172 1060 C 2 H 3 120 7.2 307.57 37.25 4.81E-03 20 4.96E-07 -6.59E-07 1.01E-06 03/08/97 Yes Yes 778 172 1060 C 2 H 3 125 7.25 313.41 39.31 5.72E-03 20 6.45E-07 -6.97E-07 1.26E-06 03/08/97 Yes Yes 778 172 1060 C 2 H 3 130 7.3 320.55 39.36 6.92E-03 20 8.76E-07 -7.37E-07 1.52E-06 03/08/97 Yes Yes 778 172 1060 C 2 H 3 135 7.35 323.09 47.07 8.06E-03 20 9.32E-07 -7.15E-07 2.05E-06 03/08/97 Yes Yes 778 172 1060 C 2 H 3 140 7.4 316.18 52.56 8.35E-03 20 7.77E-07 -7.62E-07 2.30E-06 03/08/97 Yes Yes 778 172 1060 C 2 H 3 145 7.45 305.67 53.3 7.10E-03 20 5.25E-07 -7.47E-07 1.97E-06 03/08/97 Yes Yes 778 172 1060 C 2 H 4 0 7.5 310.16 34.9 2.88E-03 20 3.23E-07 -3.92E-07 5.71E-07 03/08/97 Yes Yes 780 172 1060 C 2 H 4 5 7.55 307.9 33.77 7.27E-03 20 7.88E-07 -1.03E-06 1.40E-06 03/08/97 Yes Yes 780 172 1060 C 2 H 4 10 7.6 310.99 41.91 7.17E-03 20 7.43E-07 -8.74E-07 1.66E-06 03/08/97 Yes Yes 780 172 1060 C 2 H 4 15 7.65 313.98 42.62 7.04E-03 20 7.63E-07 -8.08E-07 1.65E-06 03/08/97 Yes Yes 780 172 1060 C 2 H 4 20 7.7 314.73 40.25 8.85E-03 20 1.01E-06 -1.04E-06 1.98E-06 03/08/97 Yes Yes 780 172 1060 C 2 H 4 25 7.75 313.07 42.94 8.46E-03 20 8.97E-07 -9.81E-07 2.00E-06 03/08/97 Yes Yes 780 172 1060 C 2 H 4 30 7.8 310.3 41.96 7.70E-03 20 7.86E-07 -9.48E-07 1.79E-06 03/08/97 Yes Yes 780 172 1060 C 2 H 4 35 7.85 306.57 40.94 7.45E-03 20 7.12E-07 -9.81E-07 1.69E-06 03/08/97 Yes Yes 780 172 1060 C 2 H 4 40 7.9 303.92 39.5 8.43E-03 20 7.70E-07 -1.17E-06 1.86E-06 03/08/97 Yes Yes 780 172 1060 C 2 H 4 45 7.95 301.36 40.92 9.93E-03 20 8.29E-07 -1.39E-06 2.26E-06 03/08/97 Yes Yes 780 172 1060 C 2 H 4 50 8 302.03 45.53 1.02E-02 20 8.04E-07 -1.31E-06 2.52E-06 03/08/97 Yes Yes 780 172 1060 C 2 H 4 55 8.05 306.5 55.51 9.73E-03 20 6.95E-07 -9.61E-07 2.78E-06 03/08/97 Yes Yes 780 172 1060 C 2 H 4 60 8.1 325.25 62.66 9.80E-03 20 7.85E-07 -5.57E-07 3.02E-06 03/08/97 Yes Yes 780 172 1060 C 2 H 4 65 8.15 318.97 59.88 1.00E-02 20 8.06E-07 -7.17E-07 3.01E-06 03/08/97 Yes Yes 780 172 1060 C 2 H 4 70 8.2 306.24 49.28 9.85E-03 20 8.06E-07 -1.12E-06 2.59E-06 03/08/97 Yes Yes 780 172 1060 C 2 H 4 75 8.25 301.99 42.67 8.47E-03 20 6.99E-07 -1.15E-06 1.99E-06 03/08/97 Yes Yes 780 172 1060 C 2 H 4 80 8.3 294.88 36.7 6.72E-03 20 4.81E-07 -1.06E-06 1.39E-06 03/08/97 Yes Yes 780 172 1060 C 2 H 4 85 8.35 300.31 38.21 5.51E-03 20 4.64E-07 -8.11E-07 1.18E-06 03/08/97 Yes Yes 780 172 1060 C 2 H 4 90 8.4 300.11 48.43 4.55E-03 20 3.21E-07 -5.66E-07 1.18E-06 03/08/97 Yes Yes 780 172 1060 C 2 H 4 95 8.45 285.51 39.68 4.75E-03 20 2.07E-07 -7.65E-07 1.05E-06 03/08/97 Yes Yes 780 172 1060 C 2 H 4 100 8.5 278.68 25.47 5.86E-03 20 1.69E-07 -1.13E-06 8.74E-07 03/08/97 Yes Yes 780 172 1060 C 2 H 4 105 8.55 273.24 20.62 6.79E-03 20 7.60E-08 -1.38E-06 8.29E-07 03/08/97 Yes Yes 780 172 1060 C 2 H 4 110 8.6 273.23 18.18 6.77E-03 20 7.69E-08 -1.39E-06 7.33E-07 03/08/97 Yes Yes 780 172 1060 C 2 H 4 115 8.65 278.32 14.03 7.99E-03 20 2.38E-07 -1.66E-06 6.71E-07 03/08/97 Yes Yes 780 172 1060 C 2 H 4 120 8.7 277.03 14.8 9.29E-03 20 2.33E-07 -1.93E-06 8.23E-07 03/08/97 Yes Yes 780 172 1060 C 2 H 4 125 8.75 271.9 14.56 8.43E-03 20 5.74E-08 -1.77E-06 7.35E-07 03/08/97 Yes Yes 780 172 1060 C 2 H 4 130 8.8 265.84 12.11 7.42E-03 20 -1.11E-07 -1.57E-06 5.40E-07 03/08/97 Yes Yes 780 172 1060 C 2 H 4 135 8.85 257.56 7.2 6.34E-03 20 -2.87E-07 -1.33E-06 2.75E-07 03/08/97 Yes Yes 780 172 1060 C 2 H 4 140 8.9 259.6 3.34 5.26E-03 20 -2.01E-07 -1.12E-06 1.06E-07 03/08/97 Yes Yes 780 172 1060 C 2 H 4 145 8.95 261.85 4.45 3.00E-03 20 -8.98E-08 -6.42E-07 8.06E-08 03/08/97 Yes Yes 780 172 1060 C 2 H 4 150 9 247.75 22.74 8.19E-04 20 -6.07E-08 -1.52E-07 1.10E-07 03/08/97 Yes Yes 780 172 1060 C 2 H 5 0 9 259.52 31 8.24E-04 20 -2.72E-08 -1.51E-07 1.47E-07 03/08/97 Yes Yes 782 172 1060 C 2 H 5 5 9.05 259.71 18.64 2.30E-03 20 -8.25E-08 -4.64E-07 2.55E-07 03/08/97 Yes Yes 782 172 1060 C 2 H 5 10 9.1 284.87 21.01 2.51E-03 20 1.28E-07 -4.92E-07 3.13E-07 03/08/97 Yes Yes 782 172 1060 C 2 H 5 15 9.15 292.32 29.29 2.83E-03 20 1.99E-07 -4.96E-07 4.80E-07 03/08/97 Yes Yes 782 172 1060 C 2 H 5 20 9.2 280.23 32.13 2.86E-03 20 9.11E-08 -5.16E-07 5.27E-07 03/08/97 Yes Yes 782 172 1060 C 2 H 5 25 9.25 287.62 30.67 3.51E-03 20 1.94E-07 -6.24E-07 6.21E-07 03/08/97 Yes Yes 782 172 1060 C 2 H 5 30 9.3 292.31 33.49 4.12E-03 20 2.77E-07 -6.89E-07 7.88E-07 03/08/97 Yes Yes 782 172 1060 C 2 H 5 35 9.35 296.21 37.58 3.83E-03 20 2.84E-07 -5.90E-07 8.09E-07 03/08/97 Yes Yes 782 172 1060 C 2 H 5 40 9.4 301.68 32.72 4.80E-03 20 4.50E-07 -7.45E-07 9.00E-07 03/08/97 Yes Yes 782 172 1060 C 2 H 5 45 9.45 304.95 33.57 5.01E-03 20 5.08E-07 -7.43E-07 9.61E-07 03/08/97 Yes Yes 782 172 1060 C 2 H 5 50 9.5 307.97 35.27 5.43E-03 20 5.79E-07 -7.58E-07 1.09E-06 03/08/97 Yes Yes 782 172 1060 C 2 H 5 55 9.55 302.78 36.42 5.65E-03 20 5.22E-07 -8.29E-07 1.16E-06 03/08/97 Yes Yes 782 172 1060 C 2 H 5 60 9.6 298.3 32.71 5.35E-03 20 4.53E-07 -8.61E-07 1.00E-06 03/08/97 Yes Yes 782 172 1060 C 2 H 5 65 9.65 298.4 28.05 6.09E-03 20 5.43E-07 -1.03E-06 9.94E-07 03/08/97 Yes Yes 782 172 1060 C 2 H 5 70 9.7 297.17 27.11 6.22E-03 20 5.36E-07 -1.07E-06 9.82E-07 03/08/97 Yes Yes 782 172 1060 C 2 H 5 75 9.75 300.87 29.19 5.18E-03 20 4.93E-07 -8.43E-07 8.77E-07 03/08/97 Yes Yes 782 172 1060 C 2 H 5 80 9.8 310.79 30.28 4.60E-03 20 5.50E-07 -6.52E-07 8.04E-07 03/08/97 Yes Yes 782 172 1060 C 2 H 5 85 9.85 310.63 26.22 5.53E-03 20 6.85E-07 -8.16E-07 8.47E-07 03/08/97 Yes Yes 782 172 1060 C 2 H 5 90 9.9 311.57 31.15 5.56E-03 20 6.70E-07 -7.72E-07 9.97E-07 03/08/97 Yes Yes 782 172 1060 C 2 H 5 95 9.95 315.69 41.51 4.10E-03 20 4.66E-07 -4.66E-07 9.43E-07 03/08/97 Yes Yes 782 172 1060 C 2 H 5 100 10 316.57 37.23 4.29E-03 20 5.26E-07 -5.10E-07 9.00E-07 03/08/97 Yes Yes 782 172 1060 C 2 H 5 105 10.05 312.62 35.55 4.49E-03 20 5.24E-07 -5.82E-07 9.04E-07 03/08/97 Yes Yes 782 172 1060 C 2 H 5 110 10.1 310.2 34.63 4.29E-03 20 4.84E-07 -5.85E-07 8.45E-07 03/08/97 Yes Yes 782 172 1060 C 2 H 5 115 10.15 316.21 32.54 4.96E-03 20 6.40E-07 -6.28E-07 9.25E-07 03/08/97 Yes Yes 782 172 1060 C 2 H 5 120 10.2 331.09 29.84 6.94E-03 20 1.12E-06 -6.31E-07 1.20E-06 03/08/97 Yes Yes 782 172 1060 C 2 H 5 125 10.25 334.81 34.66 7.27E-03 20 1.15E-06 -5.52E-07 1.43E-06 03/08/97 Yes Yes 782 172 1060 C 2 H 5 130 10.3 331.29 42.06 6.70E-03 20 9.26E-07 -5.19E-07 1.56E-06 03/08/97 Yes Yes 782 172 1060 C 2 H 5 135 10.35 317.14 48.29 7.59E-03 20 7.85E-07 -7.45E-07 1.96E-06 03/08/97 Yes Yes 782 172 1060 C 2 H 5 140 10.4 289.5 53.34 8.39E-03 20 3.55E-07 -1.02E-06 2.33E-06 03/08/97 Yes Yes 782 172 1060 C 2 H 5 145 10.45 272.5 48.46 7.87E-03 20 4.82E-08 -1.13E-06 2.04E-06 03/08/97 Yes Yes 782 172 1060 C 2 H 5 150 10.5 255.11 52.29 4.02E-03 20 -1.34E-07 -5.16E-07 1.10E-06 03/08/97 Yes Yes 782 172 1060 C 2 H 6 0 10.5 272.95 42.41 3.48E-03 20 2.80E-08 -5.56E-07 8.13E-07 03/08/97 Yes Yes 784 172 1060 C 2 H 6 5 10.55 256.28 28.12 9.39E-03 20 -4.17E-07 -1.75E-06 1.53E-06 03/08/97 Yes Yes 784 172 1060 C 2 H 6 10 10.6 255.66 25.55 1.03E-02 20 -4.87E-07 -1.95E-06 1.54E-06 03/08/97 Yes Yes 784 172 1060 C 2 H 6 15 10.65 254.95 31.64 9.37E-03 20 -4.39E-07 -1.67E-06 1.70E-06 03/08/97 Yes Yes 784 172 1060 C 2 H 6 20 10.7 256.22 42.08 8.11E-03 20 -3.04E-07 -1.27E-06 1.88E-06 03/08/97 Yes Yes 784 172 1060 C 2 H 6 25 10.75 244.03 46.54 6.69E-03 20 -4.27E-07 -8.97E-07 1.68E-06 03/08/97 Yes Yes 784 172 1060 C 2 H 6 30 10.8 268.73 37.94 5.36E-03 20 -1.99E-08 -9.16E-07 1.14E-06 03/08/97 Yes Yes 784 172 1060 C 2 H 6 35 10.85 290.81 34.83 5.76E-03 20 3.56E-07 -9.59E-07 1.14E-06 03/08/97 Yes Yes 784 172 1060 C 2 H 6 40 10.9 286.98 28.38 7.84E-03 20 4.27E-07 -1.43E-06 1.29E-06 03/08/97 Yes Yes 784 172 1060 C 2 H 6 45 10.95 271.36 23.31 9.83E-03 20 4.54E-08 -1.96E-06 1.35E-06 03/08/97 Yes Yes 784 172 1060 C 2 H 6 50 11 262.39 19.88 1.06E-02 20 -2.79E-07 -2.14E-06 1.25E-06 03/08/97 Yes Yes 784 172 1060 C 2 H 6 55 11.05 260.72 21.16 1.07E-02 20 -3.40E-07 -2.13E-06 1.33E-06 03/08/97 Yes Yes 784 172 1060 C 2 H 6 60 11.1 257.31 28.5 7.90E-03 20 -3.23E-07 -1.47E-06 1.31E-06 03/08/97 Yes Yes 784 172 1060 C 2 H 7 0 11.14 308.88 23.87 1.75E-03 20 2.13E-07 -2.70E-07 2.45E-07 03/08/97 Yes Yes 786 172 1060 C 2 H 7 5 11.19 295.92 12.95 4.96E-03 20 4.48E-07 -9.43E-07 3.85E-07 03/08/97 Yes Yes 786 172 1060 C 2 H 7 10 11.24 290.15 11.82 5.13E-03 20 3.67E-07 -1.02E-06 3.64E-07 03/08/97 Yes Yes 786 172 1060 C 2 H 7 15 11.29 262.8 12.21 6.26E-03 20 -1.63E-07 -1.32E-06 4.59E-07 03/08/97 Yes Yes 786 172 1060 C 2 H 7 20 11.34 317.5 16.43 3.89E-03 20 5.83E-07 -5.46E-07 3.81E-07 03/08/97 Yes Yes 786 172 1060 C 2 H 7 25 11.39 11.21 7.97 4.45E-03 20 9.18E-07 1.86E-07 2.14E-07 03/08/97 Yes Yes 786 172 1060 C 2 H 7 30 11.44 355.88 6.78 1.37E-03 20 2.88E-07 -2.12E-08 5.61E-08 03/08/97 Yes Yes 786 172 1060 C 2 H 7 35 11.49 354.19 10.92 2.51E-03 20 5.20E-07 -5.41E-08 1.65E-07 03/08/97 Yes Yes 786 172 1060 C 2 H 7 40 11.54 6.83 12.65 2.61E-03 20 5.36E-07 6.57E-08 1.98E-07 03/08/97 Yes Yes 786 172 1060 C 2 H 7 45 11.59 352.58 -37.7 8.55E-04 20 1.42E-07 -1.90E-08 -1.81E-07 03/08/97 Yes Yes 786 172 1060 C 2 H 7 50 11.64 352.72 -8.98 1.68E-03 20 3.49E-07 -4.56E-08 -9.10E-08 03/08/97 Yes Yes 786 172 1060 C 2 H 7 55 11.69 3.79 36.72 3.93E-03 20 6.67E-07 4.51E-08 8.14E-07 03/08/97 Yes Yes 786 172 1060 C 2 H 7 60 11.74 110.15 67.28 7.96E-03 20 -2.25E-07 6.26E-07 2.55E-06 03/08/97 Yes Yes 786 172 1060 C 2 H 7 65 11.79 137.88 34.72 1.10E-02 20 -1.42E-06 1.32E-06 2.18E-06 03/08/97 Yes Yes 786 172 1060 C 2 H 7 70 11.84 146.69 31.1 9.22E-03 20 -1.40E-06 9.41E-07 1.65E-06 03/08/97 Yes Yes 786 172 1060 C 2 H 7 75 11.89 150.98 39.17 5.79E-03 20 -8.32E-07 4.72E-07 1.27E-06 03/08/97 Yes Yes 786 172 1060 C 3 H 1 0 12.5 279.48 68.54 5.20E-03 20 6.64E-08 -4.07E-07 1.68E-06 03/08/97 Yes Yes 788 172 1060 C 3 H 1 5 12.55 212.74 63.52 9.47E-03 20 -7.54E-07 -4.96E-07 2.94E-06 03/08/97 Yes Yes 788 172 1060 C 3 H 1 10 12.6 173.07 85.3 6.94E-03 20 -1.20E-07 1.49E-08 2.40E-06 03/08/97 Yes Yes 788 172 1060 C 3 H 1 15 12.65 1.19 57.84 1.19E-02 20 1.35E-06 2.87E-08 3.50E-06 03/08/97 Yes Yes 788 172 1060 C 3 H 1 20 12.7 2.87 83.03 8.47E-03 20 2.18E-07 1.12E-08 2.92E-06 03/08/97 Yes Yes 788 172 1060 C 3 H 1 25 12.75 162.93 58.11 3.92E-03 20 -4.20E-07 1.32E-07 1.15E-06 03/08/97 Yes Yes 788 172 1060 C 3 H 1 30 12.8 159.24 53.63 2.33E-03 20 -2.74E-07 1.06E-07 6.49E-07 03/08/97 Yes Yes 788 172 1060 C 3 H 1 35 12.85 162.91 59.61 1.57E-03 20 -1.61E-07 5.06E-08 4.69E-07 03/08/97 Yes Yes 788 172 1060 C 3 H 1 40 12.9 152.24 64.02 1.06E-03 20 -8.73E-08 4.70E-08 3.31E-07 03/08/97 Yes Yes 788 172 1060 C 3 H 1 45 12.95 169.9 52.05 1.27E-03 20 -1.63E-07 2.97E-08 3.47E-07 03/08/97 Yes Yes 788 172 1060 C 3 H 1 50 13 163.98 49.76 2.04E-03 20 -2.69E-07 7.90E-08 5.40E-07 03/08/97 Yes Yes 788 172 1060 C 3 H 1 55 13.05 150.29 54.04 2.75E-03 20 -2.98E-07 1.74E-07 7.72E-07 03/08/97 Yes Yes 788 172 1060 C 3 H 1 60 13.1 146.17 47.73 3.80E-03 20 -4.50E-07 3.08E-07 9.74E-07 03/08/97 Yes Yes 788 172 1060 C 3 H 1 65 13.15 149.68 44.61 4.26E-03 20 -5.55E-07 3.32E-07 1.04E-06 03/08/97 Yes Yes 788 172 1060 C 3 H 1 70 13.2 156.67 45.88 4.39E-03 20 -5.95E-07 2.62E-07 1.09E-06 03/08/97 Yes Yes 788 172 1060 C 3 H 1 75 13.25 164.35 43.94 4.97E-03 20 -7.30E-07 2.09E-07 1.19E-06 03/08/97 Yes Yes 788 172 1060 C 3 H 1 80 13.3 170.16 42.75 5.46E-03 20 -8.38E-07 1.49E-07 1.29E-06 03/08/97 Yes Yes 788 172 1060 C 3 H 1 85 13.35 172.93 46.91 4.92E-03 20 -7.08E-07 8.98E-08 1.25E-06 03/08/97 Yes Yes 788 172 1060 C 3 H 1 90 13.4 169.41 54.16 4.63E-03 20 -5.65E-07 1.08E-07 1.30E-06 03/08/97 Yes Yes 788 172 1060 C 3 H 1 95 13.45 160.13 59.44 4.46E-03 20 -4.53E-07 1.67E-07 1.33E-06 03/08/97 Yes Yes 788 172 1060 C 3 H 1 100 13.5 167.23 62.79 4.04E-03 20 -3.82E-07 8.86E-08 1.25E-06 03/08/97 Yes Yes 788 172 1060 C 3 H 1 105 13.55 184.3 60.02 3.60E-03 20 -3.80E-07 -2.93E-08 1.08E-06 03/08/97 Yes Yes 788 172 1060 C 3 H 1 110 13.6 190.47 54.9 3.11E-03 20 -3.73E-07 -7.05E-08 8.82E-07 03/08/97 Yes Yes 788 172 1060 C 3 H 1 115 13.65 168.78 64.49 2.48E-03 20 -2.22E-07 4.51E-08 7.76E-07 03/08/97 Yes Yes 788 172 1060 C 3 H 1 120 13.7 142.54 63.65 2.78E-03 20 -2.07E-07 1.63E-07 8.62E-07 03/08/97 Yes Yes 788 172 1060 C 3 H 1 125 13.75 154.41 52.87 3.32E-03 20 -3.84E-07 1.88E-07 9.19E-07 03/08/97 Yes Yes 788 172 1060 C 3 H 1 130 13.8 161.27 48.4 3.34E-03 20 -4.45E-07 1.54E-07 8.66E-07 03/08/97 Yes Yes 788 172 1060 C 3 H 1 135 13.85 176.77 53.27 2.86E-03 20 -3.62E-07 2.09E-08 7.94E-07 03/08/97 Yes Yes 788 172 1060 C 3 H 1 140 13.9 175.49 60.29 2.14E-03 20 -2.24E-07 1.81E-08 6.43E-07 03/08/97 Yes Yes 788 172 1060 C 3 H 1 145 13.95 172.71 57.25 1.22E-03 20 -1.39E-07 1.82E-08 3.56E-07 03/08/97 Yes Yes 788 172 1060 C 3 H 1 150 14 166.12 63.46 3.88E-04 20 -3.57E-08 9.03E-09 1.20E-07 03/08/97 Yes Yes 788 172 1060 C 3 H 2 0 14 142.25 74.9 2.72E-04 20 -1.19E-08 9.41E-09 9.11E-08 03/08/97 Yes Yes 790 172 1060 C 3 H 2 5 14.05 161.82 75.16 3.68E-04 20 -1.90E-08 6.38E-09 1.23E-07 03/08/97 Yes Yes 790 172 1060 C 3 H 2 10 14.1 38.64 67.96 6.16E-04 20 3.83E-08 3.13E-08 1.98E-07 03/08/97 Yes Yes 790 172 1060 C 3 H 2 15 14.15 141.62 59.87 1.63E-03 20 -1.36E-07 1.10E-07 4.89E-07 03/08/97 Yes Yes 790 172 1060 C 3 H 2 20 14.2 164.18 44.23 3.29E-03 20 -4.81E-07 1.39E-07 7.96E-07 03/08/97 Yes Yes 790 172 1060 C 3 H 2 25 14.25 171.56 34.13 5.39E-03 20 -9.35E-07 1.42E-07 1.05E-06 03/08/97 Yes Yes 790 172 1060 C 3 H 2 30 14.3 172.28 32.12 6.33E-03 20 -1.13E-06 1.56E-07 1.17E-06 03/08/97 Yes Yes 790 172 1060 C 3 H 2 35 14.35 174.1 34.8 6.60E-03 20 -1.14E-06 1.21E-07 1.31E-06 03/08/97 Yes Yes 790 172 1060 C 3 H 2 40 14.4 173.32 37.83 7.07E-03 20 -1.18E-06 1.41E-07 1.50E-06 03/08/97 Yes Yes 790 172 1060 C 3 H 2 45 14.45 170.82 42.14 6.96E-03 20 -1.08E-06 1.78E-07 1.62E-06 03/08/97 Yes Yes 790 172 1060 C 3 H 2 50 14.5 170.17 41.49 6.82E-03 20 -1.07E-06 1.89E-07 1.57E-06 03/08/97 Yes Yes 790 172 1060 C 3 H 2 55 14.55 169.38 41.78 6.46E-03 20 -1.00E-06 1.92E-07 1.49E-06 03/08/97 Yes Yes 790 172 1060 C 3 H 2 60 14.6 164.63 42.19 6.11E-03 20 -9.27E-07 2.60E-07 1.42E-06 03/08/97 Yes Yes 790 172 1060 C 3 H 2 65 14.65 163.81 42.6 5.61E-03 20 -8.41E-07 2.50E-07 1.32E-06 03/08/97 Yes Yes 790 172 1060 C 3 H 2 70 14.7 166.83 40.19 5.47E-03 20 -8.63E-07 2.06E-07 1.22E-06 03/08/97 Yes Yes 790 172 1060 C 3 H 2 75 14.75 169 41.26 6.21E-03 20 -9.73E-07 1.93E-07 1.42E-06 03/08/97 Yes Yes 790 172 1060 C 3 H 2 80 14.8 172.32 47.73 7.02E-03 20 -9.92E-07 1.37E-07 1.80E-06 03/08/97 Yes Yes 790 172 1060 C 3 H 2 85 14.85 177.39 56.04 7.34E-03 20 -8.69E-07 4.05E-08 2.11E-06 03/08/97 Yes Yes 790 172 1060 C 3 H 2 90 14.9 183.32 60.8 7.94E-03 20 -8.21E-07 -4.87E-08 2.40E-06 03/08/97 Yes Yes 790 172 1060 C 3 H 2 95 14.95 182.53 57.3 9.38E-03 20 -1.07E-06 -4.85E-08 2.74E-06 03/08/97 Yes Yes 790 172 1060 C 3 H 2 100 15 179.53 57.51 9.65E-03 20 -1.10E-06 9.26E-09 2.82E-06 03/08/97 Yes Yes 790 172 1060 C 3 H 2 105 15.05 176.42 55.63 1.01E-02 20 -1.21E-06 7.71E-08 2.89E-06 03/08/97 Yes Yes 790 172 1060 C 3 H 2 110 15.1 174.65 49.33 1.07E-02 20 -1.47E-06 1.41E-07 2.81E-06 03/08/97 Yes Yes 790 172 1060 C 3 H 2 115 15.15 173.87 44.02 1.02E-02 20 -1.55E-06 1.70E-07 2.46E-06 03/08/97 Yes Yes 790 172 1060 C 3 H 2 120 15.2 170.96 42.74 8.68E-03 20 -1.34E-06 2.17E-07 2.04E-06 03/08/97 Yes Yes 790 172 1060 C 3 H 2 125 15.25 166.26 38.56 7.87E-03 20 -1.27E-06 3.17E-07 1.70E-06 03/08/97 Yes Yes 790 172 1060 C 3 H 2 130 15.3 165.63 35.46 6.74E-03 20 -1.13E-06 2.95E-07 1.35E-06 03/08/97 Yes Yes 790 172 1060 C 3 H 2 135 15.35 170.87 36.62 5.32E-03 20 -8.95E-07 1.47E-07 1.10E-06 03/08/97 Yes Yes 790 172 1060 C 3 H 2 140 15.4 177.72 44.34 4.71E-03 20 -7.14E-07 2.91E-08 1.14E-06 03/08/97 Yes Yes 790 172 1060 C 3 H 2 145 15.45 171.52 48.97 4.44E-03 20 -6.11E-07 9.32E-08 1.16E-06 03/08/97 Yes Yes 790 172 1060 C 3 H 2 150 15.5 171.83 44.44 2.99E-03 20 -4.48E-07 6.58E-08 7.25E-07 03/08/97 Yes Yes 790 172 1060 C 3 H 3 0 15.5 143.56 57.84 1.30E-03 20 -1.18E-07 8.94E-08 3.83E-07 03/08/97 Yes Yes 792 172 1060 C 3 H 3 5 15.55 165.38 41.67 2.98E-03 20 -4.58E-07 1.22E-07 6.88E-07 03/08/97 Yes Yes 792 172 1060 C 3 H 3 10 15.6 170.02 47.56 2.41E-03 20 -3.39E-07 6.11E-08 6.16E-07 03/08/97 Yes Yes 792 172 1060 C 3 H 3 15 15.65 159.71 49.47 2.49E-03 20 -3.21E-07 1.21E-07 6.55E-07 03/08/97 Yes Yes 792 172 1060 C 3 H 3 20 15.7 153.47 50.15 2.51E-03 20 -3.06E-07 1.56E-07 6.69E-07 03/08/97 Yes Yes 792 172 1060 C 3 H 3 25 15.75 156.8 53.93 2.33E-03 20 -2.68E-07 1.17E-07 6.53E-07 03/08/97 Yes Yes 792 172 1060 C 3 H 3 30 15.8 163.22 49.97 2.43E-03 20 -3.18E-07 9.79E-08 6.45E-07 03/08/97 Yes Yes 792 172 1060 C 3 H 3 35 15.85 162.41 40.34 2.95E-03 20 -4.54E-07 1.47E-07 6.61E-07 03/08/97 Yes Yes 792 172 1060 C 3 H 3 40 15.9 157.88 29.96 3.44E-03 20 -5.86E-07 2.44E-07 5.96E-07 03/08/97 Yes Yes 792 172 1060 C 3 H 3 45 15.95 148.77 30.5 2.36E-03 20 -3.68E-07 2.28E-07 4.15E-07 03/08/97 Yes Yes 792 172 1060 C 3 H 3 50 16 138.82 53.99 1.43E-03 20 -1.34E-07 1.20E-07 4.01E-07 03/08/97 Yes Yes 792 172 1060 C 3 H 3 55 16.05 147.84 45.96 2.61E-03 20 -3.26E-07 2.10E-07 6.51E-07 03/08/97 Yes Yes 792 172 1060 C 3 H 3 60 16.1 152.94 40.55 4.15E-03 20 -5.95E-07 3.11E-07 9.35E-07 03/08/97 Yes Yes 792 172 1060 C 3 H 3 65 16.15 151.54 43.38 4.55E-03 20 -6.16E-07 3.42E-07 1.08E-06 03/08/97 Yes Yes 792 172 1060 C 3 H 3 70 16.2 150.24 48.98 4.13E-03 20 -4.99E-07 2.92E-07 1.08E-06 03/08/97 Yes Yes 792 172 1060 C 3 H 3 75 16.25 145.49 50.38 4.03E-03 20 -4.50E-07 3.16E-07 1.08E-06 03/08/97 Yes Yes 792 172 1060 C 3 H 3 80 16.3 142.13 45.97 4.47E-03 20 -5.20E-07 4.14E-07 1.11E-06 03/08/97 Yes Yes 792 172 1060 C 3 H 3 85 16.35 144.57 42.86 5.25E-03 20 -6.66E-07 4.84E-07 1.24E-06 03/08/97 Yes Yes 792 172 1060 C 3 H 3 90 16.4 147.25 37.93 6.60E-03 20 -9.28E-07 6.11E-07 1.41E-06 03/08/97 Yes Yes 792 172 1060 C 3 H 3 95 16.45 149.82 35.94 6.93E-03 20 -1.03E-06 6.11E-07 1.41E-06 03/08/97 Yes Yes 792 172 1060 C 3 H 3 100 16.5 149.32 41.4 5.78E-03 20 -7.91E-07 4.80E-07 1.33E-06 03/08/97 Yes Yes 792 172 1060 C 3 H 3 105 16.55 145.9 44.19 5.44E-03 20 -6.86E-07 4.75E-07 1.32E-06 03/08/97 Yes Yes 792 172 1060 C 3 H 3 110 16.6 141.57 35.5 5.49E-03 20 -7.43E-07 6.03E-07 1.11E-06 03/08/97 Yes Yes 792 172 1060 C 3 H 3 115 16.65 147.46 22.18 4.98E-03 20 -8.25E-07 5.38E-07 6.52E-07 03/08/97 Yes Yes 792 172 1060 C 3 H 3 120 16.7 160.22 15.62 4.11E-03 20 -7.91E-07 2.91E-07 3.84E-07 03/08/97 Yes Yes 792 172 1060 C 3 H 3 125 16.75 169.95 19.97 3.18E-03 20 -6.24E-07 1.13E-07 3.76E-07 03/08/97 Yes Yes 792 172 1060 C 3 H 3 130 16.8 168.35 29.57 2.56E-03 20 -4.63E-07 9.77E-08 4.39E-07 03/08/97 Yes Yes 792 172 1060 C 3 H 3 135 16.85 158.36 33.47 2.32E-03 20 -3.81E-07 1.54E-07 4.43E-07 03/08/97 Yes Yes 792 172 1060 C 3 H 3 140 16.9 152.57 30.45 2.27E-03 20 -3.69E-07 1.96E-07 3.99E-07 03/08/97 Yes Yes 792 172 1060 C 3 H 3 145 16.95 151.37 26.85 2.24E-03 20 -3.73E-07 2.08E-07 3.51E-07 03/08/97 Yes Yes 792 172 1060 C 3 H 3 150 17 152.95 23.44 1.69E-03 20 -2.93E-07 1.53E-07 2.33E-07 03/08/97 Yes Yes 792 172 1060 C 3 H 4 0 17 124.49 31.4 8.89E-04 20 -9.12E-08 1.36E-07 1.61E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 5 17.05 139.46 22.48 2.01E-03 20 -2.99E-07 2.61E-07 2.66E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 10 17.1 155.64 35.01 1.35E-03 20 -2.14E-07 9.91E-08 2.69E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 15 17.15 161.21 56.86 1.05E-03 20 -1.16E-07 4.02E-08 3.06E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 20 17.2 142.29 43.19 1.70E-03 20 -2.07E-07 1.64E-07 4.02E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 25 17.25 138.83 42.51 2.21E-03 20 -2.60E-07 2.32E-07 5.17E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 30 17.3 136.2 44.75 2.56E-03 20 -2.78E-07 2.73E-07 6.24E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 35 17.35 137.63 41.15 2.56E-03 20 -3.02E-07 2.82E-07 5.84E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 40 17.4 140.75 35.31 2.38E-03 20 -3.19E-07 2.66E-07 4.76E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 45 17.45 139.08 42.65 1.82E-03 20 -2.14E-07 1.90E-07 4.27E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 50 17.5 136.88 48.5 1.97E-03 20 -2.02E-07 1.93E-07 5.10E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 55 17.55 140.12 38.27 2.51E-03 20 -3.20E-07 2.74E-07 5.38E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 60 17.6 144.86 32.51 2.43E-03 20 -3.55E-07 2.55E-07 4.52E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 65 17.65 140.25 27.74 2.46E-03 20 -3.55E-07 3.02E-07 3.97E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 70 17.7 134.08 20.16 3.61E-03 20 -5.00E-07 5.28E-07 4.31E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 75 17.75 132.93 24.48 3.49E-03 20 -4.59E-07 5.05E-07 5.02E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 80 17.8 135.99 34.13 3.18E-03 20 -4.01E-07 3.96E-07 6.18E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 85 17.85 140.62 37.84 3.35E-03 20 -4.34E-07 3.65E-07 7.13E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 90 17.9 145.87 38.57 3.64E-03 20 -4.99E-07 3.46E-07 7.86E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 95 17.95 149.86 46.6 3.28E-03 20 -4.13E-07 2.45E-07 8.25E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 100 18 154.18 49.73 3.37E-03 20 -4.16E-07 2.06E-07 8.93E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 105 18.05 154.8 47.66 3.30E-03 20 -4.26E-07 2.05E-07 8.45E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 110 18.1 149.62 48.53 2.95E-03 20 -3.58E-07 2.15E-07 7.67E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 115 18.15 147.37 43.92 3.08E-03 20 -3.96E-07 2.59E-07 7.40E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 120 18.2 144.61 37.75 3.22E-03 20 -4.40E-07 3.20E-07 6.83E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 125 18.25 141.75 33.9 3.55E-03 20 -4.90E-07 3.95E-07 6.86E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 130 18.3 135.97 34.7 3.53E-03 20 -4.43E-07 4.38E-07 6.97E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 135 18.35 125.46 35.98 3.78E-03 20 -3.76E-07 5.40E-07 7.69E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 140 18.4 123.26 33.47 4.46E-03 20 -4.32E-07 6.74E-07 8.52E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 145 18.45 123.97 30.46 4.48E-03 20 -4.58E-07 6.95E-07 7.88E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 4 150 18.5 126.98 31.76 2.77E-03 20 -3.01E-07 4.09E-07 5.06E-07 03/08/97 Yes Yes 794 172 1060 C 3 H 5 0 18.5 98.38 68.17 1.08E-03 20 -1.25E-08 8.65E-08 3.49E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 5 18.55 132.41 41.87 3.11E-03 20 -3.31E-07 3.71E-07 7.19E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 10 18.6 135.09 42.97 3.71E-03 20 -4.08E-07 4.16E-07 8.77E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 15 18.65 130.83 45.24 3.68E-03 20 -3.59E-07 4.25E-07 9.06E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 20 18.7 126.62 42.9 3.80E-03 20 -3.52E-07 4.84E-07 8.96E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 25 18.75 124.59 45.46 3.67E-03 20 -3.10E-07 4.60E-07 9.08E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 30 18.8 127.04 50 3.46E-03 20 -2.84E-07 3.85E-07 9.18E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 35 18.85 127.48 48.38 3.65E-03 20 -3.13E-07 4.18E-07 9.47E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 40 18.9 130.75 45.2 3.57E-03 20 -3.48E-07 4.14E-07 8.79E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 45 18.95 131.3 40.66 3.74E-03 20 -3.97E-07 4.62E-07 8.44E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 50 19 135.36 36.81 3.84E-03 20 -4.64E-07 4.68E-07 7.97E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 55 19.05 138.3 38.36 3.03E-03 20 -3.76E-07 3.43E-07 6.52E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 60 19.1 134.87 45.11 2.30E-03 20 -2.43E-07 2.50E-07 5.65E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 65 19.15 137.69 46.11 2.16E-03 20 -2.35E-07 2.19E-07 5.41E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 70 19.2 140.81 46.55 2.05E-03 20 -2.32E-07 1.93E-07 5.17E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 75 19.25 140.94 44.61 2.44E-03 20 -2.87E-07 2.38E-07 5.95E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 80 19.3 145.93 39.06 3.23E-03 20 -4.41E-07 3.05E-07 7.06E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 85 19.35 151.34 36.13 3.54E-03 20 -5.32E-07 2.97E-07 7.23E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 90 19.4 155.25 37.16 3.07E-03 20 -4.71E-07 2.22E-07 6.43E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 95 19.45 158.93 37.48 2.67E-03 20 -4.20E-07 1.65E-07 5.64E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 100 19.5 159.02 35.91 2.61E-03 20 -4.18E-07 1.64E-07 5.30E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 105 19.55 157.48 34.51 2.66E-03 20 -4.30E-07 1.82E-07 5.23E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 110 19.6 156.3 34.07 2.67E-03 20 -4.29E-07 1.93E-07 5.18E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 115 19.65 159.21 31.37 2.99E-03 20 -5.06E-07 1.96E-07 5.39E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 120 19.7 163.73 32.65 3.13E-03 20 -5.37E-07 1.60E-07 5.85E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 125 19.75 163.16 36.24 3.01E-03 20 -4.93E-07 1.53E-07 6.17E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 130 19.8 163.72 35.07 3.28E-03 20 -5.47E-07 1.63E-07 6.54E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 135 19.85 164.08 37.58 3.19E-03 20 -5.17E-07 1.51E-07 6.76E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 140 19.9 156.89 39.36 3.67E-03 20 -5.54E-07 2.42E-07 8.07E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 145 19.95 156.91 33.49 4.28E-03 20 -6.97E-07 3.04E-07 8.19E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 5 150 20 160.31 30.55 2.78E-03 20 -4.78E-07 1.75E-07 4.90E-07 03/08/97 Yes Yes 796 172 1060 C 3 H 6 0 20 140.72 55.76 1.18E-03 20 -1.09E-07 9.15E-08 3.39E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 5 20.05 153.99 36.17 3.09E-03 20 -4.76E-07 2.37E-07 6.32E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 10 20.1 155.77 38.64 2.88E-03 20 -4.35E-07 2.00E-07 6.24E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 15 20.15 153.4 41.47 2.57E-03 20 -3.66E-07 1.87E-07 5.91E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 20 20.2 155.82 43.23 2.36E-03 20 -3.32E-07 1.53E-07 5.60E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 25 20.25 155.8 43.75 2.42E-03 20 -3.38E-07 1.55E-07 5.79E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 30 20.3 158.28 39.67 2.62E-03 20 -3.98E-07 1.62E-07 5.81E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 35 20.35 159.08 41.77 2.32E-03 20 -3.43E-07 1.34E-07 5.35E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 40 20.4 158.52 38.84 2.58E-03 20 -3.97E-07 1.60E-07 5.61E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 45 20.45 156.62 37.34 2.77E-03 20 -4.29E-07 1.90E-07 5.83E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 50 20.5 151.4 34.47 3.34E-03 20 -5.13E-07 2.86E-07 6.56E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 55 20.55 152.52 31.53 3.71E-03 20 -5.95E-07 3.17E-07 6.73E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 60 20.6 154.18 33.61 3.27E-03 20 -5.20E-07 2.57E-07 6.28E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 65 20.65 151.49 40.91 2.40E-03 20 -3.38E-07 1.88E-07 5.44E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 70 20.7 151.72 43.57 2.49E-03 20 -3.38E-07 1.86E-07 5.96E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 75 20.75 153.84 39.09 2.67E-03 20 -3.95E-07 1.98E-07 5.84E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 80 20.8 152.53 40.02 2.60E-03 20 -3.74E-07 1.99E-07 5.79E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 85 20.85 149.95 41.38 2.58E-03 20 -3.56E-07 2.11E-07 5.92E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 90 20.9 149.88 46.02 2.17E-03 20 -2.76E-07 1.64E-07 5.41E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 95 20.95 150.24 50.07 2.15E-03 20 -2.54E-07 1.49E-07 5.72E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 100 21 148.48 49.71 2.46E-03 20 -2.88E-07 1.80E-07 6.51E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 105 21.05 147.22 50.54 2.69E-03 20 -3.05E-07 2.01E-07 7.21E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 110 21.1 134.33 52.63 3.13E-03 20 -2.82E-07 2.95E-07 8.63E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 115 21.15 121.77 55.69 3.20E-03 20 -2.01E-07 3.33E-07 9.16E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 120 21.2 125.99 62.32 3.16E-03 20 -1.83E-07 2.58E-07 9.70E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 125 21.25 121.51 63.88 2.97E-03 20 -1.45E-07 2.42E-07 9.25E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 130 21.3 126.29 56.86 2.82E-03 20 -1.94E-07 2.70E-07 8.20E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 135 21.35 140.33 53.14 2.79E-03 20 -2.73E-07 2.32E-07 7.74E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 140 21.4 147.57 49.14 2.95E-03 20 -3.45E-07 2.24E-07 7.72E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 145 21.45 154.4 43.94 2.86E-03 20 -3.93E-07 1.93E-07 6.87E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 6 150 21.5 162.56 41.58 1.78E-03 20 -2.69E-07 8.65E-08 4.09E-07 03/08/97 Yes Yes 798 172 1060 C 3 H 7 0 21.5 98.89 66.22 9.01E-04 20 -1.19E-08 7.78E-08 2.86E-07 03/08/97 Yes Yes 800 172 1060 C 3 H 7 5 21.55 141.5 47.94 2.32E-03 20 -2.58E-07 2.10E-07 5.98E-07 03/08/97 Yes Yes 800 172 1060 C 3 H 7 10 21.6 152.71 43.31 2.87E-03 20 -3.93E-07 2.07E-07 6.82E-07 03/08/97 Yes Yes 800 172 1060 C 3 H 7 15 21.65 152.19 39.82 3.19E-03 20 -4.60E-07 2.48E-07 7.09E-07 03/08/97 Yes Yes 800 172 1060 C 3 H 7 20 21.7 148.72 38.65 3.37E-03 20 -4.77E-07 2.96E-07 7.29E-07 03/08/97 Yes Yes 800 172 1060 C 3 H 7 25 21.75 141.71 40.05 3.45E-03 20 -4.40E-07 3.55E-07 7.70E-07 03/08/97 Yes Yes 800 172 1060 C 3 H 7 30 21.8 151.38 41.92 3.07E-03 20 -4.26E-07 2.37E-07 7.11E-07 03/08/97 Yes Yes 800 172 1060 C 3 H 7 35 21.85 163.13 47.51 1.76E-03 20 -2.41E-07 7.47E-08 4.49E-07 03/08/97 Yes Yes 800 172 1060 C 3 H 7 40 21.9 88.29 62.25 1.59E-03 20 4.71E-09 1.61E-07 4.89E-07 03/08/97 Yes Yes 800 172 1060 C 3 H 7 45 21.95 92.93 67.73 3.01E-03 20 -1.24E-08 2.47E-07 9.66E-07 03/08/97 Yes Yes 800 172 1060 C 4 H 1 0 22 301.39 42.7 1.38E-03 20 1.12E-07 -1.88E-07 3.24E-07 03/08/97 Yes Yes 802 172 1060 C 4 H 1 5 22.05 297.29 37.64 2.75E-03 20 2.11E-07 -4.19E-07 5.81E-07 03/08/97 Yes Yes 802 172 1060 C 4 H 1 10 22.1 262.04 54.46 2.24E-03 20 -3.82E-08 -2.80E-07 6.32E-07 03/08/97 Yes Yes 802 172 1060 C 4 H 1 15 22.15 292.14 46.5 2.54E-03 20 1.40E-07 -3.51E-07 6.38E-07 03/08/97 Yes Yes 802 172 1060 C 4 H 1 20 22.2 315.37 40.43 2.69E-03 20 3.09E-07 -3.12E-07 6.04E-07 03/08/97 Yes Yes 802 172 1060 C 4 H 1 25 22.25 333.4 44.44 2.48E-03 20 3.36E-07 -1.72E-07 6.03E-07 03/08/97 Yes Yes 802 172 1060 C 4 H 1 30 22.3 323.81 46.99 2.61E-03 20 3.04E-07 -2.28E-07 6.61E-07 03/08/97 Yes Yes 802 172 1060 C 4 H 1 35 22.35 315.38 46.48 3.07E-03 20 3.19E-07 -3.22E-07 7.72E-07 03/08/97 Yes Yes 802 172 1060 C 4 H 1 40 22.4 315.73 49.83 3.31E-03 20 3.24E-07 -3.23E-07 8.77E-07 03/08/97 Yes Yes 802 172 1060 C 4 H 1 45 22.45 315.95 50.06 3.65E-03 20 3.58E-07 -3.54E-07 9.72E-07 03/08/97 Yes Yes 802 172 1060 C 4 H 1 50 22.5 312.7 52.16 3.94E-03 20 3.47E-07 -3.85E-07 1.08E-06 03/08/97 Yes Yes 802 172 1060 C 4 H 1 55 22.55 310.24 54.94 3.98E-03 20 3.13E-07 -3.78E-07 1.13E-06 03/08/97 Yes Yes 802 172 1060 C 4 H 1 60 22.6 306.63 55.78 3.79E-03 20 2.70E-07 -3.71E-07 1.09E-06 03/08/97 Yes Yes 802 172 1060 C 4 H 1 65 22.65 308.69 52.72 3.62E-03 20 2.91E-07 -3.71E-07 9.98E-07 03/08/97 Yes Yes 802 172 1060 C 4 H 1 70 22.7 316.38 48.63 3.41E-03 20 3.46E-07 -3.38E-07 8.88E-07 03/08/97 Yes Yes 802 172 1060 C 4 H 1 75 22.75 327.94 41.28 3.49E-03 20 4.72E-07 -3.02E-07 7.99E-07 03/08/97 Yes Yes 802 172 1060 C 4 H 1 80 22.8 333.98 35.25 3.66E-03 20 5.69E-07 -2.84E-07 7.32E-07 03/08/97 Yes Yes 802 172 1060 C 4 H 1 85 22.85 334.44 29.69 4.43E-03 20 7.36E-07 -3.60E-07 7.60E-07 03/08/97 Yes Yes 802 172 1060 C 4 H 1 90 22.9 331.1 32.48 5.02E-03 20 7.87E-07 -4.44E-07 9.35E-07 03/08/97 Yes Yes 802 172 1060 C 4 H 1 95 22.95 330.57 35.71 5.06E-03 20 7.59E-07 -4.38E-07 1.02E-06 03/08/97 Yes Yes 802 172 1060 C 4 H 1 100 23 326.96 39.47 4.67E-03 20 6.41E-07 -4.27E-07 1.03E-06 03/08/97 Yes Yes 802 172 1060 C 4 H 1 105 23.05 320.5 35.34 4.10E-03 20 5.48E-07 -4.62E-07 8.23E-07 03/08/97 Yes Yes 802 172 1060 C 4 H 1 110 23.1 321.17 24.92 4.10E-03 20 6.14E-07 -5.05E-07 5.98E-07 03/08/97 Yes Yes 802 172 1060 C 4 H 1 115 23.15 326.3 23.01 3.53E-03 20 5.74E-07 -3.91E-07 4.79E-07 03/08/97 Yes Yes 802 172 1060 C 4 H 1 120 23.2 328.23 19.03 3.40E-03 20 5.80E-07 -3.67E-07 3.85E-07 03/08/97 Yes Yes 802 172 1060 C 4 H 1 125 23.25 332.58 15.54 3.72E-03 20 6.75E-07 -3.58E-07 3.46E-07 03/08/97 Yes Yes 802 172 1060 C 4 H 1 130 23.3 335.5 17.84 3.44E-03 20 6.32E-07 -2.95E-07 3.65E-07 03/08/97 Yes Yes 802 172 1060 C 4 H 1 135 23.35 334.99 19.06 3.38E-03 20 6.14E-07 -2.93E-07 3.83E-07 03/08/97 Yes Yes 802 172 1060 C 4 H 1 140 23.4 327.47 23.32 3.38E-03 20 5.55E-07 -3.62E-07 4.64E-07 03/08/97 Yes Yes 802 172 1060 C 4 H 1 145 23.45 318.58 24.23 3.56E-03 20 5.16E-07 -4.66E-07 5.06E-07 03/08/97 Yes Yes 802 172 1060 C 4 H 1 150 23.5 309.31 30.84 2.17E-03 20 2.50E-07 -3.13E-07 3.86E-07 03/08/97 Yes Yes 802 172 1060 C 4 H 2 0 23.5 320.16 31.05 7.75E-04 20 1.08E-07 -9.22E-08 1.39E-07 03/08/97 Yes Yes 804 172 1060 C 4 H 2 5 23.55 308.38 27.78 2.46E-03 20 2.87E-07 -3.71E-07 3.98E-07 03/08/97 Yes Yes 804 172 1060 C 4 H 2 10 23.6 307.54 34.52 2.42E-03 20 2.58E-07 -3.43E-07 4.76E-07 03/08/97 Yes Yes 804 172 1060 C 4 H 2 15 23.65 307.72 31.85 2.54E-03 20 2.80E-07 -3.70E-07 4.65E-07 03/08/97 Yes Yes 804 172 1060 C 4 H 2 20 23.7 307.04 27.71 2.78E-03 20 3.14E-07 -4.26E-07 4.48E-07 03/08/97 Yes Yes 804 172 1060 C 4 H 2 25 23.75 309.41 32.13 2.01E-03 20 2.29E-07 -2.85E-07 3.71E-07 03/08/97 Yes Yes 804 172 1060 C 4 H 2 30 23.8 311.21 32.37 1.81E-03 20 2.13E-07 -2.49E-07 3.36E-07 03/08/97 Yes Yes 804 172 1060 C 4 H 2 35 23.85 307.5 29.43 1.96E-03 20 2.20E-07 -2.94E-07 3.34E-07 03/08/97 Yes Yes 804 172 1060 C 4 H 2 40 23.9 308.43 28.01 1.95E-03 20 2.26E-07 -2.92E-07 3.17E-07 03/08/97 Yes Yes 804 172 1060 C 4 H 2 45 23.95 307.24 28.89 1.97E-03 20 2.21E-07 -2.97E-07 3.30E-07 03/08/97 Yes Yes 804 172 1060 C 4 H 2 50 24 309.4 31.18 1.91E-03 20 2.20E-07 -2.74E-07 3.43E-07 03/08/97 Yes Yes 804 172 1060 C 4 H 2 55 24.05 309.9 30.39 1.89E-03 20 2.22E-07 -2.72E-07 3.32E-07 03/08/97 Yes Yes 804 172 1060 C 4 H 2 60 24.1 312.42 29.78 2.04E-03 20 2.53E-07 -2.83E-07 3.51E-07 03/08/97 Yes Yes 804 172 1060 C 4 H 2 65 24.15 310.59 31.57 1.96E-03 20 2.31E-07 -2.76E-07 3.57E-07 03/08/97 Yes Yes 804 172 1060 C 4 H 2 70 24.2 307.98 32.78 1.77E-03 20 1.94E-07 -2.54E-07 3.32E-07 03/08/97 Yes Yes 804 172 1060 C 4 H 2 75 24.25 309.04 32.44 1.61E-03 20 1.82E-07 -2.29E-07 3.00E-07 03/08/97 Yes Yes 804 172 1060 C 4 H 2 80 24.3 304.52 32.93 1.67E-03 20 1.68E-07 -2.50E-07 3.14E-07 03/08/97 Yes Yes 804 172 1060 C 4 H 2 85 24.35 306.08 31.55 2.00E-03 20 2.12E-07 -2.98E-07 3.62E-07 03/08/97 Yes Yes 804 172 1060 C 4 H 2 90 24.4 296.7 36.91 2.00E-03 20 1.52E-07 -3.09E-07 4.15E-07 03/08/97 Yes Yes 804 172 1060 C 4 H 2 95 24.45 283.7 37.36 1.73E-03 20 6.90E-08 -2.90E-07 3.64E-07 03/08/97 Yes Yes 804 172 1060 C 4 H 2 100 24.5 280.47 34.01 1.95E-03 20 6.22E-08 -3.44E-07 3.77E-07 03/08/97 Yes Yes 804 172 1060 C 4 H 2 105 24.55 329.22 45.6 2.62E-03 20 3.33E-07 -2.03E-07 6.48E-07 03/08/97 Yes Yes 804 172 1060 C 4 H 2 110 24.6 347.6 54.24 5.17E-03 20 6.26E-07 -1.41E-07 1.45E-06 03/08/97 Yes Yes 804 172 1060 C 4 H 2 115 24.65 25.49 25.92 1.56E-02 20 2.69E-06 1.31E-06 2.37E-06 03/08/97 Yes Yes 804 172 1060 C 4 H 2 120 24.7 23.28 51.65 1.25E-02 20 1.52E-06 6.67E-07 3.41E-06 03/08/97 Yes Yes 804 172 1060 C 4 H 2 125 24.75 265.05 53.37 4.46E-03 20 -4.88E-08 -5.75E-07 1.24E-06 03/08/97 Yes Yes 804 172 1060 C 4 H 2 130 24.8 357.53 63.44 3.66E-03 20 3.47E-07 -1.53E-08 1.13E-06 03/08/97 Yes Yes 804 172 1060 C 4 H 2 135 24.85 289.25 44.38 4.26E-03 20 2.13E-07 -6.24E-07 1.03E-06 03/08/97 Yes Yes 804 172 1060 C 4 H 2 140 24.9 287.39 42.13 2.63E-03 20 1.24E-07 -4.04E-07 6.12E-07 03/08/97 Yes Yes 804 172 1060 C 4 H 2 145 24.95 332.77 12 9.14E-03 20 1.69E-06 -8.87E-07 6.58E-07 03/08/97 Yes Yes 804 172 1060 C 4 H 2 150 25 345.47 26.53 7.38E-03 20 1.36E-06 -3.59E-07 1.14E-06 03/08/97 Yes Yes 804 172 1060 C 4 H 3 0 25 323.16 23.96 1.31E-02 20 2.03E-06 -1.55E-06 1.84E-06 03/08/97 Yes Yes 806 172 1060 C 4 H 3 5 25.05 341.74 39.32 1.68E-02 20 2.62E-06 -8.82E-07 3.69E-06 03/08/97 Yes Yes 806 172 1060 C 4 H 3 10 25.1 344.95 45.81 1.22E-02 20 1.74E-06 -4.79E-07 3.04E-06 03/08/97 Yes Yes 806 172 1060 C 4 H 3 15 25.15 330.17 85.92 3.86E-03 20 5.05E-08 -2.96E-08 1.33E-06 03/08/97 Yes Yes 806 172 1060 C 4 H 3 20 25.2 354.63 84.58 2.38E-03 20 4.73E-08 -4.55E-09 8.20E-07 03/08/97 Yes Yes 806 172 1060 C 4 H 3 25 25.25 261.32 40.86 2.12E-03 20 -5.12E-08 -3.43E-07 4.80E-07 03/08/97 Yes Yes 806 172 1060 C 4 H 3 30 25.3 276.81 35.16 1.68E-03 20 3.45E-08 -2.95E-07 3.34E-07 03/08/97 Yes Yes 806 172 1060 C 4 H 3 35 25.35 303.12 38.22 1.44E-03 20 1.31E-07 -2.05E-07 3.08E-07 03/08/97 Yes Yes 806 172 1060 C 4 H 3 40 25.4 306.09 42.82 1.09E-03 20 9.99E-08 -1.40E-07 2.57E-07 03/08/97 Yes Yes 806 172 1060 C 4 H 3 45 25.45 328.92 40.44 9.64E-04 20 1.33E-07 -8.21E-08 2.17E-07 03/08/97 Yes Yes 806 172 1060 C 4 H 3 50 25.5 6.88 38.92 1.08E-03 20 1.78E-07 2.19E-08 2.36E-07 03/08/97 Yes Yes 806 172 1060 C 4 H 3 55 25.55 297.64 43.31 9.78E-04 20 7.00E-08 -1.37E-07 2.33E-07 03/08/97 Yes Yes 806 172 1060 C 4 H 3 60 25.6 297.47 35.75 1.13E-03 20 8.96E-08 -1.76E-07 2.29E-07 03/08/97 Yes Yes 806 172 1060 C 4 H 3 65 25.65 303.88 33.19 1.23E-03 20 1.22E-07 -1.86E-07 2.34E-07 03/08/97 Yes Yes 806 172 1060 C 4 H 3 70 25.7 303.56 30.63 1.33E-03 20 1.35E-07 -2.07E-07 2.36E-07 03/08/97 Yes Yes 806 172 1060 C 4 H 3 75 25.75 303.14 32.32 1.29E-03 20 1.26E-07 -1.97E-07 2.38E-07 03/08/97 Yes Yes 806 172 1060 C 4 H 3 80 25.8 310.93 33.84 1.40E-03 20 1.62E-07 -1.90E-07 2.70E-07 03/08/97 Yes Yes 806 172 1060 C 4 H 3 85 25.85 301.73 34.14 1.42E-03 20 1.32E-07 -2.18E-07 2.77E-07 03/08/97 Yes Yes 806 172 1060 C 4 H 3 90 25.9 348.1 23.03 1.79E-03 20 3.43E-07 -7.38E-08 2.43E-07 03/08/97 Yes Yes 806 172 1060 C 4 H 3 95 25.95 327.86 35.69 1.63E-03 20 2.38E-07 -1.53E-07 3.30E-07 03/08/97 Yes Yes 806 172 1060 C 4 H 3 100 26 293.94 37.79 1.23E-03 20 8.38E-08 -1.93E-07 2.62E-07 03/08/97 Yes Yes 806 172 1060 C 4 H 3 105 26.05 297.97 34.47 1.14E-03 20 9.38E-08 -1.81E-07 2.24E-07 03/08/97 Yes Yes 806 172 1060 C 4 H 3 110 26.1 297.47 32.58 1.20E-03 20 9.87E-08 -1.94E-07 2.24E-07 03/08/97 Yes Yes 806 172 1060 C 4 H 3 115 26.15 284.6 30.43 1.18E-03 20 5.44E-08 -2.14E-07 2.07E-07 03/08/97 Yes Yes 806 172 1060 C 4 H 3 120 26.2 263.73 17.34 1.26E-03 20 -2.79E-08 -2.59E-07 1.30E-07 03/08/97 Yes Yes 806 172 1060 C 4 H 3 125 26.25 354.65 -2.09 1.54E-03 20 3.26E-07 -3.12E-08 -1.95E-08 03/08/97 Yes Yes 806 172 1060 C 4 H 3 130 26.3 34.83 3.12 5.70E-03 20 9.91E-07 7.05E-07 1.07E-07 03/08/97 Yes Yes 806 172 1060 C 4 H 3 135 26.35 10.84 37.01 1.92E-03 20 3.20E-07 6.27E-08 4.01E-07 03/08/97 Yes Yes 806 172 1060 C 4 H 3 140 26.4 279.44 26.23 1.20E-03 20 3.75E-08 -2.30E-07 1.84E-07 03/08/97 Yes Yes 806 172 1060 C 4 H 3 145 26.45 285.94 26.2 9.18E-04 20 4.80E-08 -1.72E-07 1.41E-07 03/08/97 Yes Yes 806 172 1060 C 4 H 3 150 26.5 280.63 31.25 5.17E-04 20 1.73E-08 -9.42E-08 9.30E-08 03/08/97 Yes Yes 806 172 1060 C 4 H 4 0 26.5 309.64 37.57 1.66E-04 20 1.78E-08 -2.20E-08 3.52E-08 03/08/97 Yes Yes 808 172 1060 C 4 H 4 5 26.55 304.76 29.2 7.22E-04 20 7.63E-08 -1.12E-07 1.22E-07 03/08/97 Yes Yes 808 172 1060 C 4 H 4 10 26.6 302.6 35.57 8.71E-04 20 8.10E-08 -1.30E-07 1.76E-07 03/08/97 Yes Yes 808 172 1060 C 4 H 4 15 26.65 297.8 38.43 7.63E-04 20 5.91E-08 -1.15E-07 1.64E-07 03/08/97 Yes Yes 808 172 1060 C 4 H 4 20 26.7 291.51 39.9 5.37E-04 20 3.20E-08 -8.31E-08 1.19E-07 03/08/97 Yes Yes 808 172 1060 C 4 H 4 25 26.75 296.3 56.21 2.32E-04 20 1.21E-08 -2.51E-08 6.69E-08 03/08/97 Yes Yes 808 172 1060 C 4 H 4 30 26.8 4.85 76.51 9.80E-05 20 4.83E-09 4.20E-10 3.30E-08 03/08/97 Yes Yes 808 172 1060 C 4 H 4 35 26.85 61.88 52.24 8.22E-05 20 5.03E-09 9.63E-09 2.25E-08 03/08/97 Yes Yes 808 172 1060 C 4 H 4 40 26.9 328.33 39.1 1.78E-04 20 2.49E-08 -1.57E-08 3.89E-08 03/08/97 Yes Yes 808 172 1060 C 4 H 4 45 26.95 288.87 14.02 3.47E-04 20 2.31E-08 -6.92E-08 2.92E-08 03/08/97 Yes Yes 808 172 1060 C 4 H 4 50 27 327.67 46.68 8.36E-05 20 1.03E-08 -6.65E-09 2.11E-08 03/08/97 Yes Yes 808 172 1060 C 4 H 4 55 27.05 349.95 44.02 1.12E-04 20 1.68E-08 -3.05E-09 2.69E-08 03/08/97 Yes Yes 808 172 1060 C 4 H 4 60 27.1 336.22 45.53 1.38E-04 20 1.88E-08 -8.45E-09 3.41E-08 03/08/97 Yes Yes 808 172 1060 C 4 H 4 65 27.15 319.31 42.46 1.87E-04 20 2.22E-08 -1.96E-08 4.39E-08 03/08/97 Yes Yes 808 172 1060 C 4 H 4 70 27.2 316.01 38.92 2.60E-04 20 3.09E-08 -3.05E-08 5.67E-08 03/08/97 Yes Yes 808 172 1060 C 4 H 4 75 27.25 316.25 40.36 2.76E-04 20 3.22E-08 -3.16E-08 6.20E-08 03/08/97 Yes Yes 808 172 1060 C 4 H 4 80 27.3 315.16 43.49 2.81E-04 20 3.07E-08 -3.12E-08 6.72E-08 03/08/97 Yes Yes 808 172 1060 C 4 H 4 85 27.35 317.07 43.31 2.90E-04 20 3.27E-08 -3.11E-08 6.89E-08 03/08/97 Yes Yes 808 172 1060 C 4 H 4 90 27.4 319.22 42.53 3.05E-04 20 3.62E-08 -3.19E-08 7.16E-08 03/08/97 Yes Yes 808 172 1060 C 4 H 4 95 27.45 316.45 44.81 3.03E-04 20 3.30E-08 -3.21E-08 7.40E-08 03/08/97 Yes Yes 808 172 1060 C 4 H 4 100 27.5 311.15 45.06 2.88E-04 20 2.84E-08 -3.33E-08 7.08E-08 03/08/97 Yes Yes 808 172 1060 C 4 H 4 105 27.55 312.93 45.36 2.83E-04 20 2.87E-08 -3.16E-08 6.98E-08 03/08/97 Yes Yes 808 172 1060 C 4 H 4 110 27.6 311.83 41.14 3.04E-04 20 3.24E-08 -3.70E-08 6.93E-08 03/08/97 Yes Yes 808 172 1060 C 4 H 4 115 27.65 308.76 39.35 3.17E-04 20 3.25E-08 -4.14E-08 6.96E-08 03/08/97 Yes Yes 808 172 1060 C 4 H 4 120 27.7 310.68 44.09 2.80E-04 20 2.78E-08 -3.31E-08 6.75E-08 03/08/97 Yes Yes 808 172 1060 C 4 H 4 125 27.75 318.39 43.29 2.74E-04 20 3.17E-08 -2.88E-08 6.53E-08 03/08/97 Yes Yes 808 172 1060 C 4 H 4 130 27.8 317.57 39.63 3.15E-04 20 3.80E-08 -3.55E-08 6.96E-08 03/08/97 Yes Yes 808 172 1060 C 4 H 4 135 27.85 318.48 40.66 3.22E-04 20 3.88E-08 -3.51E-08 7.27E-08 03/08/97 Yes Yes 808 172 1060 C 4 H 4 140 27.9 319.14 42.04 3.15E-04 20 3.75E-08 -3.32E-08 7.31E-08 03/08/97 Yes Yes 808 172 1060 C 4 H 4 145 27.95 287.29 30.41 3.85E-04 20 2.09E-08 -6.87E-08 6.76E-08 03/08/97 Yes Yes 808 172 1060 C 4 H 4 150 28 262.1 12.92 2.56E-04 20 -7.27E-09 -5.36E-08 1.98E-08 03/08/97 Yes Yes 808 172 1060 C 4 H 5 0 28 269.81 38.65 4.21E-05 20 -2.36E-11 -7.13E-09 9.11E-09 03/08/97 Yes Yes 810 172 1060 C 4 H 5 5 28.05 322.15 47.07 2.23E-04 20 2.55E-08 -2.03E-08 5.67E-08 03/08/97 Yes Yes 810 172 1060 C 4 H 5 10 28.1 314.67 49.75 2.81E-04 20 2.71E-08 -2.80E-08 7.43E-08 03/08/97 Yes Yes 810 172 1060 C 4 H 5 15 28.15 312.92 51.57 2.72E-04 20 2.44E-08 -2.69E-08 7.39E-08 03/08/97 Yes Yes 810 172 1060 C 4 H 5 20 28.2 306.79 47.27 3.01E-04 20 2.59E-08 -3.54E-08 7.66E-08 03/08/97 Yes Yes 810 172 1060 C 4 H 5 25 28.25 304.48 47.67 3.01E-04 20 2.43E-08 -3.62E-08 7.71E-08 03/08/97 Yes Yes 810 172 1060 C 4 H 5 30 28.3 305.41 42.79 3.15E-04 20 2.84E-08 -4.08E-08 7.41E-08 03/08/97 Yes Yes 810 172 1060 C 4 H 5 35 28.35 301.86 39.54 3.76E-04 20 3.24E-08 -5.34E-08 8.29E-08 03/08/97 Yes Yes 810 172 1060 C 4 H 5 40 28.4 298.51 39.83 4.06E-04 20 3.16E-08 -5.95E-08 9.03E-08 03/08/97 Yes Yes 810 172 1060 C 4 H 5 45 28.45 297.3 38.77 4.41E-04 20 3.35E-08 -6.63E-08 9.58E-08 03/08/97 Yes Yes 810 172 1060 C 4 H 5 50 28.5 295.15 39.53 4.37E-04 20 3.04E-08 -6.61E-08 9.63E-08 03/08/97 Yes Yes 810 172 1060 C 4 H 5 55 28.55 301.45 43.52 3.80E-04 20 3.05E-08 -5.10E-08 9.08E-08 03/08/97 Yes Yes 810 172 1060 C 4 H 5 60 28.6 306.92 41.56 4.47E-04 20 4.26E-08 -5.80E-08 1.03E-07 03/08/97 Yes Yes 810 172 1060 C 4 H 5 65 28.65 301.6 39.83 5.53E-04 20 4.72E-08 -7.84E-08 1.23E-07 03/08/97 Yes Yes 810 172 1060 C 4 H 5 70 28.7 300.32 39.67 5.95E-04 20 4.91E-08 -8.58E-08 1.32E-07 03/08/97 Yes Yes 810 172 1060 C 4 H 5 75 28.75 302 43.98 5.71E-04 20 4.62E-08 -7.56E-08 1.38E-07 03/08/97 Yes Yes 810 172 1060 C 4 H 5 80 28.8 298.79 44.92 5.69E-04 20 4.11E-08 -7.66E-08 1.39E-07 03/08/97 Yes Yes 810 172 1060 C 4 H 5 85 28.85 294.35 43.54 5.89E-04 20 3.73E-08 -8.44E-08 1.41E-07 03/08/97 Yes Yes 810 172 1060 C 4 H 5 90 28.9 290.95 42.01 5.97E-04 20 3.37E-08 -8.99E-08 1.39E-07 03/08/97 Yes Yes 810 172 1060 C 4 H 5 95 28.95 287.75 39.72 5.94E-04 20 2.95E-08 -9.44E-08 1.32E-07 03/08/97 Yes Yes 810 172 1060 C 4 H 5 100 29 283.66 40.82 4.67E-04 20 1.77E-08 -7.45E-08 1.06E-07 03/08/97 Yes Yes 810 172 1060 C 4 H 5 105 29.05 290.95 41.09 3.88E-04 20 2.22E-08 -5.92E-08 8.84E-08 03/08/97 Yes Yes 810 172 1060 C 4 H 5 110 29.1 290.26 36.54 4.08E-04 20 2.41E-08 -6.67E-08 8.42E-08 03/08/97 Yes Yes 810 172 1060 C 4 H 5 115 29.15 277.01 37.35 3.18E-04 20 6.55E-09 -5.45E-08 6.69E-08 03/08/97 Yes Yes 810 172 1060 C 4 H 5 120 29.2 349.96 25.76 2.11E-04 20 3.96E-08 -7.18E-09 3.17E-08 03/08/97 Yes Yes 810 172 1060 C 4 H 5 125 29.25 29.31 12.58 8.63E-04 20 1.56E-07 8.94E-08 6.51E-08 03/08/97 Yes Yes 810 172 1060 C 4 H 5 130 29.3 294.02 61.16 2.34E-04 20 9.75E-09 -2.24E-08 7.11E-08 03/08/97 Yes Yes 810 172 1060 C 4 H 5 135 29.35 271.16 44.74 2.22E-04 20 6.78E-10 -3.42E-08 5.42E-08 03/08/97 Yes Yes 810 172 1060 C 4 H 5 140 29.4 299.16 46.83 2.13E-04 20 1.50E-08 -2.76E-08 5.38E-08 03/08/97 Yes Yes 810 172 1060 C 4 H 5 145 29.45 309.57 40.64 2.30E-04 20 2.36E-08 -2.92E-08 5.20E-08 03/08/97 Yes Yes 810 172 1060 C 4 H 5 150 29.5 306.06 50.29 1.53E-04 20 1.22E-08 -1.71E-08 4.08E-08 03/08/97 Yes Yes 810 172 1060 C 4 H 6 0 29.5 328.15 46.36 7.79E-05 20 9.69E-09 -6.15E-09 1.95E-08 03/08/97 Yes Yes 812 172 1060 C 4 H 6 5 29.55 318.45 40.32 2.41E-04 20 2.92E-08 -2.65E-08 5.41E-08 03/08/97 Yes Yes 812 172 1060 C 4 H 6 10 29.6 313.31 48.68 2.66E-04 20 2.55E-08 -2.77E-08 6.92E-08 03/08/97 Yes Yes 812 172 1060 C 4 H 6 15 29.65 311.88 55.81 2.60E-04 20 2.07E-08 -2.36E-08 7.46E-08 03/08/97 Yes Yes 812 172 1060 C 4 H 6 20 29.7 310.56 49.33 3.08E-04 20 2.77E-08 -3.30E-08 8.09E-08 03/08/97 Yes Yes 812 172 1060 C 4 H 6 25 29.75 297.68 47.11 2.97E-04 20 2.00E-08 -3.89E-08 7.56E-08 03/08/97 Yes Yes 812 172 1060 C 4 H 6 30 29.8 285.69 50.24 2.10E-04 20 7.71E-09 -2.81E-08 5.60E-08 03/08/97 Yes Yes 812 172 1060 C 4 H 6 35 29.85 298.55 49.65 2.06E-04 20 1.35E-08 -2.55E-08 5.45E-08 03/08/97 Yes Yes 812 172 1060 C 4 H 6 40 29.9 312.55 50.51 2.60E-04 20 2.37E-08 -2.64E-08 6.95E-08 03/08/97 Yes Yes 812 172 1060 C 4 H 6 45 29.95 309.02 47.92 3.68E-04 20 3.29E-08 -4.16E-08 9.47E-08 03/08/97 Yes Yes 812 172 1060 C 4 H 6 50 30 306.33 47.73 4.23E-04 20 3.57E-08 -4.97E-08 1.08E-07 03/08/97 Yes Yes 812 172 1060 C 4 H 6 55 30.05 307.9 41.9 5.05E-04 20 4.90E-08 -6.43E-08 1.17E-07 03/08/97 Yes Yes 812 172 1060 C 4 H 6 60 30.1 310.22 37.32 5.52E-04 20 6.01E-08 -7.27E-08 1.16E-07 03/08/97 Yes Yes 812 172 1060 C 4 H 6 65 30.15 305.8 42.29 5.01E-04 20 4.60E-08 -6.52E-08 1.17E-07 03/08/97 Yes Yes 812 172 1060 C 4 H 6 70 30.2 293.73 44.51 4.46E-04 20 2.72E-08 -6.32E-08 1.09E-07 03/08/97 Yes Yes 812 172 1060 C 4 H 6 75 30.25 299.74 43.14 3.35E-04 20 2.57E-08 -4.61E-08 7.95E-08 03/08/97 Yes Yes 812 172 1060 C 4 H 6 80 30.3 20.32 82.55 1.29E-04 20 3.31E-09 1.25E-09 4.42E-08 03/08/97 Yes Yes 812 172 1060 C 4 H 6 85 30.35 306.12 51.74 3.17E-04 20 2.46E-08 -3.44E-08 8.64E-08 03/08/97 Yes Yes 812 172 1060 C 4 H 6 90 30.4 294.81 50.76 4.16E-04 20 2.34E-08 -5.18E-08 1.12E-07 03/08/97 Yes Yes 812 172 1060 C 4 H 6 95 30.45 308.01 52.59 4.02E-04 20 3.19E-08 -4.17E-08 1.11E-07 03/08/97 Yes Yes 812 172 1060 C 4 H 6 100 30.5 305.76 40 6.11E-04 20 5.81E-08 -8.24E-08 1.36E-07 03/08/97 Yes Yes 812 172 1060 C 4 H 6 105 30.55 299.02 42.59 5.88E-04 20 4.46E-08 -8.21E-08 1.38E-07 03/08/97 Yes Yes 812 172 1060 C 4 H 6 110 30.6 298.52 51.37 4.01E-04 20 2.53E-08 -4.77E-08 1.09E-07 03/08/97 Yes Yes 812 172 1060 C 4 H 6 115 30.65 291.25 53.87 3.63E-04 20 1.65E-08 -4.33E-08 1.02E-07 03/08/97 Yes Yes 812 172 1060 C 4 H 6 120 30.7 281.68 54.64 3.60E-04 20 8.94E-09 -4.42E-08 1.02E-07 03/08/97 Yes Yes 812 172 1060 C 4 H 6 125 30.75 279.94 53.67 3.52E-04 20 7.63E-09 -4.45E-08 9.82E-08 03/08/97 Yes Yes 812 172 1060 C 4 H 6 130 30.8 287.97 56.05 3.20E-04 20 1.17E-08 -3.69E-08 9.20E-08 03/08/97 Yes Yes 812 172 1060 C 4 H 6 135 30.85 307.66 51.25 3.14E-04 20 2.55E-08 -3.38E-08 8.50E-08 03/08/97 Yes Yes 812 172 1060 C 4 H 6 140 30.9 309.8 41.02 3.59E-04 20 3.67E-08 -4.51E-08 8.16E-08 03/08/97 Yes Yes 812 172 1060 C 4 H 6 145 30.95 302.78 34.39 3.83E-04 20 3.63E-08 -5.77E-08 7.50E-08 03/08/97 Yes Yes 812 172 1060 C 4 H 6 150 31 291.12 39.32 2.58E-04 20 1.52E-08 -4.04E-08 5.66E-08 03/08/97 Yes Yes 812 172 1060 C 4 H 7 0 31 313.36 39.52 1.62E-04 20 1.82E-08 -1.97E-08 3.58E-08 03/08/97 Yes Yes 814 172 1060 C 4 H 7 5 31.05 307.11 34.96 3.82E-04 20 4.00E-08 -5.41E-08 7.58E-08 03/08/97 Yes Yes 814 172 1060 C 4 H 7 10 31.1 313.12 31.72 4.20E-04 20 5.18E-08 -5.66E-08 7.66E-08 03/08/97 Yes Yes 814 172 1060 C 4 H 7 15 31.15 313.14 31.18 4.10E-04 20 5.09E-08 -5.55E-08 7.36E-08 03/08/97 Yes Yes 814 172 1060 C 4 H 7 20 31.2 313.19 35.65 3.22E-04 20 3.80E-08 -4.13E-08 6.50E-08 03/08/97 Yes Yes 814 172 1060 C 4 H 7 25 31.25 314.67 33.11 3.31E-04 20 4.13E-08 -4.28E-08 6.27E-08 03/08/97 Yes Yes 814 172 1060 C 4 H 7 30 31.3 318.56 29.47 3.84E-04 20 5.31E-08 -4.79E-08 6.54E-08 03/08/97 Yes Yes 814 172 1060 C 4 H 7 35 31.35 324.57 29.48 4.14E-04 20 6.23E-08 -4.53E-08 7.07E-08 03/08/97 Yes Yes 814 172 1060 C 4 H 7 40 31.4 325.36 37.09 4.71E-04 20 6.56E-08 -4.64E-08 9.86E-08 03/08/97 Yes Yes 814 172 1060 C 4 H 7 45 31.45 308.42 43.73 4.66E-04 20 4.44E-08 -5.73E-08 1.12E-07 03/08/97 Yes Yes 814 172 1060 C 4 H 7 50 31.5 301.23 38.48 4.95E-04 20 4.26E-08 -7.19E-08 1.07E-07 03/08/97 Yes Yes 814 172 1060 C 4 H 7 55 31.55 310.78 41.72 5.32E-04 20 5.51E-08 -6.53E-08 1.23E-07 03/08/97 Yes Yes 814 172 1060 C 5 H 1 0 31.5 92.39 -18.03 3.59E-04 20 -3.02E-09 7.40E-08 -3.85E-08 03/08/97 Yes Yes 816 172 1060 C 5 H 1 5 31.55 78.84 -9.91 1.30E-04 20 5.27E-09 2.73E-08 -7.78E-09 03/08/97 Yes Yes 816 172 1060 C 5 H 1 10 31.6 309.4 61.27 2.14E-04 20 1.39E-08 -1.73E-08 6.52E-08 03/08/97 Yes Yes 816 172 1060 C 5 H 1 15 31.65 344.28 31.83 1.02E-03 20 1.77E-07 -5.10E-08 1.87E-07 03/08/97 Yes Yes 816 172 1060 C 5 H 1 20 31.7 34.41 48.35 1.32E-03 20 1.54E-07 1.08E-07 3.43E-07 03/08/97 Yes Yes 816 172 1060 C 5 H 1 25 31.75 83.24 67.75 7.97E-04 20 7.53E-09 6.50E-08 2.56E-07 03/08/97 Yes Yes 816 172 1060 C 5 H 1 30 31.8 110.6 58.52 4.88E-04 20 -1.90E-08 5.18E-08 1.44E-07 03/08/97 Yes Yes 816 172 1060 C 5 H 1 35 31.85 89.87 44.1 4.54E-04 20 1.52E-10 7.07E-08 1.09E-07 03/08/97 Yes Yes 816 172 1060 C 5 H 1 40 31.9 87.4 47.12 4.35E-04 20 2.85E-09 6.41E-08 1.11E-07 03/08/97 Yes Yes 816 172 1060 C 5 H 1 45 31.95 88.71 52.46 3.93E-04 20 1.15E-09 5.19E-08 1.08E-07 03/08/97 Yes Yes 816 172 1060 C 5 H 1 50 32 89.99 52.08 4.18E-04 20 1.29E-11 5.57E-08 1.14E-07 03/08/97 Yes Yes 816 172 1060 C 5 H 1 55 32.05 85.33 46.83 5.48E-04 20 6.47E-09 8.11E-08 1.39E-07 03/08/97 Yes Yes 816 172 1060 C 5 H 1 60 32.1 89.91 46.92 6.58E-04 20 1.52E-10 9.75E-08 1.67E-07 03/08/97 Yes Yes 816 172 1060 C 5 H 1 65 32.15 95.35 47.3 7.06E-04 20 -9.47E-09 1.03E-07 1.80E-07 03/08/97 Yes Yes 816 172 1060 C 5 H 1 70 32.2 93.67 47.37 6.61E-04 20 -6.08E-09 9.69E-08 1.69E-07 03/08/97 Yes Yes 816 172 1060 C 5 H 1 75 32.25 90.54 45.13 6.75E-04 20 -9.49E-10 1.03E-07 1.66E-07 03/08/97 Yes Yes 816 172 1060 C 5 H 1 80 32.3 92.02 44.25 6.15E-04 20 -3.29E-09 9.55E-08 1.49E-07 03/08/97 Yes Yes 816 172 1060 C 5 H 1 85 32.35 93.11 47.51 4.92E-04 20 -3.82E-09 7.20E-08 1.26E-07 03/08/97 Yes Yes 816 172 1060 C 5 H 1 90 32.4 100.93 58.05 3.94E-04 20 -8.39E-09 4.44E-08 1.16E-07 03/08/97 Yes Yes 816 172 1060 C 5 H 1 95 32.45 111.2 54.4 5.03E-04 20 -2.25E-08 5.92E-08 1.42E-07 03/08/97 Yes Yes 816 172 1060 C 5 H 1 100 32.5 102.81 46.47 6.23E-04 20 -2.02E-08 9.07E-08 1.57E-07 03/08/97 Yes Yes 816 172 1060 C 5 H 1 105 32.55 101.41 52.56 5.86E-04 20 -1.49E-08 7.57E-08 1.61E-07 03/08/97 Yes Yes 816 172 1060 C 5 H 1 110 32.6 105.17 57.15 4.40E-04 20 -1.33E-08 5.00E-08 1.28E-07 03/08/97 Yes Yes 816 172 1060 C 5 H 1 115 32.65 92.3 59.8 3.54E-04 20 -1.52E-09 3.86E-08 1.06E-07 03/08/97 Yes Yes 816 172 1060 C 5 H 1 120 32.7 87.85 50.22 3.89E-04 20 1.98E-09 5.39E-08 1.04E-07 03/08/97 Yes Yes 816 172 1060 C 5 H 1 125 32.75 94.47 43.07 4.43E-04 20 -5.36E-09 7.01E-08 1.05E-07 03/08/97 Yes Yes 816 172 1060 C 5 H 1 130 32.8 91.47 45.23 4.52E-04 20 -1.73E-09 6.90E-08 1.11E-07 03/08/97 Yes Yes 816 172 1060 C 5 H 1 135 32.85 94.37 51.49 4.30E-04 20 -4.33E-09 5.79E-08 1.17E-07 03/08/97 Yes Yes 816 172 1060 C 5 H 1 140 32.9 100.92 48.82 3.93E-04 20 -1.04E-08 5.51E-08 1.03E-07 03/08/97 Yes Yes 816 172 1060 C 5 H 1 145 32.95 103.91 41.19 3.44E-04 20 -1.32E-08 5.45E-08 7.86E-08 03/08/97 Yes Yes 816 172 1060 C 5 H 1 150 33 106.12 40.64 2.08E-04 20 -9.29E-09 3.29E-08 4.70E-08 03/08/97 Yes Yes 816 172 1060 C 5 H 2 0 33 76.45 43.14 9.26E-05 20 3.36E-09 1.43E-08 2.20E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 5 33.05 97.35 42.27 1.88E-04 20 -3.77E-09 2.99E-08 4.38E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 10 33.1 96.64 51.75 1.34E-04 20 -2.03E-09 1.78E-08 3.64E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 15 33.15 74.34 43.18 1.84E-04 20 7.67E-09 2.80E-08 4.36E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 20 33.2 80.76 49.43 1.74E-04 20 3.87E-09 2.43E-08 4.60E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 25 33.25 75.44 48.04 2.26E-04 20 8.05E-09 3.17E-08 5.82E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 30 33.3 80.51 52.53 2.11E-04 20 4.48E-09 2.74E-08 5.80E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 35 33.35 70.55 53.95 2.05E-04 20 8.53E-09 2.47E-08 5.75E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 40 33.4 75.06 51.94 2.21E-04 20 7.44E-09 2.85E-08 6.03E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 45 33.45 88.22 53.97 2.29E-04 20 8.88E-10 2.92E-08 6.42E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 50 33.5 95.69 54.49 2.34E-04 20 -2.86E-09 2.93E-08 6.60E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 55 33.55 92.17 52.22 2.24E-04 20 -1.10E-09 2.98E-08 6.14E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 60 33.6 75.13 52.23 2.23E-04 20 7.44E-09 2.86E-08 6.11E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 65 33.65 81.12 54.95 2.68E-04 20 5.03E-09 3.30E-08 7.60E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 70 33.7 93.84 63.32 2.84E-04 20 -1.81E-09 2.76E-08 8.81E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 75 33.75 97.82 63.74 2.79E-04 20 -3.57E-09 2.65E-08 8.68E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 80 33.8 90.12 61.21 2.88E-04 20 -6.26E-11 3.00E-08 8.74E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 85 33.85 93.56 62.1 2.87E-04 20 -1.77E-09 2.90E-08 8.78E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 90 33.9 56.62 60.92 3.13E-04 20 1.77E-08 2.76E-08 9.48E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 95 33.95 36.69 70.93 2.85E-04 20 1.59E-08 1.21E-08 9.35E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 100 34 103.85 56.02 2.93E-04 20 -8.31E-09 3.45E-08 8.42E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 105 34.05 100.27 53.37 2.91E-04 20 -6.58E-09 3.71E-08 8.11E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 110 34.1 93.13 51.13 2.98E-04 20 -2.16E-09 4.05E-08 8.04E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 115 34.15 93 49.09 3.10E-04 20 -2.26E-09 4.40E-08 8.13E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 120 34.2 83.42 50.99 2.75E-04 20 4.20E-09 3.72E-08 7.40E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 125 34.25 76.65 53.38 2.23E-04 20 6.52E-09 2.81E-08 6.22E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 130 34.3 81.52 52.42 1.83E-04 20 3.49E-09 2.39E-08 5.03E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 135 34.35 76.03 60.86 1.39E-04 20 3.46E-09 1.42E-08 4.20E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 140 34.4 75.68 47.57 1.57E-04 20 5.56E-09 2.23E-08 4.02E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 145 34.45 81.97 42.63 1.52E-04 20 3.30E-09 2.40E-08 3.56E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 2 150 34.5 83.06 48.91 7.71E-05 20 1.30E-09 1.09E-08 2.02E-08 03/08/97 Yes Yes 818 172 1060 C 5 H 3 0 34.5 36.25 62.72 7.12E-05 20 5.58E-09 4.19E-09 2.19E-08 03/08/97 Yes Yes 820 172 1060 C 5 H 3 5 34.55 92.94 46.18 1.97E-04 20 -1.48E-09 2.95E-08 4.92E-08 03/08/97 Yes Yes 820 172 1060 C 5 H 3 10 34.6 99.21 38.17 2.54E-04 20 -6.78E-09 4.28E-08 5.45E-08 03/08/97 Yes Yes 820 172 1060 C 5 H 3 15 34.65 96.32 41.72 2.33E-04 20 -4.07E-09 3.76E-08 5.39E-08 03/08/97 Yes Yes 820 172 1060 C 5 H 3 20 34.7 95.55 48.87 2.31E-04 20 -3.12E-09 3.28E-08 6.04E-08 03/08/97 Yes Yes 820 172 1060 C 5 H 3 25 34.75 99.23 51.21 2.53E-04 20 -5.40E-09 3.39E-08 6.84E-08 03/08/97 Yes Yes 820 172 1060 C 5 H 3 30 34.8 99.03 49 3.01E-04 20 -6.57E-09 4.23E-08 7.87E-08 03/08/97 Yes Yes 820 172 1060 C 5 H 3 35 34.85 114.31 50.22 3.11E-04 20 -1.74E-08 3.94E-08 8.30E-08 03/08/97 Yes Yes 820 172 1060 C 5 H 3 40 34.9 111.81 47.16 3.10E-04 20 -1.66E-08 4.24E-08 7.88E-08 03/08/97 Yes Yes 820 172 1060 C 5 H 3 45 34.95 101.27 43.67 3.76E-04 20 -1.13E-08 5.79E-08 9.00E-08 03/08/97 Yes Yes 820 172 1060 C 5 H 3 50 35 92.59 43.93 4.01E-04 20 -2.77E-09 6.27E-08 9.66E-08 03/08/97 Yes Yes 820 172 1060 C 5 H 3 55 35.05 84.19 42.74 4.43E-04 20 6.99E-09 7.02E-08 1.04E-07 03/08/97 Yes Yes 820 172 1060 C 5 H 3 60 35.1 93.91 46.64 3.96E-04 20 -3.93E-09 5.88E-08 9.99E-08 03/08/97 Yes Yes 820 172 1060 C 5 H 3 65 35.15 94.37 45.59 3.08E-04 20 -3.49E-09 4.67E-08 7.64E-08 03/08/97 Yes Yes 820 172 1060 C 5 H 3 70 35.2 88.84 45.35 2.83E-04 20 8.56E-10 4.32E-08 6.99E-08 03/08/97 Yes Yes 820 172 1060 C 5 H 3 75 35.25 87.13 49.92 2.74E-04 20 1.88E-09 3.83E-08 7.28E-08 03/08/97 Yes Yes 820 172 1060 C 5 H 3 80 35.3 85.53 53.04 2.52E-04 20 2.50E-09 3.28E-08 6.98E-08 03/08/97 Yes Yes 820 172 1060 C 5 H 3 85 35.35 87.41 52.76 1.92E-04 20 1.11E-09 2.52E-08 5.29E-08 03/08/97 Yes Yes 820 172 1060 C 5 H 3 90 35.4 83.02 59.16 1.42E-04 20 1.88E-09 1.57E-08 4.22E-08 03/08/97 Yes Yes 820 172 1060 C 5 H 3 95 35.45 64.76 64.16 1.71E-04 20 6.76E-09 1.47E-08 5.35E-08 03/08/97 Yes Yes 820 172 1060 C 5 H 3 100 35.5 85.86 42.9 2.84E-04 20 3.19E-09 4.50E-08 6.70E-08 03/08/97 Yes Yes 820 172 1060 C 5 H 3 105 35.55 90.15 42.02 3.62E-04 20 -1.47E-10 5.83E-08 8.39E-08 03/08/97 Yes Yes 820 172 1060 C 5 H 3 110 35.6 92.49 50.64 3.30E-04 20 -1.93E-09 4.53E-08 8.84E-08 03/08/97 Yes Yes 820 172 1060 C 5 H 3 115 35.65 92.58 56.41 2.73E-04 20 -1.44E-09 3.27E-08 7.88E-08 03/08/97 Yes Yes 820 172 1060 C 5 H 3 120 35.7 90.27 55.54 2.32E-04 20 -1.33E-10 2.85E-08 6.63E-08 03/08/97 Yes Yes 820 172 1060 C 5 H 3 125 35.75 95.68 54.87 2.06E-04 20 -2.49E-09 2.56E-08 5.84E-08 03/08/97 Yes Yes 820 172 1060 C 5 H 3 130 35.8 101.49 57.7 2.26E-04 20 -5.10E-09 2.57E-08 6.63E-08 03/08/97 Yes Yes 820 172 1060 C 5 H 3 135 35.85 91.15 60.53 2.18E-04 20 -4.55E-10 2.33E-08 6.59E-08 03/08/97 Yes Yes 820 172 1060 C 5 H 3 140 35.9 339.83 29.47 2.20E-04 20 3.81E-08 -1.43E-08 3.75E-08 03/08/97 Yes Yes 820 172 1060 C 5 H 3 145 35.95 344.43 7.77 6.91E-04 20 1.40E-07 -3.99E-08 3.24E-08 03/08/97 Yes Yes 820 172 1060 C 5 H 3 150 36 358.94 28.07 6.69E-04 20 1.25E-07 -2.37E-09 1.09E-07 03/08/97 Yes Yes 820 172 1060 C 5 H 3 0 34.5 355.81 19.99 5.44E-04 20 1.08E-07 -8.11E-09 6.45E-08 03/08/97 Yes Yes 822 172 1060 C 5 H 3 5 34.55 14.28 54.49 6.80E-04 20 8.12E-08 2.11E-08 1.92E-07 03/08/97 Yes Yes 822 172 1060 C 5 H 3 10 34.6 93.31 68.34 4.16E-04 20 -1.88E-09 3.32E-08 1.34E-07 03/08/97 Yes Yes 822 172 1060 C 5 H 3 15 34.65 329 47.88 3.47E-04 20 4.24E-08 -2.60E-08 8.93E-08 03/08/97 Yes Yes 822 172 1060 C 5 H 3 20 34.7 32.64 65.19 3.52E-04 20 2.64E-08 1.73E-08 1.11E-07 03/08/97 Yes Yes 822 172 1060 C 5 H 3 25 34.75 93.68 45.92 4.73E-04 20 -4.48E-09 7.12E-08 1.18E-07 03/08/97 Yes Yes 822 172 1060 C 5 H 3 30 34.8 102.11 59.55 3.34E-04 20 -7.53E-09 3.59E-08 9.97E-08 03/08/97 Yes Yes 822 172 1060 C 5 H 3 35 34.85 90.74 67.95 4.24E-04 20 -4.33E-10 3.45E-08 1.36E-07 03/08/97 Yes Yes 822 172 1060 C 5 H 3 40 34.9 112.21 57.58 6.68E-04 20 -2.87E-08 7.19E-08 1.95E-07 03/08/97 Yes Yes 822 172 1060 C 5 H 3 45 34.95 109.45 53.72 7.46E-04 20 -3.12E-08 9.02E-08 2.08E-07 03/08/97 Yes Yes 822 172 1060 C 5 H 3 50 35 114.16 47.11 8.31E-04 20 -4.91E-08 1.12E-07 2.11E-07 03/08/97 Yes Yes 822 172 1060 C 5 H 3 55 35.05 111.46 39.93 7.05E-04 20 -4.20E-08 1.09E-07 1.57E-07 03/08/97 Yes Yes 822 172 1060 C 5 H 3 60 35.1 89.73 44 4.81E-04 20 3.40E-10 7.50E-08 1.16E-07 03/08/97 Yes Yes 822 172 1060 C 5 H 3 65 35.15 62.08 53.5 5.20E-04 20 3.07E-08 5.93E-08 1.45E-07 03/08/97 Yes Yes 822 172 1060 C 5 H 3 70 35.2 80.25 54.53 6.03E-04 20 1.26E-08 7.48E-08 1.70E-07 03/08/97 Yes Yes 822 172 1060 C 5 H 3 75 35.25 101.94 52.03 5.55E-04 20 -1.50E-08 7.25E-08 1.52E-07 03/08/97 Yes Yes 822 172 1060 C 5 H 3 80 35.3 128.43 60.65 4.04E-04 20 -2.61E-08 3.37E-08 1.22E-07 03/08/97 Yes Yes 822 172 1060 C 5 H 3 85 35.35 116.44 69.22 3.82E-04 20 -1.28E-08 2.63E-08 1.24E-07 03/08/97 Yes Yes 822 172 1060 C 5 H 3 90 35.4 114.97 60.05 4.77E-04 20 -2.13E-08 4.69E-08 1.43E-07 03/08/97 Yes Yes 822 172 1060 C 5 H 3 95 35.45 124.29 58.11 5.56E-04 20 -3.51E-08 5.26E-08 1.64E-07 03/08/97 Yes Yes 822 172 1060 C 5 H 3 100 35.5 114.94 49.66 6.79E-04 20 -3.93E-08 8.64E-08 1.79E-07 03/08/97 Yes Yes 822 172 1060 C 5 H 3 105 35.55 112.22 43.71 9.74E-04 20 -5.65E-08 1.41E-07 2.33E-07 03/08/97 Yes Yes 822 172 1060 C 5 H 3 110 35.6 112.1 40.11 1.49E-03 20 -9.10E-08 2.29E-07 3.33E-07 03/08/97 Yes Yes 822 172 1060 C 5 H 3 115 35.65 112.95 49.66 1.18E-03 20 -6.30E-08 1.52E-07 3.11E-07 03/08/97 Yes Yes 822 172 1060 C 5 H 3 120 35.7 86.35 64.71 8.25E-04 20 4.76E-09 7.63E-08 2.59E-07 03/08/97 Yes Yes 822 172 1060 C 5 H 3 125 35.75 89.43 55.01 1.01E-03 20 1.21E-09 1.25E-07 2.87E-07 03/08/97 Yes Yes 822 172 1060 C 5 H 3 130 35.8 89.2 53.13 1.25E-03 20 2.21E-09 1.62E-07 3.46E-07 03/08/97 Yes Yes 822 172 1060 C 5 H 3 135 35.85 92.56 49.45 1.36E-03 20 -8.36E-09 1.91E-07 3.57E-07 03/08/97 Yes Yes 822 172 1060 C 5 H 3 140 35.9 103 53.42 1.26E-03 20 -3.59E-08 1.59E-07 3.51E-07 03/08/97 Yes Yes 822 172 1060 C 5 H 3 145 35.95 107.54 48.89 1.38E-03 20 -5.81E-08 1.88E-07 3.61E-07 03/08/97 Yes Yes 822 172 1060 C 5 H 3 150 36 118.39 45.67 9.13E-04 20 -6.44E-08 1.22E-07 2.26E-07 03/08/97 Yes Yes 822 172 1060 C 5 H 5 0 37.5 11.47 0.1 4.74E-02 20 9.85E-06 2.04E-06 2.87E-08 03/08/97 Yes Yes 824 172 1060 C 5 H 5 5 37.55 15.96 6.68 1.37E-02 20 2.77E-06 8.09E-07 5.51E-07 03/08/97 Yes Yes 824 172 1060 C 5 H 5 10 37.6 185.79 9.54 6.56E-03 20 -1.37E-06 -1.42E-07 3.77E-07 03/08/97 Yes Yes 824 172 1060 C 5 H 5 15 37.65 190.22 23.13 3.88E-03 20 -7.44E-07 -1.37E-07 5.28E-07 03/08/97 Yes Yes 824 172 1060 C 5 H 5 20 37.7 33.98 27.22 9.08E-03 20 1.42E-06 9.78E-07 1.44E-06 03/08/97 Yes Yes 824 172 1060 C 5 H 5 25 37.75 34.59 25.39 3.00E-02 20 4.74E-06 3.34E-06 4.47E-06 03/08/97 Yes Yes 824 172 1060 C 5 H 5 30 37.8 23.13 84.46 1.20E-02 20 2.25E-07 9.84E-08 4.13E-06 03/08/97 Yes Yes 824 172 1060 C 5 H 5 35 37.85 6.4 69.2 8.39E-03 20 6.28E-07 7.20E-08 2.72E-06 03/08/97 Yes Yes 824 172 1060 C 5 H 5 40 37.9 115.76 78.34 7.72E-03 20 -1.44E-07 3.05E-07 2.62E-06 03/08/97 Yes Yes 824 172 1060 C 5 H 5 45 37.95 154.23 48.58 3.95E-03 20 -4.99E-07 2.46E-07 1.03E-06 03/08/97 Yes Yes 824 172 1060 C 5 H 5 50 38 100.4 70.68 3.15E-03 20 -3.99E-08 2.22E-07 1.03E-06 03/08/97 Yes Yes 824 172 1060 C 5 H 5 55 38.05 28.07 80.33 6.91E-03 20 2.17E-07 1.18E-07 2.36E-06 03/08/97 Yes Yes 824 172 1060 C 5 H 5 60 38.1 107.37 56.19 7.33E-03 20 -2.58E-07 8.44E-07 2.11E-06 03/08/97 Yes Yes 824 172 1060 C 5 H 5 65 38.15 109.65 51.99 3.88E-03 20 -1.71E-07 4.88E-07 1.06E-06 03/08/97 Yes Yes 824 172 1060 C 5 H 5 70 38.2 103.1 47.21 3.47E-03 20 -1.13E-07 4.98E-07 8.83E-07 03/08/97 Yes Yes 824 172 1060 C 5 H 5 75 38.25 111.37 45.24 3.08E-03 20 -1.68E-07 4.38E-07 7.58E-07 03/08/97 Yes Yes 824 172 1060 C 5 H 5 80 38.3 123.53 54.81 1.80E-03 20 -1.22E-07 1.88E-07 5.10E-07 03/08/97 Yes Yes 824 172 1060 C 5 H 5 85 38.35 100.06 58.16 1.65E-03 20 -3.23E-08 1.86E-07 4.86E-07 03/08/97 Yes Yes 824 172 1060 C 5 H 5 90 38.4 97.28 49.37 2.13E-03 20 -3.72E-08 2.98E-07 5.59E-07 03/08/97 Yes Yes 824 172 1060 C 5 H 5 95 38.45 99.68 48.76 2.38E-03 20 -5.60E-08 3.36E-07 6.21E-07 03/08/97 Yes Yes 824 172 1060 C 5 H 5 100 38.5 100.46 52.75 2.60E-03 20 -6.06E-08 3.35E-07 7.17E-07 03/08/97 Yes Yes 824 172 1060 C 5 H 5 105 38.55 98.08 52.48 2.80E-03 20 -5.09E-08 3.67E-07 7.71E-07 03/08/97 Yes Yes 824 172 1060 C 5 H 5 110 38.6 96.37 53.62 2.87E-03 20 -4.01E-08 3.67E-07 8.01E-07 03/08/97 Yes Yes 824 172 1060 C 5 H 5 115 38.65 83.63 53.01 2.96E-03 20 4.19E-08 3.84E-07 8.20E-07 03/08/97 Yes Yes 824 172 1060 C 5 H 5 120 38.7 103.48 60.24 3.14E-03 20 -7.70E-08 3.29E-07 9.44E-07 03/08/97 Yes Yes 824 172 1060 C 5 H 5 125 38.75 128.53 58.68 3.39E-03 20 -2.33E-07 2.99E-07 1.00E-06 03/08/97 Yes Yes 824 172 1060 C 5 H 5 130 38.8 125.15 52.73 4.75E-03 20 -3.51E-07 5.10E-07 1.31E-06 03/08/97 Yes Yes 824 172 1060 C 5 H 5 135 38.85 120.75 51.89 6.11E-03 20 -4.09E-07 7.03E-07 1.67E-06 03/08/97 Yes Yes 824 172 1060 C 5 H 5 140 38.9 114.68 47.81 7.52E-03 20 -4.47E-07 9.95E-07 1.93E-06 03/08/97 Yes Yes 824 172 1060 C 5 H 5 145 38.95 115.42 44.77 6.80E-03 20 -4.40E-07 9.46E-07 1.66E-06 03/08/97 Yes Yes 824 172 1060 C 5 H 5 150 39 125.77 47.18 3.42E-03 20 -2.88E-07 4.09E-07 8.69E-07 03/08/97 Yes Yes 824 172 1060 C 5 H 6 0 39 85.57 63.37 2.19E-03 20 1.61E-08 2.12E-07 6.79E-07 03/08/97 Yes Yes 826 172 1060 C 5 H 6 5 39.05 96.34 46.54 6.47E-03 20 -1.04E-07 9.59E-07 1.63E-06 03/08/97 Yes Yes 826 172 1060 C 5 H 6 10 39.1 95.48 48.59 8.03E-03 20 -1.08E-07 1.15E-06 2.09E-06 03/08/97 Yes Yes 826 172 1060 C 5 H 6 15 39.15 95.42 48.96 8.16E-03 20 -1.07E-07 1.16E-06 2.13E-06 03/08/97 Yes Yes 826 172 1060 C 5 H 6 20 39.2 90.57 48.16 8.07E-03 20 -1.14E-08 1.17E-06 2.08E-06 03/08/97 Yes Yes 826 172 1060 C 5 H 6 25 39.25 80.75 52.27 6.77E-03 20 1.41E-07 8.86E-07 1.86E-06 03/08/97 Yes Yes 826 172 1060 C 5 H 6 30 39.3 77.88 52.14 5.69E-03 20 1.55E-07 7.40E-07 1.56E-06 03/08/97 Yes Yes 826 172 1060 C 5 H 6 35 39.35 88.78 53.69 3.38E-03 20 9.05E-09 4.34E-07 9.44E-07 03/08/97 Yes Yes 826 172 1060 C 5 H 6 40 39.4 107.28 58.45 2.24E-03 20 -7.38E-08 2.43E-07 6.61E-07 03/08/97 Yes Yes 826 172 1060 C 5 H 6 45 39.45 101.12 43.26 3.69E-03 20 -1.10E-07 5.72E-07 8.77E-07 03/08/97 Yes Yes 826 172 1060 C 5 H 6 50 39.5 102.22 39.39 5.13E-03 20 -1.78E-07 8.41E-07 1.13E-06 03/08/97 Yes Yes 826 172 1060 C 5 H 6 55 39.55 103.95 39.11 5.80E-03 20 -2.30E-07 9.48E-07 1.27E-06 03/08/97 Yes Yes 826 172 1060 C 5 H 6 60 39.6 103.38 40.07 5.64E-03 20 -2.12E-07 9.10E-07 1.26E-06 03/08/97 Yes Yes 826 172 1060 C 5 H 6 65 39.65 108.6 42.23 4.37E-03 20 -2.19E-07 6.65E-07 1.02E-06 03/08/97 Yes Yes 826 172 1060 C 5 H 6 70 39.7 97.58 43.56 3.83E-03 20 -7.76E-08 5.97E-07 9.15E-07 03/08/97 Yes Yes 826 172 1060 C 5 H 6 75 39.75 87.1 29.78 5.98E-03 20 5.56E-08 1.12E-06 1.03E-06 03/08/97 Yes Yes 826 172 1060 C 5 H 6 80 39.8 87.5 24.7 7.25E-03 20 6.11E-08 1.43E-06 1.05E-06 03/08/97 Yes Yes 826 172 1060 C 5 H 6 85 39.85 88.99 23.79 8.16E-03 20 2.80E-08 1.62E-06 1.14E-06 03/08/97 Yes Yes 826 172 1060 C 5 H 6 90 39.9 91.55 24.99 8.41E-03 20 -4.37E-08 1.65E-06 1.23E-06 03/08/97 Yes Yes 826 172 1060 C 5 H 6 95 39.95 92.41 30.24 6.71E-03 20 -5.18E-08 1.26E-06 1.17E-06 03/08/97 Yes Yes 826 172 1060 C 5 H 6 100 40 89.57 24.58 7.61E-03 20 1.09E-08 1.50E-06 1.10E-06 03/08/97 Yes Yes 826 172 1060 C 5 H 6 105 40.05 92.16 20.44 6.93E-03 20 -5.19E-08 1.41E-06 8.39E-07 03/08/97 Yes Yes 826 172 1060 C 5 H 6 110 40.1 100.69 17.16 5.01E-03 20 -1.88E-07 1.02E-06 5.12E-07 03/08/97 Yes Yes 826 172 1060 C 5 H 6 115 40.15 102.75 16.38 4.98E-03 20 -2.24E-07 1.01E-06 4.87E-07 03/08/97 Yes Yes 826 172 1060 C 5 H 6 120 40.2 109.86 17.79 4.83E-03 20 -3.32E-07 9.39E-07 5.12E-07 03/08/97 Yes Yes 826 172 1060 C 5 H 6 125 40.25 114.33 18.99 4.49E-03 20 -3.71E-07 8.39E-07 5.07E-07 03/08/97 Yes Yes 826 172 1060 C 5 H 6 130 40.3 113.16 30.5 3.35E-03 20 -2.41E-07 5.75E-07 5.89E-07 03/08/97 Yes Yes 826 172 1060 C 5 H 6 135 40.35 110.48 50.12 2.64E-03 20 -1.26E-07 3.45E-07 7.04E-07 03/08/97 Yes Yes 826 172 1060 C 5 H 6 140 40.4 112.58 37.64 4.97E-03 20 -3.21E-07 7.88E-07 1.05E-06 03/08/97 Yes Yes 826 172 1060 C 5 H 6 145 40.45 113.41 33.65 7.97E-03 20 -5.59E-07 1.32E-06 1.53E-06 03/08/97 Yes Yes 826 172 1060 C 5 H 6 150 40.5 118.09 41.38 4.82E-03 20 -3.62E-07 6.93E-07 1.11E-06 03/08/97 Yes Yes 826 172 1060 C 5 H 7 0 40.5 59.78 66.67 2.39E-03 20 1.01E-07 1.77E-07 7.60E-07 03/08/97 Yes Yes 828 172 1060 C 5 H 7 5 40.55 93.34 55.76 5.50E-03 20 -3.83E-08 6.71E-07 1.58E-06 03/08/97 Yes Yes 828 172 1060 C 5 H 7 10 40.6 101 49.02 7.41E-03 20 -1.97E-07 1.04E-06 1.94E-06 03/08/97 Yes Yes 828 172 1060 C 5 H 7 15 40.65 103.74 46.93 8.71E-03 20 -3.00E-07 1.25E-06 2.21E-06 03/08/97 Yes Yes 828 172 1060 C 5 H 7 20 40.7 106.96 48.18 1.01E-02 20 -4.16E-07 1.39E-06 2.61E-06 03/08/97 Yes Yes 828 172 1060 C 5 H 7 25 40.75 111.49 49.28 1.01E-02 20 -5.14E-07 1.34E-06 2.66E-06 03/08/97 Yes Yes 828 172 1060 C 5 H 7 30 40.8 110.46 48 1.01E-02 20 -5.03E-07 1.38E-06 2.61E-06 03/08/97 Yes Yes 828 172 1060 C 5 H 7 35 40.85 107.51 48.14 9.28E-03 20 -3.95E-07 1.28E-06 2.40E-06 03/08/97 Yes Yes 828 172 1060 C 5 H 7 40 40.9 104.43 50.84 9.99E-03 20 -3.33E-07 1.33E-06 2.69E-06 03/08/97 Yes Yes 828 172 1060 C 5 H 7 45 40.95 118.22 44.49 1.21E-02 20 -8.63E-07 1.64E-06 2.93E-06 03/08/97 Yes Yes 828 172 1060 C 5 H 7 50 41 114.7 38.11 1.14E-02 20 -7.97E-07 1.77E-06 2.44E-06 03/08/97 Yes Yes 828 172 1060 C 5 H 7 55 41.05 105.5 34.93 8.00E-03 20 -3.72E-07 1.37E-06 1.59E-06 03/08/97 Yes Yes 828 172 1060 C 6 H 1 0 41 304.76 28.87 1.33E-03 20 1.40E-07 -2.07E-07 2.22E-07 03/08/97 Yes Yes 830 172 1060 C 6 H 1 5 41.05 2.31 52.58 2.37E-03 20 3.06E-07 1.26E-08 6.54E-07 03/08/97 Yes Yes 830 172 1060 C 6 H 1 10 41.1 45.63 47.83 3.73E-03 20 3.72E-07 3.88E-07 9.59E-07 03/08/97 Yes Yes 830 172 1060 C 6 H 1 15 41.15 49.38 48.42 4.38E-03 20 4.02E-07 4.79E-07 1.14E-06 03/08/97 Yes Yes 830 172 1060 C 6 H 1 20 41.2 50.8 44.17 5.51E-03 20 5.30E-07 6.65E-07 1.33E-06 03/08/97 Yes Yes 830 172 1060 C 6 H 1 25 41.25 54.3 44.18 5.91E-03 20 5.24E-07 7.46E-07 1.43E-06 03/08/97 Yes Yes 830 172 1060 C 6 H 1 30 41.3 56.34 48.86 5.33E-03 20 4.12E-07 6.33E-07 1.39E-06 03/08/97 Yes Yes 830 172 1060 C 6 H 1 35 41.35 59.25 47.79 5.56E-03 20 4.05E-07 6.96E-07 1.43E-06 03/08/97 Yes Yes 830 172 1060 C 6 H 1 40 41.4 56.37 51.61 5.69E-03 20 4.15E-07 6.38E-07 1.55E-06 03/08/97 Yes Yes 830 172 1060 C 6 H 1 45 41.45 50.07 55.15 6.08E-03 20 4.73E-07 5.78E-07 1.73E-06 03/08/97 Yes Yes 830 172 1060 C 6 H 1 50 41.5 52.81 59.04 6.09E-03 20 4.02E-07 5.41E-07 1.81E-06 03/08/97 Yes Yes 830 172 1060 C 6 H 1 55 41.55 52.4 58.44 5.37E-03 20 3.64E-07 4.83E-07 1.59E-06 03/08/97 Yes Yes 830 172 1060 C 6 H 1 60 41.6 51.38 48.35 5.46E-03 20 4.80E-07 6.15E-07 1.41E-06 03/08/97 Yes Yes 830 172 1060 C 6 H 1 65 41.65 53.84 40.45 5.76E-03 20 5.49E-07 7.68E-07 1.30E-06 03/08/97 Yes Yes 830 172 1060 C 6 H 1 70 41.7 56.18 39.34 5.39E-03 20 4.92E-07 7.51E-07 1.18E-06 03/08/97 Yes Yes 830 172 1060 C 6 H 1 75 41.75 50.71 32.02 6.26E-03 20 7.12E-07 8.90E-07 1.15E-06 03/08/97 Yes Yes 830 172 1060 C 6 H 1 80 41.8 50.27 27.48 7.77E-03 20 9.34E-07 1.15E-06 1.24E-06 03/08/97 Yes Yes 830 172 1060 C 6 H 1 85 41.85 47.91 30.29 7.39E-03 20 9.07E-07 1.03E-06 1.29E-06 03/08/97 Yes Yes 830 172 1060 C 6 H 1 90 41.9 46.85 36.62 6.54E-03 20 7.62E-07 8.31E-07 1.35E-06 03/08/97 Yes Yes 830 172 1060 C 6 H 1 95 41.95 47.49 42.11 6.02E-03 20 6.40E-07 7.14E-07 1.40E-06 03/08/97 Yes Yes 830 172 1060 C 6 H 1 100 42 52.31 41.7 6.01E-03 20 5.82E-07 7.70E-07 1.39E-06 03/08/97 Yes Yes 830 172 1060 C 6 H 1 105 42.05 57.9 39.22 6.78E-03 20 5.92E-07 9.65E-07 1.49E-06 03/08/97 Yes Yes 830 172 1060 C 6 H 1 110 42.1 58.88 43.71 8.32E-03 20 6.60E-07 1.12E-06 1.99E-06 03/08/97 Yes Yes 830 172 1060 C 6 H 1 115 42.15 54.89 48.16 8.28E-03 20 6.74E-07 9.80E-07 2.14E-06 03/08/97 Yes Yes 830 172 1060 C 6 H 1 120 42.2 44.08 49.13 6.78E-03 20 6.76E-07 6.69E-07 1.78E-06 03/08/97 Yes Yes 830 172 1060 C 6 H 1 125 42.25 38.61 47.57 5.66E-03 20 6.33E-07 5.17E-07 1.45E-06 03/08/97 Yes Yes 830 172 1060 C 6 H 1 130 42.3 41.84 44.83 5.53E-03 20 6.20E-07 5.68E-07 1.35E-06 03/08/97 Yes Yes 830 172 1060 C 6 H 1 135 42.35 42.09 46.4 5.13E-03 20 5.57E-07 5.14E-07 1.29E-06 03/08/97 Yes Yes 830 172 1060 C 6 H 1 140 42.4 30.08 39.13 5.48E-03 20 7.81E-07 4.62E-07 1.20E-06 03/08/97 Yes Yes 830 172 1060 C 6 H 1 145 42.45 30.14 32.15 6.35E-03 20 9.86E-07 5.86E-07 1.17E-06 03/08/97 Yes Yes 830 172 1060 C 6 H 1 150 42.5 43.59 41.46 3.15E-03 20 3.63E-07 3.53E-07 7.23E-07 03/08/97 Yes Yes 830 172 1060 C 6 H 2 0 42.5 15.65 22.34 1.93E-03 20 3.64E-07 1.04E-07 2.54E-07 03/08/97 Yes Yes 832 172 1060 C 6 H 2 5 42.55 25.57 20.37 6.32E-03 20 1.13E-06 5.55E-07 7.63E-07 03/08/97 Yes Yes 832 172 1060 C 6 H 2 10 42.6 30.12 27.47 6.94E-03 20 1.13E-06 6.70E-07 1.11E-06 03/08/97 Yes Yes 832 172 1060 C 6 H 2 15 42.65 35.52 33.14 6.93E-03 20 1.00E-06 7.31E-07 1.31E-06 03/08/97 Yes Yes 832 172 1060 C 6 H 2 20 42.7 40.25 36.49 7.98E-03 20 1.04E-06 8.99E-07 1.65E-06 03/08/97 Yes Yes 832 172 1060 C 6 H 2 25 42.75 38.28 43.55 6.92E-03 20 8.35E-07 6.74E-07 1.65E-06 03/08/97 Yes Yes 832 172 1060 C 6 H 2 30 42.8 36.52 47.93 6.17E-03 20 7.05E-07 5.34E-07 1.59E-06 03/08/97 Yes Yes 832 172 1060 C 6 H 2 35 42.85 44.95 58.46 4.79E-03 20 3.76E-07 3.84E-07 1.41E-06 03/08/97 Yes Yes 832 172 1060 C 6 H 2 40 42.9 28.08 50.24 4.98E-03 20 5.96E-07 3.25E-07 1.33E-06 03/08/97 Yes Yes 832 172 1060 C 6 H 2 45 42.95 27.46 44.15 6.03E-03 20 8.14E-07 4.33E-07 1.46E-06 03/08/97 Yes Yes 832 172 1060 C 6 H 2 50 43 34.81 44.15 5.49E-03 20 6.86E-07 4.88E-07 1.33E-06 03/08/97 Yes Yes 832 172 1060 C 6 H 2 55 43.05 41.2 39.65 5.44E-03 20 6.68E-07 5.98E-07 1.20E-06 03/08/97 Yes Yes 832 172 1060 C 6 H 2 60 43.1 42.54 40.17 5.20E-03 20 6.21E-07 5.83E-07 1.16E-06 03/08/97 Yes Yes 832 172 1060 C 6 H 2 65 43.15 48.79 44.84 4.32E-03 20 4.28E-07 5.00E-07 1.06E-06 03/08/97 Yes Yes 832 172 1060 C 6 H 2 70 43.2 50.21 52.94 2.84E-03 20 2.32E-07 2.85E-07 7.85E-07 03/08/97 Yes Yes 832 172 1060 C 6 H 2 75 43.25 47.83 61.27 1.71E-03 20 1.17E-07 1.32E-07 5.20E-07 03/08/97 Yes Yes 832 172 1060 C 6 H 2 80 43.3 32.14 63.31 1.50E-03 20 1.21E-07 7.76E-08 4.64E-07 03/08/97 Yes Yes 832 172 1060 C 6 H 2 85 43.35 32.27 44.04 2.93E-03 20 3.77E-07 2.44E-07 7.05E-07 03/08/97 Yes Yes 832 172 1060 C 6 H 2 90 43.4 41.17 38.27 5.49E-03 20 6.88E-07 6.15E-07 1.18E-06 03/08/97 Yes Yes 832 172 1060 C 6 H 2 95 43.45 59.3 50.21 3.31E-03 20 2.30E-07 3.95E-07 8.83E-07 03/08/97 Yes Yes 832 172 1060 C 6 H 2 100 43.5 48.9 71.56 1.52E-03 20 6.73E-08 7.89E-08 5.02E-07 03/08/97 Yes Yes 832 172 1060 C 6 H 2 105 43.55 49.43 55.24 1.81E-03 20 1.42E-07 1.70E-07 5.16E-07 03/08/97 Yes Yes 832 172 1060 C 6 H 2 110 43.6 45.92 50.79 2.19E-03 20 2.04E-07 2.15E-07 5.87E-07 03/08/97 Yes Yes 832 172 1060 C 6 H 2 115 43.65 47.78 39.24 3.07E-03 20 3.39E-07 3.82E-07 6.73E-07 03/08/97 Yes Yes 832 172 1060 C 6 H 2 120 43.7 54.44 42.13 3.05E-03 20 2.79E-07 3.99E-07 7.09E-07 03/08/97 Yes Yes 832 172 1060 C 6 H 2 125 43.75 40.92 53.43 2.25E-03 20 2.15E-07 1.91E-07 6.27E-07 03/08/97 Yes Yes 832 172 1060 C 6 H 2 130 43.8 22.42 38.65 3.35E-03 20 5.12E-07 2.16E-07 7.25E-07 03/08/97 Yes Yes 832 172 1060 C 6 H 2 135 43.85 42.82 46.75 3.05E-03 20 3.25E-07 3.08E-07 7.70E-07 03/08/97 Yes Yes 832 172 1060 C 6 H 2 140 43.9 39.81 37.15 3.11E-03 20 4.04E-07 3.44E-07 6.51E-07 03/08/97 Yes Yes 832 172 1060 C 6 H 2 145 43.95 47.78 31.28 3.33E-03 20 4.05E-07 4.57E-07 5.99E-07 03/08/97 Yes Yes 832 172 1060 C 6 H 2 150 44 62.79 56.67 1.32E-03 20 7.06E-08 1.40E-07 3.84E-07 03/08/97 Yes Yes 832 172 1060 C 6 H 3 0 44 32.76 39.14 1.47E-03 20 2.03E-07 1.34E-07 3.21E-07 03/08/97 Yes Yes 834 172 1060 C 6 H 3 5 44.05 29.22 45.21 2.88E-03 20 3.75E-07 2.14E-07 7.08E-07 03/08/97 Yes Yes 834 172 1060 C 6 H 3 10 44.1 42.97 52.32 3.14E-03 20 2.97E-07 2.83E-07 8.60E-07 03/08/97 Yes Yes 834 172 1060 C 6 H 3 15 44.15 47.9 44.75 3.64E-03 20 3.68E-07 4.16E-07 8.89E-07 03/08/97 Yes Yes 834 172 1060 C 6 H 3 20 44.2 33.78 37.22 5.68E-03 20 7.98E-07 5.46E-07 1.19E-06 03/08/97 Yes Yes 834 172 1060 C 6 H 3 25 44.25 51.18 44.88 5.72E-03 20 5.39E-07 6.85E-07 1.40E-06 03/08/97 Yes Yes 834 172 1060 C 6 H 3 30 44.3 77.69 53.08 3.45E-03 20 9.37E-08 4.39E-07 9.56E-07 03/08/97 Yes Yes 834 172 1060 C 6 H 3 35 44.35 287.06 24.29 1.14E-02 20 6.45E-07 -2.15E-06 1.62E-06 03/08/97 Yes Yes 834 172 1060 C 6 H 3 40 44.4 9.78 61.78 9.12E-03 20 9.02E-07 1.59E-07 2.79E-06 03/08/97 Yes Yes 834 172 1060 C 6 H 3 45 44.45 71.06 38 5.41E-03 20 2.93E-07 8.74E-07 1.15E-06 03/08/97 Yes Yes 834 172 1060 C 6 H 3 50 44.5 59.07 48.26 2.91E-03 20 2.11E-07 3.61E-07 7.53E-07 03/08/97 Yes Yes 834 172 1060 C 6 H 3 55 44.55 53.59 43.85 2.83E-03 20 2.57E-07 3.57E-07 6.80E-07 03/08/97 Yes Yes 834 172 1060 C 6 H 3 60 44.6 54.78 41.85 3.08E-03 20 2.81E-07 4.06E-07 7.12E-07 03/08/97 Yes Yes 834 172 1060 C 6 H 3 65 44.65 43.53 49.08 2.71E-03 20 2.73E-07 2.65E-07 7.11E-07 03/08/97 Yes Yes 834 172 1060 C 6 H 3 70 44.7 50.05 47.28 2.73E-03 20 2.52E-07 3.08E-07 6.96E-07 03/08/97 Yes Yes 834 172 1060 C 6 H 3 75 44.75 51.01 45.68 2.74E-03 20 2.55E-07 3.22E-07 6.79E-07 03/08/97 Yes Yes 834 172 1060 C 6 H 3 80 44.8 44.72 45.59 2.91E-03 20 3.07E-07 3.11E-07 7.21E-07 03/08/97 Yes Yes 834 172 1060 C 6 H 3 85 44.85 45.35 44.84 3.30E-03 20 3.49E-07 3.61E-07 8.07E-07 03/08/97 Yes Yes 834 172 1060 C 6 H 3 90 44.9 47.51 40.37 3.59E-03 20 3.92E-07 4.38E-07 8.07E-07 03/08/97 Yes Yes 834 172 1060 C 6 H 3 95 44.95 49.23 42.27 3.39E-03 20 3.48E-07 4.12E-07 7.91E-07 03/08/97 Yes Yes 834 172 1060 C 6 H 3 100 45 53.59 49.58 2.51E-03 20 2.05E-07 2.84E-07 6.62E-07 03/08/97 Yes Yes 834 172 1060 C 6 H 3 105 45.05 39.23 51.23 2.22E-03 20 2.28E-07 1.91E-07 6.00E-07 03/08/97 Yes Yes 834 172 1060 C 6 H 3 110 45.1 45.34 46.01 2.69E-03 20 2.79E-07 2.88E-07 6.71E-07 03/08/97 Yes Yes 834 172 1060 C 6 H 3 115 45.15 46.43 42.04 2.85E-03 20 3.09E-07 3.32E-07 6.61E-07 03/08/97 Yes Yes 834 172 1060 C 6 H 3 120 45.2 44.6 42.99 2.87E-03 20 3.17E-07 3.19E-07 6.78E-07 03/08/97 Yes Yes 834 172 1060 C 6 H 3 125 45.25 43.72 45.95 2.67E-03 20 2.85E-07 2.79E-07 6.66E-07 03/08/97 Yes Yes 834 172 1060 C 6 H 3 130 45.3 46.01 48.5 2.46E-03 20 2.40E-07 2.54E-07 6.38E-07 03/08/97 Yes Yes 834 172 1060 C 6 H 3 135 45.35 32.6 60.41 2.05E-03 20 1.81E-07 1.18E-07 6.17E-07 03/08/97 Yes Yes 834 172 1060 C 6 H 3 140 45.4 48.06 51.68 2.85E-03 20 2.51E-07 2.85E-07 7.76E-07 03/08/97 Yes Yes 834 172 1060 C 6 H 3 145 45.45 55.56 27.55 8.33E-03 20 8.86E-07 1.32E-06 1.34E-06 03/08/97 Yes Yes 834 172 1060 C 6 H 3 150 45.5 44.32 44.09 6.52E-03 20 7.11E-07 7.10E-07 1.57E-06 03/08/97 Yes Yes 834 172 1060 C 6 H 4 0 45.5 346.97 54.69 8.80E-03 20 1.05E-06 -2.49E-07 2.49E-06 03/08/97 Yes Yes 836 172 1060 C 6 H 4 5 45.55 357.35 30.14 4.77E-02 20 8.75E-06 -4.14E-07 8.31E-06 03/08/97 Yes Yes 836 172 1060 C 6 H 4 10 45.6 353.47 32.11 6.16E-02 20 1.10E-05 -1.29E-06 1.14E-05 03/08/97 Yes Yes 836 172 1060 C 6 H 4 15 45.65 359.78 52.53 3.38E-02 20 4.37E-06 -1.73E-08 9.31E-06 03/08/97 Yes Yes 836 172 1060 C 6 H 4 20 45.7 6.86 56.08 3.00E-02 20 3.52E-06 4.33E-07 8.62E-06 03/08/97 Yes Yes 836 172 1060 C 6 H 4 25 45.75 38.45 53.13 4.15E-02 20 4.13E-06 3.36E-06 1.15E-05 03/08/97 Yes Yes 836 172 1060 C 6 H 4 30 45.8 41.29 65.39 2.21E-02 20 1.47E-06 1.32E-06 6.97E-06 03/08/97 Yes Yes 836 172 1060 C 6 H 4 35 45.85 33.62 60.33 1.48E-02 20 1.29E-06 8.78E-07 4.45E-06 03/08/97 Yes Yes 836 172 1060 C 6 H 4 40 45.9 65.87 65.5 9.22E-03 20 3.32E-07 7.57E-07 2.91E-06 03/08/97 Yes Yes 836 172 1060 C 6 H 4 45 45.95 28.21 45.41 1.71E-02 20 2.25E-06 1.23E-06 4.22E-06 03/08/97 Yes Yes 836 172 1060 C 6 H 4 50 46 53.39 50.64 1.57E-02 20 1.26E-06 1.73E-06 4.20E-06 03/08/97 Yes Yes 836 172 1060 C 6 H 4 55 46.05 26.41 71.93 1.23E-02 20 7.27E-07 3.69E-07 4.07E-06 03/08/97 Yes Yes 836 172 1060 C 6 H 4 60 46.1 55.53 48.48 2.44E-02 20 1.94E-06 2.89E-06 6.34E-06 03/08/97 Yes Yes 836 172 1060 C 6 H 4 65 46.15 70.8 41.73 4.50E-02 20 2.34E-06 6.88E-06 1.04E-05 03/08/97 Yes Yes 836 172 1060 C 6 H 4 70 46.2 344.81 46.54 6.31E-02 20 8.89E-06 -2.47E-06 1.59E-05 03/08/97 Yes Yes 836 172 1060 C 6 H 4 75 46.25 309.49 35.91 2.04E-01 20 2.23E-05 -2.77E-05 4.16E-05 03/08/97 Yes Yes 836 172 1060 C 6 H 4 80 46.3 59.98 50.21 1.25E-01 20 8.50E-06 1.51E-05 3.34E-05 03/08/97 Yes Yes 836 172 1060 C 6 H 4 85 46.35 110.87 38.35 4.01E-02 20 -2.38E-06 6.38E-06 8.63E-06 03/08/97 Yes Yes 836 172 1060 C 6 H 4 90 46.4 175.5 52.6 1.45E-02 20 -1.86E-06 1.49E-07 3.99E-06 03/08/97 Yes Yes 836 172 1060 C 6 H 4 95 46.45 338.45 61.04 3.32E-02 20 3.17E-06 -1.28E-06 1.01E-05 03/08/97 Yes Yes 836 172 1060 C 6 H 4 100 46.5 334.67 52.39 8.99E-02 20 1.05E-05 -5.09E-06 2.47E-05 03/08/97 Yes Yes 836 172 1060 C 6 H 4 105 46.55 0.52 48.64 1.14E-01 20 1.60E-05 1.50E-07 2.97E-05 03/08/97 Yes Yes 836 172 1060 C 6 H 4 110 46.6 315.21 59.32 1.31E-01 20 1.00E-05 -1.02E-05 3.89E-05 03/08/97 Yes Yes 836 172 1060 C 6 H 4 115 46.65 356.52 64.36 1.06E-01 20 9.71E-06 -6.03E-07 3.31E-05 03/08/97 Yes Yes 836 172 1060 C 6 H 4 120 46.7 56.09 67.76 8.03E-02 20 3.60E-06 5.47E-06 2.58E-05 03/08/97 Yes Yes 836 172 1060 C 6 H 4 125 46.75 96.91 38.21 3.17E-02 20 -6.36E-07 5.36E-06 6.80E-06 03/08/97 Yes Yes 836 172 1060 C 6 H 4 130 46.8 286.57 2.44 3.18E-02 20 1.92E-06 -6.60E-06 4.70E-07 03/08/97 Yes Yes 836 172 1060 C 6 H 4 135 46.85 297.03 23.57 2.65E-02 20 2.34E-06 -4.69E-06 3.67E-06 03/08/97 Yes Yes 836 172 1060 C 6 H 4 140 46.9 79.52 33.42 9.62E-03 20 3.10E-07 1.71E-06 1.84E-06 03/08/97 Yes Yes 836 172 1060 C 6 H 4 145 46.95 62.87 42.92 4.79E-03 20 3.39E-07 6.77E-07 1.13E-06 03/08/97 Yes Yes 836 172 1060 C 6 H 4 150 47 82.03 67.52 2.03E-03 20 2.29E-08 1.67E-07 6.51E-07 03/08/97 Yes Yes 836 172 1060 C 6 H 5 0 47 338.79 79.9 4.61E-04 20 1.60E-08 -6.34E-09 1.57E-07 03/08/97 Yes Yes 838 172 1060 C 6 H 5 5 47.05 37.75 66.58 1.39E-03 20 9.26E-08 7.33E-08 4.42E-07 03/08/97 Yes Yes 838 172 1060 C 6 H 5 10 47.1 7.16 65.57 2.61E-03 20 2.27E-07 2.92E-08 8.25E-07 03/08/97 Yes Yes 838 172 1060 C 6 H 5 15 47.15 33.14 29.62 1.39E-02 20 2.15E-06 1.44E-06 2.39E-06 03/08/97 Yes Yes 838 172 1060 C 6 H 5 20 47.2 54.48 39.26 1.31E-02 20 1.25E-06 1.79E-06 2.87E-06 03/08/97 Yes Yes 838 172 1060 C 6 H 5 25 47.25 88.59 17.2 7.40E-03 20 3.68E-08 1.53E-06 7.59E-07 03/08/97 Yes Yes 838 172 1060 C 6 H 5 30 47.3 21.69 47.32 9.46E-03 20 1.26E-06 5.14E-07 2.41E-06 03/08/97 Yes Yes 838 172 1060 C 6 H 5 35 47.35 14.69 66.35 7.77E-03 20 6.40E-07 1.72E-07 2.47E-06 03/08/97 Yes Yes 838 172 1060 C 6 H 5 40 47.4 5.01 30.23 1.68E-02 20 3.07E-06 2.75E-07 2.93E-06 03/08/97 Yes Yes 838 172 1060 C 6 H 5 45 47.45 352.47 21.71 1.81E-02 20 3.54E-06 -4.79E-07 2.33E-06 03/08/97 Yes Yes 838 172 1060 C 6 H 5 50 47.5 331.89 63.01 4.43E-03 20 3.76E-07 -2.05E-07 1.37E-06 03/08/97 Yes Yes 838 172 1060 C 6 H 5 55 47.55 104.45 69.04 2.65E-03 20 -5.02E-08 1.99E-07 8.59E-07 03/08/97 Yes Yes 838 172 1060 C 6 H 5 60 47.6 27.18 36.72 9.65E-03 20 1.46E-06 7.66E-07 2.00E-06 03/08/97 Yes Yes 838 172 1060 C 6 H 5 65 47.65 51.41 45.57 8.66E-03 20 8.02E-07 1.03E-06 2.14E-06 03/08/97 Yes Yes 838 172 1060 C 6 H 5 70 47.7 58.99 67.1 2.72E-03 20 1.16E-07 1.97E-07 8.68E-07 03/08/97 Yes Yes 838 172 1060 C 6 H 5 75 47.75 292.76 74.91 1.26E-03 20 2.69E-08 -6.55E-08 4.21E-07 03/08/97 Yes Yes 838 172 1060 C 6 H 5 80 47.8 24.06 65.58 1.64E-03 20 1.31E-07 6.00E-08 5.18E-07 03/08/97 Yes Yes 838 172 1060 C 6 H 5 85 47.85 44.96 49.72 2.49E-03 20 2.42E-07 2.47E-07 6.59E-07 03/08/97 Yes Yes 838 172 1060 C 6 H 5 90 47.9 31.27 39.04 2.48E-03 20 3.49E-07 2.17E-07 5.41E-07 03/08/97 Yes Yes 838 172 1060 C 6 H 5 95 47.95 13.32 18.71 3.46E-03 20 6.76E-07 1.64E-07 3.85E-07 03/08/97 Yes Yes 838 172 1060 C 6 H 5 100 48 31.11 36.28 3.43E-03 20 5.03E-07 3.10E-07 7.04E-07 03/08/97 Yes Yes 838 172 1060 C 6 H 5 105 48.05 34.2 55.96 2.59E-03 20 2.54E-07 1.76E-07 7.43E-07 03/08/97 Yes Yes 838 172 1060 C 6 H 5 110 48.1 33.79 43.79 5.62E-03 20 7.15E-07 4.89E-07 1.35E-06 03/08/97 Yes Yes 838 172 1060 C 6 H 5 115 48.15 40.37 50.29 6.41E-03 20 6.61E-07 5.75E-07 1.71E-06 03/08/97 Yes Yes 838 172 1060 C 6 H 5 120 48.2 44.07 65.4 2.88E-03 20 1.83E-07 1.81E-07 9.09E-07 03/08/97 Yes Yes 838 172 1060 C 6 H 5 125 48.25 327.21 42 3.53E-03 20 4.68E-07 -3.08E-07 8.19E-07 03/08/97 Yes Yes 838 172 1060 C 6 H 5 130 48.3 33.25 59.7 3.99E-03 20 3.57E-07 2.39E-07 1.19E-06 03/08/97 Yes Yes 838 172 1060 C 6 H 5 135 48.35 42.7 51.32 3.39E-03 20 3.30E-07 3.11E-07 9.17E-07 03/08/97 Yes Yes 838 172 1060 C 6 H 5 140 48.4 38.03 40.83 2.50E-03 20 3.16E-07 2.52E-07 5.66E-07 03/08/97 Yes Yes 838 172 1060 C 6 H 5 145 48.45 21.83 36.38 2.04E-03 20 3.23E-07 1.32E-07 4.19E-07 03/08/97 Yes Yes 838 172 1060 C 6 H 5 150 48.5 44.22 51.44 1.06E-03 20 1.00E-07 9.97E-08 2.87E-07 03/08/97 Yes Yes 838 172 1060 C 6 H 6 0 48.5 344.07 40.93 1.00E-03 20 1.54E-07 -4.51E-08 2.28E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 6 5 48.55 29.97 34.93 2.69E-03 20 4.05E-07 2.39E-07 5.33E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 6 10 48.6 34.32 39.43 2.78E-03 20 3.76E-07 2.62E-07 6.12E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 6 15 48.65 28.49 43.41 2.56E-03 20 3.46E-07 1.92E-07 6.09E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 6 20 48.7 35.55 42.45 2.60E-03 20 3.31E-07 2.42E-07 6.08E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 6 25 48.75 37.09 40.42 2.13E-03 20 2.75E-07 2.12E-07 4.80E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 6 30 48.8 26.65 42.21 2.18E-03 20 3.05E-07 1.57E-07 5.07E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 6 35 48.85 34.89 38.01 2.28E-03 20 3.12E-07 2.22E-07 4.86E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 6 40 48.9 34.12 38.12 2.19E-03 20 3.02E-07 2.09E-07 4.68E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 6 45 48.95 38.01 36.25 2.24E-03 20 3.02E-07 2.41E-07 4.59E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 6 50 49 33.79 41.03 2.00E-03 20 2.66E-07 1.82E-07 4.55E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 6 55 49.05 33.13 40.65 1.89E-03 20 2.55E-07 1.70E-07 4.28E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 6 60 49.1 31.74 38.15 2.14E-03 20 3.04E-07 1.92E-07 4.59E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 6 65 49.15 32.49 38.76 2.26E-03 20 3.15E-07 2.05E-07 4.90E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 6 70 49.2 34.07 39.03 2.15E-03 20 2.94E-07 2.03E-07 4.70E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 6 75 49.25 28.98 42.06 1.97E-03 20 2.72E-07 1.54E-07 4.58E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 6 80 49.3 30.84 40.55 2.08E-03 20 2.88E-07 1.76E-07 4.68E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 6 85 49.35 30.98 39.17 1.99E-03 20 2.80E-07 1.72E-07 4.35E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 6 90 49.4 29.31 38.61 1.92E-03 20 2.78E-07 1.60E-07 4.16E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 6 95 49.45 30.8 40.05 1.74E-03 20 2.42E-07 1.48E-07 3.87E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 6 100 49.5 28.32 38.4 1.76E-03 20 2.57E-07 1.42E-07 3.79E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 6 105 49.55 29.37 36 2.12E-03 20 3.17E-07 1.82E-07 4.31E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 6 110 49.6 31.15 38.33 2.16E-03 20 3.08E-07 1.90E-07 4.65E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 6 115 49.65 31.29 39.71 2.02E-03 20 2.82E-07 1.75E-07 4.48E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 6 120 49.7 31.51 36.24 2.18E-03 20 3.19E-07 2.00E-07 4.48E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 6 125 49.75 27.28 38.06 2.14E-03 20 3.17E-07 1.67E-07 4.57E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 6 130 49.8 47.81 24.39 2.66E-03 20 3.45E-07 3.89E-07 3.80E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 6 135 49.85 49.16 5.02 2.22E-03 20 3.07E-07 3.63E-07 6.73E-08 03/08/97 Yes Yes 840 172 1060 C 6 H 6 140 49.9 358.2 34.75 1.49E-03 20 2.60E-07 -8.35E-09 2.95E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 6 145 49.95 28.54 32.52 1.95E-03 20 3.06E-07 1.70E-07 3.63E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 6 150 50 37.62 33.83 1.36E-03 20 1.90E-07 1.49E-07 2.62E-07 03/08/97 Yes Yes 840 172 1060 C 6 H 7 0 50 14.16 21.11 8.40E-04 20 1.61E-07 4.16E-08 1.05E-07 03/08/97 Yes Yes 842 172 1060 C 6 H 7 5 50.05 21.88 24.89 1.65E-03 20 2.95E-07 1.21E-07 2.41E-07 03/08/97 Yes Yes 842 172 1060 C 6 H 7 10 50.1 35.51 36.13 1.01E-03 20 1.40E-07 1.02E-07 2.06E-07 03/08/97 Yes Yes 842 172 1060 C 6 H 7 15 50.15 31.36 54.25 4.79E-04 20 5.07E-08 3.16E-08 1.35E-07 03/08/97 Yes Yes 842 172 1060 C 6 H 7 20 50.2 19.06 50.32 4.68E-04 20 6.00E-08 2.12E-08 1.25E-07 03/08/97 Yes Yes 842 172 1060 C 6 H 7 25 50.25 25.92 38.82 6.96E-04 20 1.03E-07 5.14E-08 1.51E-07 03/08/97 Yes Yes 842 172 1060 C 6 H 7 30 50.3 28.79 31.03 1.02E-03 20 1.62E-07 9.10E-08 1.82E-07 03/08/97 Yes Yes 842 172 1060 C 6 H 7 35 50.35 29.02 28.76 1.18E-03 20 1.92E-07 1.09E-07 1.97E-07 03/08/97 Yes Yes 842 172 1060 C 6 H 7 40 50.4 32.05 30.47 1.20E-03 20 1.87E-07 1.19E-07 2.12E-07 03/08/97 Yes Yes 842 172 1060 C 6 H 7 45 50.45 34.81 33 1.42E-03 20 2.08E-07 1.48E-07 2.68E-07 03/08/97 Yes Yes 842 172 1060 C 6 H 7 50 50.5 36.82 37.79 1.56E-03 20 2.09E-07 1.60E-07 3.31E-07 03/08/97 Yes Yes 842 172 1060 C 6 H 7 55 50.55 40.77 34.12 1.61E-03 20 2.14E-07 1.89E-07 3.14E-07 03/08/97 Yes Yes 842 172 1060 C 6 H 7 60 50.6 24.05 35.87 1.25E-03 20 1.97E-07 8.98E-08 2.55E-07 03/08/97 Yes Yes 842 172 1060 C 6 H 7 65 50.65 314.44 48.56 5.36E-04 20 5.27E-08 -5.49E-08 1.39E-07 03/08/97 Yes Yes 842 172 1060 C 7 H 1 0 50.5 25.19 -3.3 1.44E-04 20 2.76E-08 1.33E-08 -2.87E-09 03/08/97 Yes Yes 844 172 1060 C 7 H 1 5 50.55 333.6 -2.89 5.61E-04 20 1.06E-07 -5.40E-08 -9.81E-09 03/08/97 Yes Yes 844 172 1060 C 7 H 1 10 50.6 313.82 3.1 4.51E-04 20 6.61E-08 -7.04E-08 8.45E-09 03/08/97 Yes Yes 844 172 1060 C 7 H 1 15 50.65 339.29 45.48 3.77E-04 20 5.24E-08 -2.03E-08 9.32E-08 03/08/97 Yes Yes 844 172 1060 C 7 H 1 20 50.7 57.63 56.93 4.90E-04 20 3.04E-08 4.90E-08 1.42E-07 03/08/97 Yes Yes 844 172 1060 C 7 H 1 25 50.75 159.55 64.55 4.45E-04 20 -3.80E-08 1.45E-08 1.39E-07 03/08/97 Yes Yes 844 172 1060 C 7 H 1 30 50.8 317.38 58.33 6.71E-04 20 5.50E-08 -5.17E-08 1.98E-07 03/08/97 Yes Yes 844 172 1060 C 7 H 1 35 50.85 44.45 63.87 1.11E-03 20 7.42E-08 7.45E-08 3.47E-07 03/08/97 Yes Yes 844 172 1060 C 7 H 1 40 50.9 78.94 46.94 1.86E-03 20 5.16E-08 2.70E-07 4.70E-07 03/08/97 Yes Yes 844 172 1060 C 7 H 1 45 50.95 84.3 46.14 2.06E-03 20 3.01E-08 3.08E-07 5.15E-07 03/08/97 Yes Yes 844 172 1060 C 7 H 1 50 51 96.7 47.89 1.56E-03 20 -2.59E-08 2.25E-07 4.01E-07 03/08/97 Yes Yes 844 172 1060 C 7 H 1 55 51.05 103.77 79.56 7.83E-04 20 -7.17E-09 2.99E-08 2.67E-07 03/08/97 Yes Yes 844 172 1060 C 7 H 1 60 51.1 73.61 53.93 1.44E-03 20 5.09E-08 1.77E-07 4.05E-07 03/08/97 Yes Yes 844 172 1060 C 7 H 1 65 51.15 89.17 48.7 1.98E-03 20 4.00E-09 2.83E-07 5.15E-07 03/08/97 Yes Yes 844 172 1060 C 7 H 1 70 51.2 88.79 44.72 2.25E-03 20 7.15E-09 3.46E-07 5.48E-07 03/08/97 Yes Yes 844 172 1060 C 7 H 1 75 51.25 84.09 45.56 2.38E-03 20 3.63E-08 3.59E-07 5.88E-07 03/08/97 Yes Yes 844 172 1060 C 7 H 1 80 51.3 85.72 52.11 2.22E-03 20 2.15E-08 2.94E-07 6.06E-07 03/08/97 Yes Yes 844 172 1060 C 7 H 1 85 51.35 85.24 51.39 2.26E-03 20 2.48E-08 3.04E-07 6.11E-07 03/08/97 Yes Yes 844 172 1060 C 7 H 1 90 51.4 87.61 50.45 2.40E-03 20 1.35E-08 3.31E-07 6.42E-07 03/08/97 Yes Yes 844 172 1060 C 7 H 1 95 51.45 88.43 49.11 2.46E-03 20 9.38E-09 3.49E-07 6.45E-07 03/08/97 Yes Yes 844 172 1060 C 7 H 1 100 51.5 86.27 49.56 2.57E-03 20 2.30E-08 3.61E-07 6.79E-07 03/08/97 Yes Yes 844 172 1060 C 7 H 1 105 51.55 85.7 47.58 2.75E-03 20 2.95E-08 4.01E-07 7.04E-07 03/08/97 Yes Yes 844 172 1060 C 7 H 1 110 51.6 90.62 50.17 2.61E-03 20 -3.86E-09 3.63E-07 6.96E-07 03/08/97 Yes Yes 844 172 1060 C 7 H 1 115 51.65 93.55 51.95 2.43E-03 20 -1.97E-08 3.25E-07 6.64E-07 03/08/97 Yes Yes 844 172 1060 C 7 H 1 120 51.7 77.89 40.35 3.57E-03 20 1.21E-07 5.78E-07 8.02E-07 03/08/97 Yes Yes 844 172 1060 C 7 H 1 125 51.75 47.45 40.33 4.92E-03 20 5.38E-07 6.00E-07 1.10E-06 03/08/97 Yes Yes 844 172 1060 C 7 H 1 130 51.8 270.91 47.6 5.43E-03 20 1.24E-08 -7.95E-07 1.39E-06 03/08/97 Yes Yes 844 172 1060 C 7 H 1 135 51.85 96.03 51.06 3.50E-03 20 -4.91E-08 4.74E-07 9.44E-07 03/08/97 Yes Yes 844 172 1060 C 7 H 1 140 51.9 80.67 51.96 2.47E-03 20 5.22E-08 3.25E-07 6.73E-07 03/08/97 Yes Yes 844 172 1060 C 7 H 1 145 51.95 78.54 55.02 2.57E-03 20 6.22E-08 3.14E-07 7.31E-07 03/08/97 Yes Yes 844 172 1060 C 7 H 1 150 52 102.34 42.76 1.55E-03 20 -5.17E-08 2.42E-07 3.65E-07 03/08/97 Yes Yes 844 172 1060 C 7 H 2 0 52 221.94 48.21 1.44E-03 20 -1.52E-07 -1.39E-07 3.73E-07 03/08/97 Yes Yes 846 172 1060 C 7 H 2 5 52.05 337.22 40.69 6.04E-03 20 8.96E-07 -3.85E-07 1.37E-06 03/08/97 Yes Yes 846 172 1060 C 7 H 2 10 52.1 54.1 36.65 1.46E-02 20 1.46E-06 2.06E-06 3.02E-06 03/08/97 Yes Yes 846 172 1060 C 7 H 2 15 52.15 57.64 38.79 1.54E-02 20 1.36E-06 2.20E-06 3.35E-06 03/08/97 Yes Yes 846 172 1060 C 7 H 2 20 52.2 72.18 70.16 1.26E-02 20 2.78E-07 8.85E-07 4.12E-06 03/08/97 Yes Yes 846 172 1060 C 7 H 2 25 52.25 179.89 62.37 4.04E-03 20 -3.98E-07 7.70E-10 1.24E-06 03/08/97 Yes Yes 846 172 1060 C 7 H 2 30 52.3 22.68 38.84 2.40E-03 20 3.66E-07 1.56E-07 5.21E-07 03/08/97 Yes Yes 846 172 1060 C 7 H 2 35 52.35 11.65 53.17 2.26E-03 20 2.81E-07 5.93E-08 6.27E-07 03/08/97 Yes Yes 846 172 1060 C 7 H 2 40 52.4 125.47 51.23 1.19E-03 20 -9.19E-08 1.32E-07 3.22E-07 03/08/97 Yes Yes 846 172 1060 C 7 H 2 45 52.45 91.41 51.45 7.42E-04 20 -2.41E-09 1.00E-07 2.01E-07 03/08/97 Yes Yes 846 172 1060 C 7 H 2 50 52.5 86 42.79 7.67E-04 20 8.33E-09 1.22E-07 1.81E-07 03/08/97 Yes Yes 846 172 1060 C 7 H 2 55 52.55 92.07 45.09 5.91E-04 20 -3.20E-09 9.05E-08 1.45E-07 03/08/97 Yes Yes 846 172 1060 C 7 H 2 60 52.6 88.96 47.25 5.08E-04 20 1.33E-09 7.47E-08 1.29E-07 03/08/97 Yes Yes 846 172 1060 C 7 H 2 65 52.65 330.23 36.43 8.22E-04 20 1.22E-07 -7.13E-08 1.69E-07 03/08/97 Yes Yes 846 172 1060 C 7 H 2 70 52.7 12.97 57.44 1.23E-03 20 1.37E-07 3.22E-08 3.59E-07 03/08/97 Yes Yes 846 172 1060 C 7 H 2 75 52.75 101.52 37.82 9.32E-04 20 -3.12E-08 1.56E-07 1.98E-07 03/08/97 Yes Yes 846 172 1060 C 7 H 2 80 52.8 94.3 45.32 4.86E-04 20 -5.43E-09 7.39E-08 1.20E-07 03/08/97 Yes Yes 846 172 1060 C 7 H 2 85 52.85 85.33 41.23 4.38E-04 20 5.69E-09 7.12E-08 1.00E-07 03/08/97 Yes Yes 846 172 1060 C 7 H 2 90 52.9 86.5 45.74 3.40E-04 20 3.07E-09 5.14E-08 8.44E-08 03/08/97 Yes Yes 846 172 1060 C 7 H 2 95 52.95 85.53 49.26 2.76E-04 20 2.98E-09 3.90E-08 7.26E-08 03/08/97 Yes Yes 846 172 1060 C 7 H 2 100 53 85.17 44.23 2.63E-04 20 3.37E-09 4.07E-08 6.36E-08 03/08/97 Yes Yes 846 172 1060 C 7 H 2 105 53.05 79.8 43.22 2.75E-04 20 7.54E-09 4.28E-08 6.54E-08 03/08/97 Yes Yes 846 172 1060 C 7 H 2 110 53.1 72.11 53.25 2.57E-04 20 1.00E-08 3.17E-08 7.14E-08 03/08/97 Yes Yes 846 172 1060 C 7 H 2 115 53.15 86.66 49.9 2.63E-04 20 2.10E-09 3.67E-08 6.98E-08 03/08/97 Yes Yes 846 172 1060 C 7 H 2 120 53.2 94.95 47.91 2.38E-04 20 -2.92E-09 3.45E-08 6.13E-08 03/08/97 Yes Yes 846 172 1060 C 7 H 2 125 53.25 99.02 51.2 2.42E-04 20 -5.04E-09 3.25E-08 6.54E-08 03/08/97 Yes Yes 846 172 1060 C 7 H 2 130 53.3 94.15 51.75 2.26E-04 20 -2.15E-09 3.03E-08 6.16E-08 03/08/97 Yes Yes 846 172 1060 C 7 H 2 135 53.35 79.83 54.72 2.09E-04 20 4.53E-09 2.58E-08 5.92E-08 03/08/97 Yes Yes 846 172 1060 C 7 H 2 140 53.4 81.72 49.34 2.28E-04 20 4.53E-09 3.18E-08 5.99E-08 03/08/97 Yes Yes 846 172 1060 C 7 H 2 145 53.45 95.44 46.23 1.78E-04 20 -2.47E-09 2.66E-08 4.45E-08 03/08/97 Yes Yes 846 172 1060 C 7 H 2 150 53.5 122.3 53.51 6.93E-05 20 -4.67E-09 7.56E-09 1.93E-08 03/08/97 Yes Yes 846 172 1060 C 7 H 3 0 53.5 59.48 58.19 4.59E-05 20 2.60E-09 4.52E-09 1.35E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 5 53.55 85.67 45.87 1.03E-04 20 1.15E-09 1.56E-08 2.57E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 10 53.6 80.82 32.53 1.12E-04 20 3.19E-09 2.02E-08 2.09E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 15 53.65 68.55 44.92 1.06E-04 20 5.84E-09 1.52E-08 2.60E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 20 53.7 72.82 42.88 1.12E-04 20 5.13E-09 1.70E-08 2.64E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 25 53.75 96.69 58.7 8.83E-05 20 -1.13E-09 9.89E-09 2.62E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 30 53.8 101.68 57.32 1.04E-04 20 -2.42E-09 1.20E-08 3.05E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 35 53.85 74.43 53.72 1.19E-04 20 4.00E-09 1.47E-08 3.32E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 40 53.9 58.35 49.71 1.34E-04 20 9.64E-09 1.60E-08 3.54E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 45 53.95 81.76 43.25 1.33E-04 20 2.95E-09 2.08E-08 3.16E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 50 54 79.88 40 1.44E-04 20 4.10E-09 2.35E-08 3.20E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 55 54.05 77.23 47.35 1.26E-04 20 4.01E-09 1.81E-08 3.22E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 60 54.1 95.49 47.77 1.28E-04 20 -1.74E-09 1.86E-08 3.28E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 65 54.15 94.58 41.12 1.37E-04 20 -1.74E-09 2.23E-08 3.12E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 70 54.2 95.62 40.62 1.59E-04 20 -2.50E-09 2.60E-08 3.58E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 75 54.25 93.14 43.98 1.63E-04 20 -1.36E-09 2.54E-08 3.92E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 80 54.3 70.73 48.74 1.70E-04 20 7.84E-09 2.29E-08 4.43E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 85 54.35 78.94 47.36 2.08E-04 20 5.74E-09 3.00E-08 5.31E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 90 54.4 99.2 53.43 1.81E-04 20 -3.66E-09 2.31E-08 5.04E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 95 54.45 93.35 60.36 1.50E-04 20 -9.18E-10 1.60E-08 4.51E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 100 54.5 87.54 58.67 1.34E-04 20 6.34E-10 1.51E-08 3.97E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 105 54.55 65.57 60.41 1.28E-04 20 5.56E-09 1.25E-08 3.87E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 110 54.6 94.88 50.19 1.84E-04 20 -2.13E-09 2.55E-08 4.90E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 115 54.65 94.01 42.03 2.06E-04 20 -2.27E-09 3.31E-08 4.79E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 120 54.7 94.11 46.57 1.75E-04 20 -1.83E-09 2.60E-08 4.41E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 125 54.75 83.97 48.81 1.51E-04 20 2.22E-09 2.15E-08 3.94E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 130 54.8 78.27 47.72 1.52E-04 20 4.40E-09 2.17E-08 3.89E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 135 54.85 95.67 56.96 1.36E-04 20 -1.56E-09 1.61E-08 3.97E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 140 54.9 79.56 48.04 1.47E-04 20 3.78E-09 2.10E-08 3.79E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 145 54.95 77.87 50.91 1.29E-04 20 3.64E-09 1.73E-08 3.48E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 3 150 55 106.72 44.65 9.85E-05 20 -4.27E-09 1.46E-08 2.40E-08 03/08/97 Yes Yes 848 172 1060 C 7 H 4 0 55 34.32 55.75 5.45E-05 20 5.37E-09 3.75E-09 1.56E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 5 55.05 78.16 38.21 1.38E-04 20 4.71E-09 2.29E-08 2.95E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 10 55.1 80.14 46.24 1.02E-04 20 2.56E-09 1.51E-08 2.55E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 15 55.15 75.42 64.15 7.91E-05 20 1.84E-09 7.24E-09 2.47E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 20 55.2 82.91 42.84 1.32E-04 20 2.53E-09 2.08E-08 3.11E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 25 55.25 74.2 42.57 1.34E-04 20 5.68E-09 2.05E-08 3.13E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 30 55.3 80.61 44.37 1.45E-04 20 3.59E-09 2.22E-08 3.52E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 35 55.35 91.12 49.79 1.42E-04 20 -3.81E-10 1.99E-08 3.76E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 40 55.4 95.36 46.41 1.30E-04 20 -1.78E-09 1.93E-08 3.26E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 45 55.45 87.2 39.67 1.49E-04 20 1.19E-09 2.48E-08 3.30E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 50 55.5 79.38 36.76 1.67E-04 20 5.22E-09 2.85E-08 3.46E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 55 55.55 85.87 41.74 1.67E-04 20 1.90E-09 2.69E-08 3.85E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 60 55.6 99.14 46.78 1.62E-04 20 -3.73E-09 2.37E-08 4.08E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 65 55.65 97.45 50.94 1.45E-04 20 -2.51E-09 1.96E-08 3.90E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 70 55.7 99.82 58.01 1.29E-04 20 -2.48E-09 1.46E-08 3.80E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 75 55.75 111.8 62.22 1.06E-04 20 -3.91E-09 9.99E-09 3.26E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 80 55.8 97.18 48.8 1.40E-04 20 -2.45E-09 1.99E-08 3.65E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 85 55.85 90.02 43.58 1.72E-04 20 -7.77E-12 2.70E-08 4.10E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 90 55.9 87.5 44.55 1.87E-04 20 1.23E-09 2.89E-08 4.55E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 95 55.95 91.34 46.15 1.77E-04 20 -6.08E-10 2.66E-08 4.42E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 100 56 89.36 40.62 2.02E-04 20 3.65E-10 3.33E-08 4.56E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 105 56.05 92.65 44.61 2.03E-04 20 -1.42E-09 3.13E-08 4.95E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 110 56.1 96.06 46.36 1.98E-04 20 -3.06E-09 2.95E-08 4.97E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 115 56.15 87.77 43.23 2.17E-04 20 1.30E-09 3.42E-08 5.15E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 120 56.2 92.43 38.94 2.22E-04 20 -1.55E-09 3.75E-08 4.85E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 125 56.25 90.22 38.16 1.94E-04 20 -1.24E-10 3.31E-08 4.16E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 130 56.3 95.71 43.31 1.52E-04 20 -2.34E-09 2.39E-08 3.62E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 135 56.35 93.71 46.45 1.41E-04 20 -1.34E-09 2.11E-08 3.55E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 140 56.4 88.59 48.61 1.43E-04 20 4.93E-10 2.05E-08 3.71E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 145 56.45 77.79 46.95 1.27E-04 20 3.90E-09 1.84E-08 3.22E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 4 150 56.5 91.81 47.39 7.74E-05 20 -3.52E-10 1.14E-08 1.97E-08 03/08/97 Yes Yes 850 172 1060 C 7 H 5 0 56.5 45.43 55.86 5.02E-05 20 4.20E-09 4.35E-09 1.44E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 5 56.55 64.71 44.67 1.39E-04 20 8.99E-09 1.94E-08 3.40E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 10 56.6 67.02 43.38 1.87E-04 20 1.13E-08 2.72E-08 4.46E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 15 56.65 69.16 41.08 2.15E-04 20 1.23E-08 3.29E-08 4.91E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 20 56.7 72.28 37.97 2.33E-04 20 1.19E-08 3.79E-08 4.97E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 25 56.75 75.22 41.29 2.12E-04 20 8.61E-09 3.34E-08 4.85E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 30 56.8 77.86 39.1 2.17E-04 20 7.53E-09 3.58E-08 4.75E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 35 56.85 70.1 40.26 2.18E-04 20 1.20E-08 3.39E-08 4.88E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 40 56.9 65.85 39.35 2.28E-04 20 1.53E-08 3.50E-08 5.02E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 45 56.95 64.19 41.86 2.18E-04 20 1.50E-08 3.17E-08 5.05E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 50 57 67.38 45.88 1.95E-04 20 1.11E-08 2.71E-08 4.85E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 55 57.05 65.02 44.8 1.91E-04 20 1.22E-08 2.67E-08 4.68E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 60 57.1 66.26 44.06 1.84E-04 20 1.13E-08 2.62E-08 4.43E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 65 57.15 64.83 39.01 2.02E-04 20 1.42E-08 3.09E-08 4.42E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 70 57.2 69.1 37.99 1.93E-04 20 1.15E-08 3.08E-08 4.11E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 75 57.25 75.27 46.24 1.51E-04 20 5.63E-09 2.19E-08 3.78E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 80 57.3 75.84 48.47 1.41E-04 20 4.86E-09 1.97E-08 3.66E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 85 57.35 83.04 47.46 1.57E-04 20 2.73E-09 2.29E-08 4.01E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 90 57.4 92.6 53.79 1.25E-04 20 -7.12E-10 1.60E-08 3.50E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 95 57.45 92.15 52.05 1.08E-04 20 -5.29E-10 1.44E-08 2.96E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 100 57.5 102.85 41.74 8.88E-05 20 -3.12E-09 1.40E-08 2.05E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 105 57.55 92.65 28.57 8.55E-05 20 -7.36E-10 1.63E-08 1.42E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 110 57.6 79.81 31.29 9.19E-05 20 2.95E-09 1.68E-08 1.66E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 115 57.65 85.3 38.48 7.40E-05 20 1.01E-09 1.25E-08 1.60E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 120 57.7 85.29 49.34 6.57E-05 20 7.45E-10 9.25E-09 1.73E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 125 57.75 94.53 44.52 7.72E-05 20 -9.22E-10 1.19E-08 1.88E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 130 57.8 91.08 46.11 7.97E-05 20 -2.20E-10 1.20E-08 1.99E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 135 57.85 91.64 45.55 7.82E-05 20 -3.32E-10 1.19E-08 1.93E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 140 57.9 83.36 42.72 9.01E-05 20 1.62E-09 1.43E-08 2.12E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 145 57.95 83.28 45.76 8.07E-05 20 1.40E-09 1.21E-08 2.00E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 5 150 58 96.06 36.71 5.58E-05 20 -1.00E-09 9.65E-09 1.16E-08 03/08/97 Yes Yes 852 172 1060 C 7 H 6 0 58 75.15 41.25 3.59E-05 20 1.47E-09 5.67E-09 8.22E-09 03/08/97 Yes Yes 854 172 1060 C 7 H 6 5 58.05 77.4 43.72 8.55E-05 20 2.86E-09 1.31E-08 2.05E-08 03/08/97 Yes Yes 854 172 1060 C 7 H 6 10 58.1 91.05 57.49 7.51E-05 20 -1.56E-10 8.75E-09 2.19E-08 03/08/97 Yes Yes 854 172 1060 C 7 H 6 15 58.15 89.78 42.72 8.22E-05 20 4.90E-11 1.31E-08 1.93E-08 03/08/97 Yes Yes 854 172 1060 C 7 H 6 20 58.2 72.38 48.97 7.77E-05 20 3.27E-09 1.05E-08 2.03E-08 03/08/97 Yes Yes 854 172 1060 C 7 H 6 25 58.25 67.35 49.32 8.58E-05 20 4.57E-09 1.12E-08 2.26E-08 03/08/97 Yes Yes 854 172 1060 C 7 H 6 30 58.3 79.88 60.33 7.72E-05 20 1.42E-09 8.16E-09 2.32E-08 03/08/97 Yes Yes 854 172 1060 C 7 H 6 35 58.35 81.3 58.99 6.59E-05 20 1.09E-09 7.28E-09 1.96E-08 03/08/97 Yes Yes 854 172 1060 C 7 H 6 40 58.4 89.01 46.78 6.36E-05 20 1.60E-10 9.44E-09 1.61E-08 03/08/97 Yes Yes 854 172 1060 C 7 H 6 45 58.45 104.57 51.04 5.49E-05 20 -1.84E-09 7.25E-09 1.48E-08 03/08/97 Yes Yes 854 172 1060 C 7 H 6 50 58.5 107.22 48.78 5.09E-05 20 -2.10E-09 6.95E-09 1.33E-08 03/08/97 Yes Yes 854 172 1060 C 7 H 6 55 58.55 102.9 39.03 5.77E-05 20 -2.12E-09 9.47E-09 1.26E-08 03/08/97 Yes Yes 854 172 1060 C 7 H 6 60 58.6 98.39 46.65 6.01E-05 20 -1.28E-09 8.85E-09 1.51E-08 03/08/97 Yes Yes 854 172 1060 C 7 H 6 65 58.65 79.65 38.66 5.41E-05 20 1.61E-09 9.01E-09 1.17E-08 03/08/97 Yes Yes 854 172 1060 C 7 H 6 70 58.7 89.72 34.42 7.02E-05 20 5.98E-11 1.26E-08 1.38E-08 03/08/97 Yes Yes 854 172 1060 C 7 H 6 75 58.75 146.64 35.23 6.16E-05 20 -8.91E-09 6.00E-09 1.23E-08 03/08/97 Yes Yes 854 172 1060 C 7 H 6 80 58.8 295.44 -9.27 8.46E-05 20 7.61E-09 -1.64E-08 -4.73E-09 03/08/97 Yes Yes 854 172 1060 C 7 H 6 85 58.85 21.65 21.37 9.06E-05 20 1.66E-08 6.75E-09 1.15E-08 03/08/97 Yes Yes 854 172 1060 C 7 H 6 90 58.9 84.71 40.72 8.41E-05 20 1.25E-09 1.38E-08 1.90E-08 03/08/97 Yes Yes 854 172 1060 C 7 H 6 95 58.95 92.04 48.87 7.70E-05 20 -3.83E-10 1.10E-08 2.01E-08 03/08/97 Yes Yes 854 172 1060 C 7 H 6 100 59 101.94 53.15 7.01E-05 20 -1.85E-09 8.92E-09 1.94E-08 03/08/97 Yes Yes 854 172 1060 C 7 H 6 105 59.05 92.9 60.69 5.82E-05 20 -3.06E-10 6.17E-09 1.76E-08 03/08/97 Yes Yes 854 172 1060 C 7 H 6 110 59.1 73.51 57.09 6.15E-05 20 2.01E-09 6.95E-09 1.79E-08 03/08/97 Yes Yes 854 172 1060 C 7 H 6 115 59.15 66.03 48.95 6.98E-05 20 3.95E-09 9.08E-09 1.82E-08 03/08/97 Yes Yes 854 172 1060 C 7 H 6 120 59.2 68.99 40.77 8.38E-05 20 4.82E-09 1.28E-08 1.90E-08 03/08/97 Yes Yes 854 172 1060 C 7 H 6 125 59.25 72.08 45.06 8.00E-05 20 3.69E-09 1.17E-08 1.96E-08 03/08/97 Yes Yes 854 172 1060 C 7 H 6 130 59.3 82.21 41.77 8.14E-05 20 1.75E-09 1.30E-08 1.88E-08 03/08/97 Yes Yes 854 172 1060 C 7 H 6 135 59.35 79.16 49.14 7.32E-05 20 1.91E-09 1.02E-08 1.92E-08 03/08/97 Yes Yes 854 172 1060 C 7 H 6 140 59.4 84.63 53.14 7.50E-05 20 8.94E-10 9.72E-09 2.08E-08 03/08/97 Yes Yes 854 172 1060 C 7 H 6 145 59.45 95.35 49.73 7.31E-05 20 -9.34E-10 1.02E-08 1.93E-08 03/08/97 Yes Yes 854 172 1060 C 7 H 6 150 59.5 119.92 52.11 4.81E-05 20 -3.13E-09 5.56E-09 1.32E-08 03/08/97 Yes Yes 854 172 1060 C 7 H 7 0 59.5 62.52 60.5 1.94E-05 20 9.37E-10 1.84E-09 5.87E-09 03/08/97 Yes Yes 856 172 1060 C 7 H 7 5 59.55 87.9 43.83 5.86E-05 20 3.29E-10 9.16E-09 1.41E-08 03/08/97 Yes Yes 856 172 1060 C 7 H 7 10 59.6 104.03 53.75 6.00E-05 20 -1.82E-09 7.47E-09 1.68E-08 03/08/97 Yes Yes 856 172 1060 C 7 H 7 15 59.65 91.97 59.87 4.53E-05 20 -1.66E-10 4.93E-09 1.36E-08 03/08/97 Yes Yes 856 172 1060 C 7 H 7 20 59.7 60.16 60.13 5.25E-05 20 2.76E-09 4.92E-09 1.58E-08 03/08/97 Yes Yes 856 172 1060 C 7 H 7 25 59.75 61.66 66.97 5.25E-05 20 2.07E-09 3.92E-09 1.68E-08 03/08/97 Yes Yes 856 172 1060 C 7 H 7 30 59.8 57.36 66.87 5.47E-05 20 2.46E-09 3.93E-09 1.74E-08 03/08/97 Yes Yes 856 172 1060 C 7 H 7 35 59.85 59.39 65.88 5.25E-05 20 2.32E-09 4.00E-09 1.66E-08 03/08/97 Yes Yes 856 172 1060 C 7 H 7 40 59.9 57.8 58.99 5.74E-05 20 3.34E-09 5.43E-09 1.71E-08 03/08/97 Yes Yes 856 172 1060 C 7 H 7 45 59.95 78.19 67.26 5.44E-05 20 9.13E-10 4.46E-09 1.74E-08 03/08/97 Yes Yes 856 172 1060 C 7 H 7 50 60 111.92 59.17 5.48E-05 20 -2.22E-09 5.65E-09 1.63E-08 03/08/97 Yes Yes 856 172 1060 C 7 H 7 55 60.05 105.52 61.86 5.69E-05 20 -1.52E-09 5.61E-09 1.74E-08 03/08/97 Yes Yes 856 172 1060 C 7 H 7 60 60.1 40.63 82.25 6.41E-05 20 1.39E-09 1.22E-09 2.20E-08 03/08/97 Yes Yes 856 172 1060 C 7 H 7 65 60.15 237.45 75.08 6.93E-05 20 -2.04E-09 -3.26E-09 2.32E-08 03/08/97 Yes Yes 856 172 1060 C 7 H 7 70 60.2 180.48 63.08 3.61E-05 20 -3.47E-09 -3.00E-11 1.12E-08 03/08/97 Yes Yes 856 172 1060 C 7 H 7 75 60.25 103.72 51.53 3.50E-05 20 -1.10E-09 4.59E-09 9.51E-09 03/08/97 Yes Yes 856 172 1060 C 7 H 7 80 60.3 21.85 58.21 3.13E-05 20 3.25E-09 1.33E-09 9.22E-09 03/08/97 Yes Yes 856 172 1060 C 8 H 1 0 60 261.77 51.98 1.47E-04 20 -1.37E-09 -9.72E-09 2.01E-08 03/08/97 Yes Yes 858 172 1060 C 8 H 1 5 60.05 191.42 37.63 1.87E-04 20 -1.54E-08 -3.18E-09 1.98E-08 03/08/97 Yes Yes 858 172 1060 C 8 H 1 10 60.1 276.6 65.73 4.32E-05 20 2.16E-10 -1.91E-09 6.83E-09 03/08/97 Yes Yes 858 172 1060 C 8 H 1 15 60.15 275.41 67.27 8.80E-05 20 3.40E-10 -3.67E-09 1.41E-08 03/08/97 Yes Yes 858 172 1060 C 8 H 1 20 60.2 17.59 33.11 2.64E-04 20 2.23E-08 7.24E-09 2.50E-08 03/08/97 Yes Yes 858 172 1060 C 8 H 1 25 60.25 344.71 20.95 4.41E-04 20 4.21E-08 -1.18E-08 2.73E-08 03/08/97 Yes Yes 858 172 1060 C 8 H 1 30 60.3 78.18 33.77 2.96E-04 20 5.35E-09 2.62E-08 2.86E-08 03/08/97 Yes Yes 858 172 1060 C 8 H 1 35 60.35 91.58 41.67 2.76E-04 20 -6.00E-10 2.23E-08 3.18E-08 03/08/97 Yes Yes 858 172 1060 C 8 H 1 40 60.4 76.15 46.69 2.71E-04 20 4.72E-09 1.96E-08 3.42E-08 03/08/97 Yes Yes 858 172 1060 C 8 H 1 45 60.45 74.59 47.03 2.83E-04 20 5.44E-09 2.02E-08 3.59E-08 03/08/97 Yes Yes 858 172 1060 C 8 H 1 50 60.5 91.15 58.56 2.25E-04 20 -2.50E-10 1.27E-08 3.32E-08 03/08/97 Yes Yes 858 172 1060 C 8 H 1 55 60.55 60.03 59.24 1.99E-04 20 5.38E-09 9.55E-09 2.96E-08 03/08/97 Yes Yes 858 172 1060 C 8 H 1 60 60.6 89.7 58.33 1.86E-04 20 5.47E-11 1.06E-08 2.75E-08 03/08/97 Yes Yes 858 172 1060 C 8 H 1 65 60.65 91.91 55.29 1.66E-04 20 -3.35E-10 1.03E-08 2.37E-08 03/08/97 Yes Yes 858 172 1060 C 8 H 1 70 60.7 73.34 51.82 2.10E-04 20 3.95E-09 1.35E-08 2.87E-08 03/08/97 Yes Yes 858 172 1060 C 8 H 1 75 60.75 90.78 46.96 2.17E-04 20 -2.14E-10 1.60E-08 2.75E-08 03/08/97 Yes Yes 858 172 1060 C 8 H 1 80 60.8 85.06 53.95 1.88E-04 20 1.01E-09 1.20E-08 2.64E-08 03/08/97 Yes Yes 858 172 1060 C 8 H 1 85 60.85 75.05 47.23 2.19E-04 20 4.07E-09 1.56E-08 2.79E-08 03/08/97 Yes Yes 858 172 1060 C 8 H 1 90 60.9 71.41 39.43 2.36E-04 20 6.16E-09 1.87E-08 2.60E-08 03/08/97 Yes Yes 858 172 1060 C 8 H 1 95 60.95 71.64 38.09 2.35E-04 20 6.18E-09 1.90E-08 2.51E-08 03/08/97 Yes Yes 858 172 1060 C 8 H 1 100 61 66.78 40.49 2.06E-04 20 6.55E-09 1.56E-08 2.32E-08 03/08/97 Yes Yes 858 172 1060 C 8 H 1 105 61.05 61.34 53.13 1.38E-04 20 4.22E-09 7.89E-09 1.92E-08 03/08/97 Yes Yes 858 172 1060 C 8 H 1 110 61.1 37.76 68.83 1.06E-04 20 3.22E-09 2.55E-09 1.72E-08 03/08/97 Yes Yes 858 172 1060 C 8 H 1 115 61.15 55.94 66.25 1.26E-04 20 3.02E-09 4.57E-09 2.00E-08 03/08/97 Yes Yes 858 172 1060 C 8 H 1 120 61.2 62.56 57.3 1.75E-04 20 4.62E-09 9.10E-09 2.55E-08 03/08/97 Yes Yes 858 172 1060 C 8 H 1 125 61.25 72.16 64.05 1.66E-04 20 2.36E-09 7.48E-09 2.58E-08 03/08/97 Yes Yes 858 172 1060 C 8 H 1 130 61.3 12.47 62.81 1.87E-04 20 8.87E-09 2.00E-09 2.89E-08 03/08/97 Yes Yes 858 172 1060 C 8 H 1 135 61.35 41.65 70.96 2.85E-04 20 7.36E-09 6.70E-09 4.67E-08 03/08/97 Yes Yes 858 172 1060 C 8 H 1 140 61.4 106.35 39.77 2.47E-04 20 -5.67E-09 1.98E-08 2.74E-08 03/08/97 Yes Yes 858 172 1060 C 8 H 2 0 61.44 20.96 60.66 4.68E-05 20 2.27E-09 8.89E-10 7.07E-09 03/08/97 Yes Yes 860 172 1060 C 8 H 2 5 61.49 62.5 44.27 1.82E-04 20 6.37E-09 1.25E-08 2.20E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 2 10 61.54 70.56 52.57 2.04E-04 20 4.38E-09 1.27E-08 2.81E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 2 15 61.59 76.99 51.79 1.95E-04 20 2.88E-09 1.28E-08 2.66E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 2 20 61.64 70.07 48.4 2.11E-04 20 5.06E-09 1.43E-08 2.73E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 2 25 61.69 84.71 55.9 2.20E-04 20 1.21E-09 1.33E-08 3.16E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 2 30 61.74 88.12 50.12 2.16E-04 20 4.83E-10 1.50E-08 2.88E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 2 35 61.79 87.26 42.54 2.47E-04 20 9.20E-10 1.97E-08 2.89E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 2 40 61.84 77.96 50.23 2.58E-04 20 3.65E-09 1.75E-08 3.44E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 2 45 61.89 70.15 47.68 2.90E-04 20 7.04E-09 1.99E-08 3.72E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 2 50 61.94 64.78 50.92 2.74E-04 20 7.80E-09 1.69E-08 3.68E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 2 55 61.99 67.31 49.26 2.93E-04 20 7.84E-09 1.92E-08 3.85E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 2 60 62.04 76.29 47.22 2.80E-04 20 4.79E-09 2.01E-08 3.57E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 2 65 62.09 69.7 54.31 2.17E-04 20 4.66E-09 1.29E-08 3.06E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 2 70 62.14 66.59 58.75 1.84E-04 20 4.03E-09 9.51E-09 2.73E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 2 75 62.19 61.56 57.85 1.95E-04 20 5.24E-09 9.90E-09 2.86E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 2 80 62.24 64.53 56.25 2.01E-04 20 5.10E-09 1.10E-08 2.90E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 2 85 62.29 72.23 50.36 1.74E-04 20 3.60E-09 1.15E-08 2.33E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 2 90 62.34 70.93 67.18 1.00E-04 20 1.35E-09 3.98E-09 1.60E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 2 95 62.39 352.01 83.53 1.04E-04 20 1.23E-09 -1.77E-10 1.79E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 2 100 62.44 98.96 76.58 1.04E-04 20 -4.00E-10 2.59E-09 1.76E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 2 105 62.49 79.18 70.74 1.12E-04 20 7.39E-10 3.95E-09 1.84E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 2 110 62.54 38.67 60.39 1.33E-04 20 5.43E-09 4.45E-09 2.00E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 2 115 62.59 49.32 63.97 1.62E-04 20 4.91E-09 5.84E-09 2.52E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 2 120 62.64 72.16 65.88 1.53E-04 20 2.03E-09 6.47E-09 2.42E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 2 125 62.69 56.06 57.95 1.49E-04 20 4.68E-09 7.12E-09 2.19E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 2 130 62.74 75.31 50.55 1.42E-04 20 2.43E-09 9.49E-09 1.91E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 2 135 62.79 92.5 50.49 1.23E-04 20 -3.64E-10 8.51E-09 1.65E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 2 140 62.84 69.3 53.33 1.21E-04 20 2.70E-09 7.31E-09 1.68E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 2 145 62.89 60.26 52.28 1.22E-04 20 3.94E-09 7.05E-09 1.68E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 2 150 62.94 76.77 60.93 8.09E-05 20 9.55E-10 4.15E-09 1.23E-08 03/08/97 Yes Yes 860 172 1060 C 8 H 3 0 62.94 54.28 47.38 8.18E-05 20 3.43E-09 4.88E-09 1.04E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 5 62.99 48.19 71.58 1.42E-04 20 3.17E-09 3.63E-09 2.34E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 10 63.04 55.02 69.45 1.18E-04 20 2.51E-09 3.67E-09 1.91E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 15 63.09 81.44 49.78 1.37E-04 20 1.40E-09 9.51E-09 1.82E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 20 63.14 84.93 54.33 1.25E-04 20 6.83E-10 7.87E-09 1.76E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 25 63.19 88.27 46.27 1.59E-04 20 3.52E-10 1.19E-08 1.99E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 30 63.24 79.97 62.15 1.57E-04 20 1.36E-09 7.84E-09 2.41E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 35 63.29 51.76 46.64 1.89E-04 20 8.54E-09 1.11E-08 2.39E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 40 63.34 48.04 41.71 2.27E-04 20 1.20E-08 1.37E-08 2.62E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 45 63.39 39.08 51.42 1.80E-04 20 9.26E-09 7.69E-09 2.45E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 50 63.44 44.2 50.74 1.75E-04 20 8.44E-09 8.39E-09 2.35E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 55 63.49 44.79 38.82 2.51E-04 20 1.47E-08 1.49E-08 2.73E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 60 63.54 43.24 39.06 3.14E-04 20 1.88E-08 1.81E-08 3.43E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 65 63.59 40.45 53.11 2.95E-04 20 1.43E-08 1.24E-08 4.09E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 70 63.64 46.2 62.3 2.46E-04 20 8.38E-09 8.93E-09 3.77E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 75 63.69 23.76 51.49 2.27E-04 20 1.37E-08 6.17E-09 3.08E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 80 63.74 22.91 49.62 2.19E-04 20 1.39E-08 5.99E-09 2.89E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 85 63.79 15.95 52.72 2.25E-04 20 1.39E-08 4.06E-09 3.10E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 90 63.84 28.42 47.18 2.24E-04 20 1.42E-08 7.87E-09 2.85E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 95 63.89 23.98 51.4 1.92E-04 20 1.16E-08 5.28E-09 2.60E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 100 63.94 26.94 51.58 1.55E-04 20 9.09E-09 4.72E-09 2.10E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 105 63.99 40.57 42.34 1.85E-04 20 1.10E-08 9.64E-09 2.16E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 110 64.04 41.57 52.17 1.69E-04 20 8.24E-09 7.48E-09 2.32E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 115 64.09 44.72 47.99 2.10E-04 20 1.06E-08 1.07E-08 2.70E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 120 64.14 58.77 57.72 2.11E-04 20 6.21E-09 1.05E-08 3.10E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 125 64.19 56.78 56.78 2.14E-04 20 6.83E-09 1.07E-08 3.11E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 130 64.24 47.43 50.44 2.69E-04 20 1.23E-08 1.37E-08 3.60E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 135 64.29 51.5 53.88 3.02E-04 20 1.18E-08 1.51E-08 4.24E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 140 64.34 58.92 58.54 3.30E-04 20 9.43E-09 1.60E-08 4.88E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 145 64.39 34.6 44.15 3.42E-04 20 2.15E-08 1.51E-08 4.14E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 3 150 64.44 44.97 43.57 2.19E-04 20 1.19E-08 1.22E-08 2.61E-08 03/08/97 Yes Yes 862 172 1060 C 8 H 4 0 64.44 37.49 37.17 1.51E-04 20 1.01E-08 7.95E-09 1.58E-08 03/08/97 Yes Yes 864 172 1060 C 8 H 4 5 64.49 45.62 33.58 3.94E-04 20 2.44E-08 2.54E-08 3.78E-08 03/08/97 Yes Yes 864 172 1060 C 8 H 4 10 64.54 39.68 38.12 4.52E-04 20 2.91E-08 2.47E-08 4.84E-08 03/08/97 Yes Yes 864 172 1060 C 8 H 4 15 64.59 38.93 41.02 5.33E-04 20 3.32E-08 2.74E-08 6.06E-08 03/08/97 Yes Yes 864 172 1060 C 8 H 4 20 64.64 33.26 40.77 6.66E-04 20 4.47E-08 3.00E-08 7.54E-08 03/08/97 Yes Yes 864 172 1060 C 8 H 4 25 64.69 39.28 39.38 8.65E-04 20 5.49E-08 4.59E-08 9.51E-08 03/08/97 Yes Yes 864 172 1060 C 8 H 4 30 64.74 42.11 37.57 9.73E-04 20 6.07E-08 5.61E-08 1.03E-07 03/08/97 Yes Yes 864 172 1060 C 8 H 4 35 64.79 40.63 36.66 1.02E-03 20 6.61E-08 5.80E-08 1.06E-07 03/08/97 Yes Yes 864 172 1060 C 8 H 4 40 64.84 44.29 34.04 1.21E-03 20 7.62E-08 7.61E-08 1.18E-07 03/08/97 Yes Yes 864 172 1060 C 8 H 4 45 64.89 49.16 42.95 1.03E-03 20 5.23E-08 6.19E-08 1.22E-07 03/08/97 Yes Yes 864 172 1060 C 8 H 4 50 64.94 51.06 38.17 9.16E-04 20 4.80E-08 6.07E-08 9.81E-08 03/08/97 Yes Yes 864 172 1060 C 8 H 4 55 64.99 47.7 34.73 1.18E-03 20 6.93E-08 7.79E-08 1.17E-07 03/08/97 Yes Yes 864 172 1060 C 8 H 4 60 65.04 47.75 38.8 1.04E-03 20 5.75E-08 6.48E-08 1.12E-07 03/08/97 Yes Yes 864 172 1060 C 8 H 4 65 65.09 44.11 35.73 1.04E-03 20 6.42E-08 6.37E-08 1.05E-07 03/08/97 Yes Yes 864 172 1060 C 8 H 4 70 65.14 41.93 35.09 1.14E-03 20 7.34E-08 6.74E-08 1.13E-07 03/08/97 Yes Yes 864 172 1060 C 8 H 4 75 65.19 42.98 38.99 1.01E-03 20 6.08E-08 5.79E-08 1.10E-07 03/08/97 Yes Yes 864 172 1060 C 8 H 4 80 65.24 40.43 36.52 1.03E-03 20 6.69E-08 5.83E-08 1.06E-07 03/08/97 Yes Yes 864 172 1060 C 8 H 4 85 65.29 41.63 38.13 9.79E-04 20 6.11E-08 5.55E-08 1.05E-07 03/08/97 Yes Yes 864 172 1060 C 8 H 4 90 65.34 39.33 37.21 9.75E-04 20 6.37E-08 5.34E-08 1.02E-07 03/08/97 Yes Yes 864 172 1060 C 8 H 4 95 65.39 40.51 37.75 9.55E-04 20 6.09E-08 5.32E-08 1.01E-07 03/08/97 Yes Yes 864 172 1060 C 8 H 4 100 65.44 41.56 37.42 8.67E-04 20 5.47E-08 4.95E-08 9.13E-08 03/08/97 Yes Yes 864 172 1060 C 8 H 4 105 65.49 45.34 33.31 9.44E-04 20 5.88E-08 6.09E-08 8.99E-08 03/08/97 Yes Yes 864 172 1060 C 8 H 4 110 65.54 47.69 32.97 8.68E-04 20 5.20E-08 5.84E-08 8.19E-08 03/08/97 Yes Yes 864 172 1060 C 8 H 4 115 65.59 48.86 28.99 9.61E-04 20 5.87E-08 6.87E-08 8.08E-08 03/08/97 Yes Yes 864 172 1060 C 8 H 4 120 65.64 45.51 29.49 9.53E-04 20 6.17E-08 6.42E-08 8.13E-08 03/08/97 Yes Yes 864 172 1060 C 8 H 4 125 65.69 47.01 34.89 7.37E-04 20 4.37E-08 4.80E-08 7.31E-08 03/08/97 Yes Yes 864 172 1060 C 8 H 4 130 65.74 44.34 32.12 6.69E-04 20 4.30E-08 4.30E-08 6.17E-08 03/08/97 Yes Yes 864 172 1060 C 8 H 4 135 65.79 49.07 29.53 6.30E-04 20 3.81E-08 4.49E-08 5.39E-08 03/08/97 Yes Yes 864 172 1060 C 8 H 4 140 65.84 57.62 29.65 5.13E-04 20 2.53E-08 4.09E-08 4.40E-08 03/08/97 Yes Yes 864 172 1060 C 8 H 4 145 65.89 42.47 32.12 3.26E-04 20 2.16E-08 2.02E-08 3.01E-08 03/08/97 Yes Yes 864 172 1060 C 8 H 4 150 65.94 45.5 27.19 2.27E-04 20 1.50E-08 1.56E-08 1.80E-08 03/08/97 Yes Yes 864 172 1060 C 8 H 5 0 65.94 35.14 29.73 1.57E-04 20 1.19E-08 8.53E-09 1.35E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 5 65.99 39.02 23.7 4.83E-04 20 3.65E-08 3.02E-08 3.37E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 10 66.04 43.89 26.1 5.50E-04 20 3.78E-08 3.71E-08 4.19E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 15 66.09 47.71 30.96 4.84E-04 20 2.96E-08 3.33E-08 4.32E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 20 66.14 50 37.8 3.59E-04 20 1.93E-08 2.36E-08 3.82E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 25 66.19 48.69 35.21 3.92E-04 20 2.24E-08 2.61E-08 3.92E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 30 66.24 51.45 32.37 4.57E-04 20 2.55E-08 3.28E-08 4.24E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 35 66.29 53.86 35.7 3.94E-04 20 2.00E-08 2.81E-08 3.99E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 40 66.34 59.93 38.7 2.96E-04 20 1.23E-08 2.17E-08 3.21E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 45 66.39 48.71 46.24 2.52E-04 20 1.22E-08 1.42E-08 3.16E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 50 66.44 37.58 46.72 2.44E-04 20 1.41E-08 1.11E-08 3.09E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 55 66.49 35.86 50.27 2.41E-04 20 1.33E-08 9.80E-09 3.22E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 60 66.54 39.2 42.77 2.47E-04 20 1.49E-08 1.24E-08 2.91E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 65 66.59 31.68 34.38 2.73E-04 20 2.03E-08 1.28E-08 2.67E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 70 66.64 37.04 37.97 2.63E-04 20 1.76E-08 1.36E-08 2.81E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 75 66.69 42.08 40.2 2.62E-04 20 1.58E-08 1.46E-08 2.93E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 80 66.74 38.01 38.14 2.98E-04 20 1.96E-08 1.56E-08 3.19E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 85 66.79 33.93 42.3 2.95E-04 20 1.92E-08 1.32E-08 3.44E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 90 66.84 31.09 40.7 3.09E-04 20 2.12E-08 1.31E-08 3.49E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 95 66.89 29.03 41.44 3.42E-04 20 2.38E-08 1.35E-08 3.92E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 100 66.94 32.88 36.96 3.83E-04 20 2.73E-08 1.80E-08 3.99E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 105 66.99 33.31 35.09 4.59E-04 20 3.33E-08 2.24E-08 4.58E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 110 67.04 33.52 36.06 5.72E-04 20 4.09E-08 2.77E-08 5.84E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 115 67.09 34.01 37.91 6.40E-04 20 4.44E-08 3.06E-08 6.82E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 120 67.14 30.06 38.53 6.05E-04 20 4.34E-08 2.57E-08 6.53E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 125 67.19 28.41 38.79 5.93E-04 20 4.31E-08 2.38E-08 6.44E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 130 67.24 30.08 41.32 5.84E-04 20 4.02E-08 2.38E-08 6.68E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 135 67.29 27.98 35.84 7.10E-04 20 5.39E-08 2.93E-08 7.20E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 140 67.34 29.82 31.82 8.93E-04 20 6.98E-08 4.09E-08 8.16E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 145 67.39 29.76 29.77 9.46E-04 20 7.56E-08 4.42E-08 8.15E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 5 150 67.44 36.71 39.68 4.95E-04 20 3.24E-08 2.47E-08 5.48E-08 03/08/97 Yes Yes 866 172 1060 C 8 H 6 0 67.44 24.39 32.88 4.23E-04 20 3.43E-08 1.59E-08 3.98E-08 03/08/97 Yes Yes 868 172 1060 C 8 H 6 5 67.49 29.2 26.91 1.12E-03 20 9.27E-08 5.30E-08 8.81E-08 03/08/97 Yes Yes 868 172 1060 C 8 H 6 10 67.54 31.61 29.43 1.27E-03 20 9.97E-08 6.27E-08 1.08E-07 03/08/97 Yes Yes 868 172 1060 C 8 H 6 15 67.59 32.84 31.56 1.19E-03 20 9.00E-08 5.94E-08 1.08E-07 03/08/97 Yes Yes 868 172 1060 C 8 H 6 20 67.64 38.72 35.37 1.05E-03 20 7.05E-08 5.78E-08 1.05E-07 03/08/97 Yes Yes 868 172 1060 C 8 H 6 25 67.69 43.43 38.85 7.95E-04 20 4.77E-08 4.62E-08 8.65E-08 03/08/97 Yes Yes 868 172 1060 C 8 H 6 30 67.74 50 45.62 5.21E-04 20 2.49E-08 3.03E-08 6.46E-08 03/08/97 Yes Yes 868 172 1060 C 8 H 6 35 67.79 43.56 50.45 4.29E-04 20 2.10E-08 2.04E-08 5.74E-08 03/08/97 Yes Yes 868 172 1060 C 8 H 6 40 67.84 32.33 49.84 3.96E-04 20 2.29E-08 1.48E-08 5.25E-08 03/08/97 Yes Yes 868 172 1060 C 8 H 6 45 67.89 30.99 38.22 3.74E-04 20 2.67E-08 1.64E-08 4.01E-08 03/08/97 Yes Yes 868 172 1060 C 8 H 6 50 67.94 31.5 30.24 3.98E-04 20 3.11E-08 1.95E-08 3.47E-08 03/08/97 Yes Yes 868 172 1060 C 8 H 6 55 67.99 30.36 28.88 4.59E-04 20 3.68E-08 2.20E-08 3.84E-08 03/08/97 Yes Yes 868 172 1060 C 8 H 6 60 68.04 31.67 29.3 5.66E-04 20 4.45E-08 2.81E-08 4.80E-08 03/08/97 Yes Yes 868 172 1060 C 8 H 6 65 68.09 28.96 30.89 7.13E-04 20 5.68E-08 3.21E-08 6.35E-08 03/08/97 Yes Yes 868 172 1060 C 8 H 6 70 68.14 34.79 30.09 9.74E-04 20 7.34E-08 5.22E-08 8.46E-08 03/08/97 Yes Yes 868 172 1060 C 8 H 6 75 68.19 35.62 30.52 1.00E-03 20 7.45E-08 5.46E-08 8.83E-08 03/08/97 Yes Yes 868 172 1060 C 8 H 6 80 68.24 32.21 28.46 1.04E-03 20 8.18E-08 5.27E-08 8.56E-08 03/08/97 Yes Yes 868 172 1060 C 8 H 6 85 68.29 33.36 27.94 1.02E-03 20 7.96E-08 5.36E-08 8.26E-08 03/08/97 Yes Yes 868 172 1060 C 8 H 6 90 68.34 36.34 33.14 6.61E-04 20 4.73E-08 3.56E-08 6.26E-08 03/08/97 Yes Yes 868 172 1060 C 8 H 6 95 68.39 31.31 39.42 3.88E-04 20 2.71E-08 1.69E-08 4.27E-08 03/08/97 Yes Yes 868 172 1060 C 8 H 6 100 68.44 20.57 46.65 2.86E-04 20 1.95E-08 7.49E-09 3.61E-08 03/08/97 Yes Yes 868 172 1060 C 8 H 6 105 68.49 17.61 44.82 2.40E-04 20 1.72E-08 5.60E-09 2.94E-08 03/08/97 Yes Yes 868 172 1060 C 8 H 6 110 68.54 35.47 27.33 4.18E-04 20 3.21E-08 2.34E-08 3.32E-08 03/08/97 Yes Yes 868 172 1060 C 8 H 6 115 68.59 42.72 28.45 3.89E-04 20 2.67E-08 2.52E-08 3.21E-08 03/08/97 Yes Yes 868 172 1060 C 8 H 6 120 68.64 32.54 35.49 2.33E-04 20 1.70E-08 1.11E-08 2.34E-08 03/08/97 Yes Yes 868 172 1060 C 8 H 6 125 68.69 30.5 36.2 2.01E-04 20 1.48E-08 8.94E-09 2.06E-08 03/08/97 Yes Yes 868 172 1060 C 8 H 6 130 68.74 32.63 39.83 1.46E-04 20 1.00E-08 6.57E-09 1.62E-08 03/08/97 Yes Yes 868 172 1060 C 8 H 6 135 68.79 21.33 43.59 9.99E-05 20 7.15E-09 2.85E-09 1.19E-08 03/08/97 Yes Yes 868 172 1060 C 8 H 6 140 68.84 24.72 35.19 1.11E-04 20 8.77E-09 4.13E-09 1.11E-08 03/08/97 Yes Yes 868 172 1060 C 8 H 6 145 68.89 32.26 29.36 1.16E-04 20 9.09E-09 5.87E-09 9.88E-09 03/08/97 Yes Yes 868 172 1060 C 8 H 6 150 68.94 22.95 29.59 6.92E-05 20 5.88E-09 2.55E-09 5.93E-09 03/08/97 Yes Yes 868 172 1060 C 8 H 7 0 68.94 31.99 33.28 1.67E-05 20 1.26E-09 8.03E-10 1.59E-09 03/08/97 Yes Yes 870 172 1060 C 8 H 7 5 68.99 29.81 32.57 7.54E-05 20 5.85E-09 3.43E-09 7.04E-09 03/08/97 Yes Yes 870 172 1060 C 8 H 7 10 69.04 57.67 33.2 8.93E-05 20 4.24E-09 6.84E-09 8.47E-09 03/08/97 Yes Yes 870 172 1060 C 8 H 7 15 69.09 43.31 41.71 5.79E-05 20 3.34E-09 3.22E-09 6.68E-09 03/08/97 Yes Yes 870 172 1060 C 8 H 7 20 69.14 13.27 43.58 9.57E-05 20 7.15E-09 1.73E-09 1.14E-08 03/08/97 Yes Yes 870 172 1060 C 8 H 7 25 69.19 18.35 53.79 2.15E-04 20 1.28E-08 4.34E-09 3.01E-08 03/08/97 Yes Yes 870 172 1060 C 8 H 7 30 69.24 103.13 71.42 1.91E-04 20 -1.46E-09 6.42E-09 3.13E-08 03/08/97 Yes Yes 870 172 1060 C 8 H 7 35 69.29 67.12 56.23 1.08E-04 20 2.48E-09 6.01E-09 1.56E-08 03/08/97 Yes Yes 870 172 1060 C 8 H 7 40 69.34 30.67 40.35 1.10E-04 20 7.68E-09 4.66E-09 1.24E-08 03/08/97 Yes Yes 870 172 1060 C 8 H 7 45 69.39 33.56 36.13 1.09E-04 20 7.81E-09 5.30E-09 1.12E-08 03/08/97 Yes Yes 870 172 1060 C 8 H 7 50 69.44 59.95 19.84 9.45E-05 20 4.72E-09 8.35E-09 5.56E-09 03/08/97 Yes Yes 870 172 1060 C 8 H 7 55 69.49 45.24 9.76 1.22E-04 20 8.98E-09 9.26E-09 3.59E-09 03/08/97 Yes Yes 870 172 1060 C 8 H 7 60 69.54 47.28 38.24 1.61E-04 20 9.09E-09 1.01E-08 1.73E-08 03/08/97 Yes Yes 870 172 1060 C 8 H 7 65 69.59 55.07 31.57 2.12E-04 20 1.09E-08 1.60E-08 1.92E-08 03/08/97 Yes Yes 870 172 1060 C 8 H 7 70 69.64 26.58 41.48 1.60E-04 20 1.14E-08 5.81E-09 1.83E-08 03/08/97 Yes Yes 870 172 1060 C 9 H 1 0 69.5 194.18 32.53 3.06E-04 20 -2.65E-08 -6.84E-09 2.85E-08 03/08/97 Yes Yes 872 172 1060 C 9 H 1 5 69.55 131.76 60.06 4.85E-04 20 -1.71E-08 1.96E-08 7.29E-08 03/08/97 Yes Yes 872 172 1060 C 9 H 1 10 69.6 93.03 53.42 9.52E-04 20 -3.18E-09 6.15E-08 1.33E-07 03/08/97 Yes Yes 872 172 1060 C 9 H 1 15 69.65 57.38 35.25 6.50E-04 20 3.04E-08 4.85E-08 6.51E-08 03/08/97 Yes Yes 872 172 1060 C 9 H 1 20 69.7 16.13 33.1 5.90E-04 20 5.04E-08 1.49E-08 5.59E-08 03/08/97 Yes Yes 872 172 1060 C 9 H 1 25 69.75 17.62 42.75 5.53E-04 20 4.10E-08 1.33E-08 6.51E-08 03/08/97 Yes Yes 872 172 1060 C 9 H 1 30 69.8 19.88 66.91 3.46E-04 20 1.35E-08 5.01E-09 5.52E-08 03/08/97 Yes Yes 872 172 1060 C 9 H 1 35 69.85 99.26 72.48 2.53E-04 20 -1.30E-09 8.14E-09 4.17E-08 03/08/97 Yes Yes 872 172 1060 C 9 H 1 40 69.9 22.98 83.04 1.92E-04 20 2.27E-09 9.84E-10 3.30E-08 03/08/97 Yes Yes 872 172 1060 C 9 H 1 45 69.95 13.6 61.81 1.78E-04 20 8.67E-09 2.14E-09 2.72E-08 03/08/97 Yes Yes 872 172 1060 C 9 H 1 50 70 24.12 51.32 1.98E-04 20 1.20E-08 5.49E-09 2.68E-08 03/08/97 Yes Yes 872 172 1060 C 9 H 1 55 70.05 45.59 40.85 1.90E-04 20 1.07E-08 1.12E-08 2.16E-08 03/08/97 Yes Yes 872 172 1060 C 9 H 1 60 70.1 65.74 32.12 1.73E-04 20 6.40E-09 1.45E-08 1.60E-08 03/08/97 Yes Yes 872 172 1060 C 9 H 1 65 70.15 34.17 40.42 1.97E-04 20 1.32E-08 9.14E-09 2.22E-08 03/08/97 Yes Yes 872 172 1060 C 9 H 1 70 70.2 31.21 55.74 2.03E-04 20 1.04E-08 6.42E-09 2.91E-08 03/08/97 Yes Yes 872 172 1060 C 9 H 1 75 70.25 56.45 55.49 2.17E-04 20 7.20E-09 1.11E-08 3.10E-08 03/08/97 Yes Yes 872 172 1060 C 9 H 1 80 70.3 58.04 56.97 1.95E-04 20 5.97E-09 9.79E-09 2.84E-08 03/08/97 Yes Yes 872 172 1060 C 9 H 1 85 70.35 52.21 47.34 2.31E-04 20 1.02E-08 1.34E-08 2.95E-08 03/08/97 Yes Yes 872 172 1060 C 9 H 1 90 70.4 35.35 51.23 2.44E-04 20 1.32E-08 9.58E-09 3.29E-08 03/08/97 Yes Yes 872 172 1060 C 9 H 1 95 70.45 53.75 70.9 2.17E-04 20 4.46E-09 6.22E-09 3.56E-08 03/08/97 Yes Yes 872 172 1060 C 9 H 1 100 70.5 98.9 76.95 1.39E-04 20 -5.15E-10 3.36E-09 2.35E-08 03/08/97 Yes Yes 872 172 1060 C 9 H 1 105 70.55 58.19 39.58 1.49E-04 20 6.42E-09 1.06E-08 1.65E-08 03/08/97 Yes Yes 872 172 1060 C 9 H 1 110 70.6 60.31 32.52 1.61E-04 20 7.12E-09 1.28E-08 1.50E-08 03/08/97 Yes Yes 872 172 1060 C 9 H 1 115 70.65 46.11 32.49 1.91E-04 20 1.18E-08 1.26E-08 1.78E-08 03/08/97 Yes Yes 872 172 1060 C 9 H 1 120 70.7 32.59 36.65 2.40E-04 20 1.72E-08 1.13E-08 2.49E-08 03/08/97 Yes Yes 872 172 1060 C 9 H 1 125 70.75 37.38 34.49 2.57E-04 20 1.79E-08 1.40E-08 2.53E-08 03/08/97 Yes Yes 872 172 1060 C 9 H 1 130 70.8 23.83 63.55 1.91E-04 20 8.24E-09 3.72E-09 2.96E-08 03/08/97 Yes Yes 872 172 1060 C 9 H 1 135 70.85 237.53 69.84 1.07E-04 20 -2.10E-09 -3.38E-09 1.74E-08 03/08/97 Yes Yes 872 172 1060 C 9 H 1 140 70.9 43.76 56.11 6.94E-05 20 2.97E-09 2.90E-09 9.99E-09 03/08/97 Yes Yes 872 172 1060 C 9 H 1 145 70.95 33.64 52.88 6.96E-05 20 3.71E-09 2.52E-09 9.62E-09 03/08/97 Yes Yes 872 172 1060 C 9 H 1 150 71 57.47 33.89 6.11E-05 20 2.89E-09 4.64E-09 5.91E-09 03/08/97 Yes Yes 872 172 1060 C 9 H 2 0 71 317.39 35.35 5.38E-05 20 3.42E-09 -3.22E-09 5.39E-09 03/08/97 Yes Yes 874 172 1060 C 9 H 2 5 71.05 266.94 65.94 1.17E-04 20 -2.72E-10 -5.19E-09 1.86E-08 03/08/97 Yes Yes 874 172 1060 C 9 H 2 10 71.1 86.85 50.05 9.95E-05 20 3.73E-10 6.92E-09 1.32E-08 03/08/97 Yes Yes 874 172 1060 C 9 H 2 15 71.15 39.14 29.56 1.07E-04 20 7.65E-09 6.37E-09 9.15E-09 03/08/97 Yes Yes 874 172 1060 C 9 H 2 20 71.2 29.24 41.2 1.10E-04 20 7.68E-09 4.39E-09 1.26E-08 03/08/97 Yes Yes 874 172 1060 C 9 H 2 25 71.25 63.27 56.93 1.02E-04 20 2.64E-09 5.37E-09 1.48E-08 03/08/97 Yes Yes 874 172 1060 C 9 H 2 30 71.3 40.91 48.81 1.09E-04 20 5.76E-09 5.10E-09 1.42E-08 03/08/97 Yes Yes 874 172 1060 C 9 H 2 35 71.35 23 46.74 1.06E-04 20 7.06E-09 3.06E-09 1.33E-08 03/08/97 Yes Yes 874 172 1060 C 9 H 2 40 71.4 44.62 50.55 1.15E-04 20 5.52E-09 5.57E-09 1.54E-08 03/08/97 Yes Yes 874 172 1060 C 9 H 2 45 71.45 24.19 48.32 1.36E-04 20 8.72E-09 4.01E-09 1.76E-08 03/08/97 Yes Yes 874 172 1060 C 9 H 2 50 71.5 44.54 42.61 1.84E-04 20 1.03E-08 1.03E-08 2.17E-08 03/08/97 Yes Yes 874 172 1060 C 9 H 2 55 71.55 88.82 46.42 1.25E-04 20 1.89E-10 9.38E-09 1.58E-08 03/08/97 Yes Yes 874 172 1060 C 9 H 2 60 71.6 25.85 23.86 8.36E-05 20 7.30E-09 3.62E-09 5.86E-09 03/08/97 Yes Yes 874 172 1060 C 9 H 2 65 71.65 33.11 14.88 1.85E-04 20 1.59E-08 1.06E-08 8.22E-09 03/08/97 Yes Yes 874 172 1060 C 9 H 2 70 71.7 51.33 46.54 1.02E-04 20 4.63E-09 5.92E-09 1.28E-08 03/08/97 Yes Yes 874 172 1060 C 9 H 2 75 71.75 50.59 43.62 1.22E-04 20 5.97E-09 7.43E-09 1.46E-08 03/08/97 Yes Yes 874 172 1060 C 9 H 2 80 71.8 58.99 54.1 1.22E-04 20 3.90E-09 6.64E-09 1.71E-08 03/08/97 Yes Yes 874 172 1060 C 9 H 2 85 71.85 59.26 66.41 9.47E-05 20 2.05E-09 3.53E-09 1.50E-08 03/08/97 Yes Yes 874 172 1060 C 9 H 2 90 71.9 55.24 42.37 1.19E-04 20 5.30E-09 7.81E-09 1.39E-08 03/08/97 Yes Yes 874 172 1060 C 9 H 2 95 71.95 67.66 44.64 7.11E-05 20 2.04E-09 5.07E-09 8.66E-09 03/08/97 Yes Yes 874 172 1060 C 9 H 2 100 72 69.03 26.76 7.98E-05 20 2.70E-09 7.21E-09 6.23E-09 03/08/97 Yes Yes 874 172 1060 C 9 H 2 105 72.05 62.42 31.4 1.06E-04 20 4.45E-09 8.71E-09 9.59E-09 03/08/97 Yes Yes 874 172 1060 C 9 H 2 110 72.1 57.17 41.85 1.12E-04 20 4.79E-09 7.59E-09 1.29E-08 03/08/97 Yes Yes 874 172 1060 C 9 H 2 115 72.15 62.79 45.82 1.06E-04 20 3.60E-09 7.15E-09 1.32E-08 03/08/97 Yes Yes 874 172 1060 C 9 H 2 120 72.2 48.32 45.74 1.28E-04 20 6.31E-09 7.25E-09 1.59E-08 03/08/97 Yes Yes 874 172 1060 C 9 H 2 125 72.25 57.54 52.05 1.44E-04 20 5.03E-09 8.08E-09 1.96E-08 03/08/97 Yes Yes 874 172 1060 C 9 H 2 130 72.3 68.3 59.47 1.20E-04 20 2.40E-09 6.17E-09 1.80E-08 03/08/97 Yes Yes 874 172 1060 C 9 H 2 135 72.35 33.13 49.46 1.50E-04 20 8.67E-09 5.79E-09 1.98E-08 03/08/97 Yes Yes 874 172 1060 C 9 H 2 140 72.4 35.99 45.37 1.95E-04 20 1.17E-08 8.72E-09 2.40E-08 03/08/97 Yes Yes 874 172 1060 C 9 H 2 145 72.45 29.02 62.05 1.67E-04 20 7.25E-09 4.11E-09 2.55E-08 03/08/97 Yes Yes 874 172 1060 C 9 H 2 150 72.5 66.92 53.77 1.16E-04 20 2.86E-09 6.87E-09 1.63E-08 03/08/97 Yes Yes 874 172 1060 C 9 H 3 0 72.5 25.15 46.21 7.02E-05 20 4.67E-09 2.24E-09 8.79E-09 03/08/97 Yes Yes 876 172 1060 C 9 H 3 5 72.55 39.45 46.47 1.62E-04 20 9.15E-09 7.70E-09 2.04E-08 03/08/97 Yes Yes 876 172 1060 C 9 H 3 10 72.6 36.13 59.89 1.47E-04 20 6.34E-09 4.73E-09 2.21E-08 03/08/97 Yes Yes 876 172 1060 C 9 H 3 15 72.65 31.34 55.77 1.68E-04 20 8.56E-09 5.33E-09 2.41E-08 03/08/97 Yes Yes 876 172 1060 C 9 H 3 20 72.7 32.71 50.61 2.18E-04 20 1.23E-08 8.10E-09 2.92E-08 03/08/97 Yes Yes 876 172 1060 C 9 H 3 25 72.75 43.08 44.57 3.65E-04 20 2.01E-08 1.93E-08 4.44E-08 03/08/97 Yes Yes 876 172 1060 C 9 H 3 30 72.8 46.61 44.53 5.25E-04 20 2.73E-08 2.95E-08 6.38E-08 03/08/97 Yes Yes 876 172 1060 C 9 H 3 35 72.85 46.82 40.65 6.13E-04 20 3.38E-08 3.68E-08 6.92E-08 03/08/97 Yes Yes 876 172 1060 C 9 H 3 40 72.9 47.62 38.64 6.73E-04 20 3.76E-08 4.21E-08 7.29E-08 03/08/97 Yes Yes 876 172 1060 C 9 H 3 45 72.95 48.13 38.42 7.70E-04 20 4.27E-08 4.87E-08 8.29E-08 03/08/97 Yes Yes 876 172 1060 C 9 H 3 50 73 42.42 34.56 9.79E-04 20 6.31E-08 5.90E-08 9.62E-08 03/08/97 Yes Yes 876 172 1060 C 9 H 3 55 73.05 49.03 37.48 1.12E-03 20 6.20E-08 7.30E-08 1.19E-07 03/08/97 Yes Yes 876 172 1060 C 9 H 3 60 73.1 41.73 43.37 9.12E-04 20 5.25E-08 4.79E-08 1.09E-07 03/08/97 Yes Yes 876 172 1060 C 9 H 3 65 73.15 40.17 36.74 1.08E-03 20 7.04E-08 6.08E-08 1.12E-07 03/08/97 Yes Yes 876 172 1060 C 9 H 3 70 73.2 43.18 35.27 1.23E-03 20 7.75E-08 7.44E-08 1.23E-07 03/08/97 Yes Yes 876 172 1060 C 9 H 3 75 73.25 44.65 35.75 1.41E-03 20 8.63E-08 8.72E-08 1.43E-07 03/08/97 Yes Yes 876 172 1060 C 9 H 3 80 73.3 43.43 37.15 1.27E-03 20 7.81E-08 7.56E-08 1.33E-07 03/08/97 Yes Yes 876 172 1060 C 9 H 3 85 73.35 39.94 34.77 1.33E-03 20 8.87E-08 7.59E-08 1.31E-07 03/08/97 Yes Yes 876 172 1060 C 9 H 3 90 73.4 42.26 39.91 1.27E-03 20 7.68E-08 7.13E-08 1.42E-07 03/08/97 Yes Yes 876 172 1060 C 9 H 3 95 73.45 41.45 37.72 1.20E-03 20 7.56E-08 6.83E-08 1.28E-07 03/08/97 Yes Yes 876 172 1060 C 9 H 3 100 73.5 43.49 32.25 1.18E-03 20 7.71E-08 7.48E-08 1.10E-07 03/08/97 Yes Yes 876 172 1060 C 9 H 3 105 73.55 39.81 31.25 1.14E-03 20 7.97E-08 6.80E-08 1.03E-07 03/08/97 Yes Yes 876 172 1060 C 9 H 3 110 73.6 41.39 30.77 1.29E-03 20 8.83E-08 7.96E-08 1.15E-07 03/08/97 Yes Yes 876 172 1060 C 9 H 3 115 73.65 39.59 33.02 1.67E-03 20 1.15E-07 9.69E-08 1.58E-07 03/08/97 Yes Yes 876 172 1060 C 9 H 3 120 73.7 39.88 38.87 1.99E-03 20 1.26E-07 1.08E-07 2.16E-07 03/08/97 Yes Yes 876 172 1060 C 9 H 3 125 73.75 42.31 34.69 2.62E-03 20 1.69E-07 1.57E-07 2.59E-07 03/08/97 Yes Yes 876 172 1060 C 9 H 3 130 73.8 42.05 34.85 2.91E-03 20 1.88E-07 1.73E-07 2.88E-07 03/08/97 Yes Yes 876 172 1060 C 9 H 3 135 73.85 47.04 35.76 3.06E-03 20 1.79E-07 1.97E-07 3.10E-07 03/08/97 Yes Yes 876 172 1060 C 9 H 3 140 73.9 51.54 35.69 3.10E-03 20 1.66E-07 2.14E-07 3.14E-07 03/08/97 Yes Yes 876 172 1060 C 9 H 3 145 73.95 50.05 35.85 2.77E-03 20 1.53E-07 1.87E-07 2.82E-07 03/08/97 Yes Yes 876 172 1060 C 9 H 3 150 74 58.63 41.02 1.61E-03 20 6.69E-08 1.12E-07 1.83E-07 03/08/97 Yes Yes 876 172 1060 C 9 H 4 0 74 6.1 60.28 3.84E-04 20 2.01E-08 2.19E-09 5.78E-08 03/08/97 Yes Yes 878 172 1060 C 9 H 4 5 74.05 45.01 31.35 2.03E-03 20 1.30E-07 1.33E-07 1.83E-07 03/08/97 Yes Yes 878 172 1060 C 9 H 4 10 74.1 48.14 32.38 3.02E-03 20 1.81E-07 2.06E-07 2.80E-07 03/08/97 Yes Yes 878 172 1060 C 9 H 4 15 74.15 50.16 36.88 3.31E-03 20 1.80E-07 2.20E-07 3.44E-07 03/08/97 Yes Yes 878 172 1060 C 9 H 4 20 74.2 51.6 40.13 3.62E-03 20 1.83E-07 2.36E-07 4.05E-07 03/08/97 Yes Yes 878 172 1060 C 9 H 4 25 74.25 55.61 37.73 4.25E-03 20 2.01E-07 3.01E-07 4.51E-07 03/08/97 Yes Yes 878 172 1060 C 9 H 4 30 74.3 55.02 37.76 4.95E-03 20 2.38E-07 3.48E-07 5.26E-07 03/08/97 Yes Yes 878 172 1060 C 9 H 4 35 74.35 54.31 41.5 4.32E-03 20 2.00E-07 2.85E-07 4.96E-07 03/08/97 Yes Yes 878 172 1060 C 9 H 4 40 74.4 47.54 39.93 3.79E-03 20 2.08E-07 2.33E-07 4.22E-07 03/08/97 Yes Yes 878 172 1060 C 9 H 4 45 74.45 50 35.69 4.13E-03 20 2.29E-07 2.79E-07 4.18E-07 03/08/97 Yes Yes 878 172 1060 C 9 H 4 50 74.5 53.44 39.24 3.45E-03 20 1.69E-07 2.33E-07 3.78E-07 03/08/97 Yes Yes 878 172 1060 C 9 H 4 55 74.55 52.09 41.96 2.67E-03 20 1.30E-07 1.70E-07 3.10E-07 03/08/97 Yes Yes 878 172 1060 C 9 H 4 60 74.6 49.66 37.17 2.70E-03 20 1.48E-07 1.78E-07 2.83E-07 03/08/97 Yes Yes 878 172 1060 C 9 H 4 65 74.65 53.48 34.07 2.82E-03 20 1.47E-07 2.03E-07 2.74E-07 03/08/97 Yes Yes 878 172 1060 C 9 H 4 70 74.7 54.01 34.95 2.51E-03 20 1.28E-07 1.80E-07 2.49E-07 03/08/97 Yes Yes 878 172 1060 C 9 H 4 75 74.75 56.48 39.45 2.13E-03 20 9.63E-08 1.49E-07 2.35E-07 03/08/97 Yes Yes 878 172 1060 C 9 H 4 80 74.8 62.05 46.33 1.55E-03 20 5.33E-08 1.03E-07 1.95E-07 03/08/97 Yes Yes 878 172 1060 C 9 H 4 85 74.85 55.2 38.2 1.52E-03 20 7.22E-08 1.06E-07 1.63E-07 03/08/97 Yes Yes 878 172 1060 C 9 H 4 90 74.9 50.71 38.31 1.46E-03 20 7.67E-08 9.59E-08 1.56E-07 03/08/97 Yes Yes 878 172 1060 C 9 H 4 95 74.95 50.52 46.31 1.18E-03 20 5.52E-08 6.85E-08 1.49E-07 03/08/97 Yes Yes 878 172 1060 C 9 H 4 100 75 48.86 43.94 1.31E-03 20 6.57E-08 7.69E-08 1.57E-07 03/08/97 Yes Yes 878 172 1060 C 9 H 4 105 75.05 54.61 40.97 1.50E-03 20 6.97E-08 1.00E-07 1.71E-07 03/08/97 Yes Yes 878 172 1060 C 9 H 4 110 75.1 58.25 45.46 1.26E-03 20 4.93E-08 8.14E-08 1.56E-07 03/08/97 Yes Yes 878 172 1060 C 9 H 4 115 75.15 61.7 44.54 1.21E-03 20 4.34E-08 8.23E-08 1.47E-07 03/08/97 Yes Yes 878 172 1060 C 9 H 4 120 75.2 57.47 42.04 1.26E-03 20 5.33E-08 8.54E-08 1.46E-07 03/08/97 Yes Yes 878 172 1060 C 9 H 4 125 75.25 58.25 47.09 1.08E-03 20 4.12E-08 6.80E-08 1.38E-07 03/08/97 Yes Yes 878 172 1060 C 9 H 4 130 75.3 58.4 48.4 9.06E-04 20 3.34E-08 5.56E-08 1.17E-07 03/08/97 Yes Yes 878 172 1060 C 9 H 4 135 75.35 56.83 41.19 9.11E-04 20 3.98E-08 6.23E-08 1.04E-07 03/08/97 Yes Yes 878 172 1060 C 9 H 4 140 75.4 55.22 40.38 9.88E-04 20 4.55E-08 6.70E-08 1.11E-07 03/08/97 Yes Yes 878 172 1060 C 9 H 4 145 75.45 52.87 38.93 1.05E-03 20 5.24E-08 7.08E-08 1.15E-07 03/08/97 Yes Yes 878 172 1060 C 9 H 4 150 75.5 56.09 40.31 8.50E-04 20 3.84E-08 5.83E-08 9.54E-08 03/08/97 Yes Yes 878 172 1060 C 9 H 5 0 75.5 25.05 44.98 2.17E-04 20 1.47E-08 7.04E-09 2.66E-08 03/08/97 Yes Yes 880 172 1060 C 9 H 5 5 75.55 36.67 32.91 7.61E-04 20 5.43E-08 4.14E-08 7.16E-08 03/08/97 Yes Yes 880 172 1060 C 9 H 5 10 75.6 41.5 36.48 7.95E-04 20 5.08E-08 4.60E-08 8.20E-08 03/08/97 Yes Yes 880 172 1060 C 9 H 5 15 75.65 34.67 42.71 6.65E-04 20 4.26E-08 3.01E-08 7.82E-08 03/08/97 Yes Yes 880 172 1060 C 9 H 5 20 75.7 40.92 40.03 7.90E-04 20 4.85E-08 4.30E-08 8.81E-08 03/08/97 Yes Yes 880 172 1060 C 9 H 5 25 75.75 38.14 42.99 7.15E-04 20 4.36E-08 3.50E-08 8.45E-08 03/08/97 Yes Yes 880 172 1060 C 9 H 5 30 75.8 33.76 42.89 6.54E-04 20 4.22E-08 2.89E-08 7.71E-08 03/08/97 Yes Yes 880 172 1060 C 9 H 5 35 75.85 42.16 36.49 7.52E-04 20 4.75E-08 4.40E-08 7.75E-08 03/08/97 Yes Yes 880 172 1060 C 9 H 5 40 75.9 43.69 34.27 8.70E-04 20 5.52E-08 5.39E-08 8.49E-08 03/08/97 Yes Yes 880 172 1060 C 9 H 5 45 75.95 42.86 36.2 8.53E-04 20 5.35E-08 5.08E-08 8.73E-08 03/08/97 Yes Yes 880 172 1060 C 9 H 5 50 76 43.82 35.31 8.54E-04 20 5.33E-08 5.23E-08 8.55E-08 03/08/97 Yes Yes 880 172 1060 C 9 H 5 55 76.05 47.7 34.9 8.67E-04 20 5.08E-08 5.71E-08 8.60E-08 03/08/97 Yes Yes 880 172 1060 C 9 H 5 60 76.1 47.29 36.4 8.85E-04 20 5.12E-08 5.67E-08 9.10E-08 03/08/97 Yes Yes 880 172 1060 C 9 H 5 65 76.15 48.34 40.01 9.34E-04 20 5.04E-08 5.80E-08 1.04E-07 03/08/97 Yes Yes 880 172 1060 C 9 H 5 70 76.2 47.52 39.41 9.87E-04 20 5.46E-08 6.10E-08 1.09E-07 03/08/97 Yes Yes 880 172 1060 C 9 H 5 75 76.25 44.26 42.97 9.62E-04 20 5.35E-08 5.33E-08 1.14E-07 03/08/97 Yes Yes 880 172 1060 C 9 H 5 80 76.3 48.4 40.54 1.06E-03 20 5.68E-08 6.55E-08 1.20E-07 03/08/97 Yes Yes 880 172 1060 C 9 H 5 85 76.35 48.25 38.87 1.28E-03 20 7.01E-08 8.03E-08 1.39E-07 03/08/97 Yes Yes 880 172 1060 C 9 H 5 90 76.4 45.92 40.52 1.34E-03 20 7.54E-08 7.96E-08 1.51E-07 03/08/97 Yes Yes 880 172 1060 C 9 H 5 95 76.45 44.48 36.33 1.72E-03 20 1.05E-07 1.05E-07 1.77E-07 03/08/97 Yes Yes 880 172 1060 C 9 H 5 100 76.5 49.6 36.65 1.96E-03 20 1.08E-07 1.30E-07 2.03E-07 03/08/97 Yes Yes 880 172 1060 C 9 H 5 105 76.55 53.06 44.29 1.48E-03 20 6.77E-08 9.20E-08 1.80E-07 03/08/97 Yes Yes 880 172 1060 C 9 H 5 110 76.6 54.07 48.29 1.10E-03 20 4.55E-08 6.43E-08 1.42E-07 03/08/97 Yes Yes 880 172 1060 C 9 H 5 115 76.65 47.28 40.53 1.37E-03 20 7.49E-08 8.30E-08 1.54E-07 03/08/97 Yes Yes 880 172 1060 C 9 H 5 120 76.7 50.08 40.22 1.70E-03 20 8.81E-08 1.08E-07 1.90E-07 03/08/97 Yes Yes 880 172 1060 C 9 H 5 125 76.75 51.27 38.78 1.84E-03 20 9.50E-08 1.21E-07 1.99E-07 03/08/97 Yes Yes 880 172 1060 C 9 H 5 130 76.8 51.65 39.57 1.81E-03 20 9.18E-08 1.19E-07 2.00E-07 03/08/97 Yes Yes 880 172 1060 C 9 H 5 135 76.85 50.66 40.82 1.50E-03 20 7.63E-08 9.52E-08 1.70E-07 03/08/97 Yes Yes 880 172 1060 C 9 H 5 140 76.9 46.27 39.57 1.36E-03 20 7.66E-08 8.19E-08 1.50E-07 03/08/97 Yes Yes 880 172 1060 C 9 H 5 145 76.95 46.11 38.17 1.21E-03 20 7.02E-08 7.46E-08 1.30E-07 03/08/97 Yes Yes 880 172 1060 C 9 H 5 150 77 55.31 39.79 8.00E-04 20 3.71E-08 5.48E-08 8.88E-08 03/08/97 Yes Yes 880 172 1060 C 9 H 6 0 77 34.68 49.04 4.11E-04 20 2.35E-08 1.66E-08 5.38E-08 03/08/97 Yes Yes 882 172 1060 C 9 H 6 5 77.05 48.2 42.28 1.12E-03 20 5.87E-08 6.71E-08 1.31E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 6 10 77.1 50.76 39.53 1.81E-03 20 9.39E-08 1.18E-07 2.00E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 6 15 77.15 58.63 38.94 2.47E-03 20 1.06E-07 1.78E-07 2.69E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 6 20 77.2 61.77 39.78 2.85E-03 20 1.10E-07 2.09E-07 3.16E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 6 25 77.25 61.71 46.87 2.45E-03 20 8.42E-08 1.60E-07 3.10E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 6 30 77.3 61.93 46.61 2.48E-03 20 8.51E-08 1.63E-07 3.13E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 6 35 77.35 60.19 45.7 2.87E-03 20 1.06E-07 1.89E-07 3.56E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 6 40 77.4 63.24 44.36 3.06E-03 20 1.04E-07 2.12E-07 3.71E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 6 45 77.45 63.05 45.02 2.81E-03 20 9.54E-08 1.92E-07 3.44E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 6 50 77.5 55.52 48.3 2.58E-03 20 1.03E-07 1.53E-07 3.34E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 6 55 77.55 60.9 42.74 3.14E-03 20 1.19E-07 2.19E-07 3.70E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 6 60 77.6 64.38 46.7 2.90E-03 20 9.11E-08 1.94E-07 3.66E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 6 65 77.65 67.52 46.69 2.63E-03 20 7.32E-08 1.81E-07 3.32E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 6 70 77.7 61.25 51.35 2.32E-03 20 7.41E-08 1.38E-07 3.15E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 6 75 77.75 58.48 51.16 2.27E-03 20 7.88E-08 1.31E-07 3.06E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 6 80 77.8 60.31 48.14 2.28E-03 20 8.00E-08 1.43E-07 2.95E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 6 85 77.85 61.36 47.24 2.12E-03 20 7.32E-08 1.37E-07 2.70E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 6 90 77.9 60.65 50.76 1.93E-03 20 6.34E-08 1.15E-07 2.59E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 6 95 77.95 64.01 53.99 1.84E-03 20 5.04E-08 1.06E-07 2.59E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 6 100 78 60.61 50.38 2.08E-03 20 6.91E-08 1.26E-07 2.78E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 6 105 78.05 63.27 48.45 2.70E-03 20 8.55E-08 1.74E-07 3.50E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 6 110 78.1 67.35 45.86 3.24E-03 20 9.21E-08 2.26E-07 4.03E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 6 115 78.15 66.44 43.97 3.55E-03 20 1.08E-07 2.54E-07 4.27E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 6 120 78.2 66.48 47.5 3.13E-03 20 8.96E-08 2.11E-07 4.00E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 6 125 78.25 67.3 48.35 3.01E-03 20 8.19E-08 2.00E-07 3.90E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 6 130 78.3 67.03 48.5 2.72E-03 20 7.47E-08 1.80E-07 3.54E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 6 135 78.35 69.28 46.46 2.65E-03 20 6.86E-08 1.86E-07 3.34E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 6 140 78.4 64.72 46.84 2.53E-03 20 7.82E-08 1.69E-07 3.19E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 6 145 78.45 64.5 43.04 2.41E-03 20 8.03E-08 1.72E-07 2.85E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 6 150 78.5 73.58 41.31 1.23E-03 20 2.77E-08 9.61E-08 1.41E-07 03/08/97 Yes Yes 882 172 1060 C 9 H 7 0 78.5 40.37 36.05 7.92E-04 20 5.17E-08 4.50E-08 8.08E-08 03/08/97 Yes Yes 884 172 1060 C 9 H 7 5 78.55 62.95 36.77 1.28E-03 20 4.93E-08 9.88E-08 1.32E-07 03/08/97 Yes Yes 884 172 1060 C 9 H 7 10 78.6 68.08 44.05 7.69E-04 20 2.19E-08 5.56E-08 9.27E-08 03/08/97 Yes Yes 884 172 1060 C 9 H 7 15 78.65 63.12 48.68 4.83E-04 20 1.53E-08 3.09E-08 6.29E-08 03/08/97 Yes Yes 884 172 1060 C 9 H 7 20 78.7 54.19 57.23 3.49E-04 20 1.17E-08 1.66E-08 5.09E-08 03/08/97 Yes Yes 884 172 1060 C 9 H 7 25 78.75 45.6 58.49 3.50E-04 20 1.36E-08 1.42E-08 5.17E-08 03/08/97 Yes Yes 884 172 1060 C 9 H 7 30 78.8 70.74 58.35 3.71E-04 20 6.81E-09 1.99E-08 5.48E-08 03/08/97 Yes Yes 884 172 1060 C 9 H 7 35 78.85 104.01 67.57 4.22E-04 20 -4.14E-09 1.70E-08 6.77E-08 03/08/97 Yes Yes 884 172 1060 C 9 H 7 40 78.9 211.89 30.47 9.26E-04 20 -7.18E-08 -4.57E-08 8.14E-08 03/08/97 Yes Yes 884 172 1060 C 9 H 7 45 78.95 179.94 76.96 9.18E-04 20 -2.20E-08 2.38E-11 1.55E-07 03/08/97 Yes Yes 884 172 1060 C 9 H 7 50 79 40.35 19.09 1.22E-02 20 9.33E-07 8.11E-07 6.93E-07 03/08/97 Yes Yes 884 172 1060 C 9 H 7 55 79.05 43.59 39.87 1.07E-02 20 6.30E-07 6.13E-07 1.19E-06 03/08/97 Yes Yes 884 172 1060 C 9 H 7 60 79.1 189.69 59.92 2.82E-03 20 -1.48E-07 -2.58E-08 4.24E-07 03/08/97 Yes Yes 884 172 1060 C 9 H 7 65 79.15 207.97 70.31 9.56E-04 20 -3.02E-08 -1.64E-08 1.56E-07 03/08/97 Yes Yes 884 172 1060 C 9 H 7 70 79.2 75.41 49.25 7.78E-04 20 1.36E-08 5.33E-08 1.02E-07 03/08/97 Yes Yes 884 172 1060 C 9 H 7 75 79.25 68.81 31.57 7.59E-04 20 2.48E-08 6.54E-08 6.89E-08 03/08/97 Yes Yes 884 172 1060 C 9 H 7 80 79.3 21.38 42.99 3.91E-04 20 2.82E-08 1.13E-08 4.62E-08 03/08/97 Yes Yes 884 172 1060 C 10 H 1 0 79 25.32 31.34 1.53E-04 20 1.25E-08 6.06E-09 1.38E-08 03/08/97 Yes Yes 886 172 1060 C 10 H 1 5 79.05 8.82 29.86 3.73E-04 20 3.39E-08 5.37E-09 3.22E-08 03/08/97 Yes Yes 886 172 1060 C 10 H 1 10 79.1 11.41 44.43 3.17E-04 20 2.35E-08 4.86E-09 3.85E-08 03/08/97 Yes Yes 886 172 1060 C 10 H 1 15 79.15 1.39 45 2.76E-04 20 2.07E-08 5.15E-10 3.39E-08 03/08/97 Yes Yes 886 172 1060 C 10 H 1 20 79.2 12.45 38.36 3.39E-04 20 2.76E-08 6.22E-09 3.65E-08 03/08/97 Yes Yes 886 172 1060 C 10 H 1 25 79.25 7.99 32.52 3.70E-04 20 3.28E-08 4.70E-09 3.45E-08 03/08/97 Yes Yes 886 172 1060 C 10 H 1 30 79.3 15.8 39.41 2.94E-04 20 2.32E-08 6.71E-09 3.24E-08 03/08/97 Yes Yes 886 172 1060 C 10 H 1 35 79.35 7.56 37.76 2.62E-04 20 2.18E-08 2.95E-09 2.78E-08 03/08/97 Yes Yes 886 172 1060 C 10 H 1 40 79.4 12.78 36.02 2.68E-04 20 2.24E-08 5.20E-09 2.73E-08 03/08/97 Yes Yes 886 172 1060 C 10 H 1 45 79.45 22.37 38.9 2.33E-04 20 1.78E-08 7.50E-09 2.54E-08 03/08/97 Yes Yes 886 172 1060 C 10 H 1 50 79.5 22 62.89 1.31E-04 20 5.88E-09 2.43E-09 2.02E-08 03/08/97 Yes Yes 886 172 1060 C 10 H 1 55 79.55 352.08 54.38 1.11E-04 20 6.80E-09 -9.67E-10 1.57E-08 03/08/97 Yes Yes 886 172 1060 C 10 H 1 60 79.6 343.65 34.33 1.41E-04 20 1.18E-08 -3.55E-09 1.38E-08 03/08/97 Yes Yes 886 172 1060 C 10 H 1 65 79.65 357.27 38.73 1.63E-04 20 1.35E-08 -6.58E-10 1.77E-08 03/08/97 Yes Yes 886 172 1060 C 10 H 1 70 79.7 355.83 54.14 1.64E-04 20 1.02E-08 -7.58E-10 2.30E-08 03/08/97 Yes Yes 886 172 1060 C 10 H 1 75 79.75 20.68 67.45 1.41E-04 20 5.35E-09 2.07E-09 2.25E-08 03/08/97 Yes Yes 886 172 1060 C 10 H 1 80 79.8 61.45 7.18 3.97E-04 20 2.00E-08 3.75E-08 8.60E-09 03/08/97 Yes Yes 886 172 1060 C 10 H 1 85 79.85 13.66 8.97 4.07E-04 20 4.14E-08 1.03E-08 1.10E-08 03/08/97 Yes Yes 886 172 1060 C 10 H 1 90 79.9 10.15 47.35 3.62E-04 20 2.56E-08 4.69E-09 4.61E-08 03/08/97 Yes Yes 886 172 1060 C 10 H 1 95 79.95 73.15 38.17 5.70E-04 20 1.38E-08 4.65E-08 6.11E-08 03/08/97 Yes Yes 886 172 1060 C 10 H 1 100 80 28.49 34.46 4.30E-04 20 3.31E-08 1.84E-08 4.22E-08 03/08/97 Yes Yes 886 172 1060 C 10 H 1 105 80.05 6.39 28.67 4.29E-04 20 3.96E-08 4.54E-09 3.56E-08 03/08/97 Yes Yes 886 172 1060 C 10 H 1 110 80.1 12.22 31.67 4.06E-04 20 3.58E-08 7.94E-09 3.70E-08 03/08/97 Yes Yes 886 172 1060 C 10 H 1 115 80.15 15.35 30.84 3.75E-04 20 3.29E-08 9.23E-09 3.33E-08 03/08/97 Yes Yes 886 172 1060 C 10 H 1 120 80.2 20.46 28.35 3.26E-04 20 2.85E-08 1.09E-08 2.69E-08 03/08/97 Yes Yes 886 172 1060 C 10 H 1 125 80.25 14.59 36.93 1.84E-04 20 1.51E-08 4.01E-09 1.91E-08 03/08/97 Yes Yes 886 172 1060 C 10 H 1 130 80.3 0.46 58.79 1.20E-04 20 6.58E-09 5.45E-11 1.77E-08 03/08/97 Yes Yes 886 172 1060 C 10 H 1 135 80.35 28.25 53.48 1.68E-04 20 9.35E-09 5.14E-09 2.34E-08 03/08/97 Yes Yes 886 172 1060 C 10 H 1 140 80.4 349.72 50.97 1.93E-04 20 1.27E-08 -2.35E-09 2.60E-08 03/08/97 Yes Yes 886 172 1060 C 10 H 1 145 80.45 37.95 64.88 8.91E-05 20 3.16E-09 2.52E-09 1.40E-08 03/08/97 Yes Yes 886 172 1060 C 10 H 1 150 80.5 68.09 -5.68 1.47E-04 20 5.77E-09 1.47E-08 -2.51E-09 03/08/97 Yes Yes 886 172 1060 C 10 H 2 0 80.5 357.73 -22.05 3.56E-04 20 3.50E-08 -1.42E-09 -2.32E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 5 80.55 355.76 14.08 4.00E-04 20 4.10E-08 -3.11E-09 1.68E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 10 80.6 26.63 54.73 1.52E-04 20 8.30E-09 4.26E-09 2.15E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 15 80.65 18.08 80.69 8.21E-05 20 1.34E-09 4.47E-10 1.40E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 20 80.7 20.12 57.04 7.84E-05 20 4.25E-09 1.59E-09 1.14E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 25 80.75 25.6 54.07 8.24E-05 20 4.63E-09 2.27E-09 1.16E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 30 80.8 15.98 41.58 1.15E-04 20 8.78E-09 2.57E-09 1.32E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 35 80.85 13.89 41.23 1.23E-04 20 9.52E-09 2.41E-09 1.41E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 40 80.9 1.1 41.6 1.23E-04 20 9.74E-09 1.91E-10 1.41E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 45 80.95 16.6 39.42 1.37E-04 20 1.07E-08 3.27E-09 1.51E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 50 81 33.91 39.27 1.47E-04 20 1.00E-08 6.90E-09 1.62E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 55 81.05 39.08 43.18 1.38E-04 20 8.29E-09 6.88E-09 1.64E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 60 81.1 6.56 41.97 1.26E-04 20 9.88E-09 1.16E-09 1.46E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 65 81.15 0.35 31.39 1.47E-04 20 1.33E-08 8.38E-11 1.33E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 70 81.2 16.88 39.34 1.46E-04 20 1.15E-08 3.57E-09 1.61E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 75 81.25 15.04 47.84 1.31E-04 20 9.02E-09 2.48E-09 1.69E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 80 81.3 8.59 48.55 1.33E-04 20 9.25E-09 1.43E-09 1.73E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 85 81.35 353.49 44.29 1.63E-04 20 1.23E-08 -1.44E-09 1.97E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 90 81.4 346.19 45.07 1.83E-04 20 1.33E-08 -3.34E-09 2.24E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 95 81.45 8.94 43.53 1.71E-04 20 1.30E-08 2.09E-09 2.04E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 100 81.5 27.43 49.85 1.17E-04 20 7.08E-09 3.76E-09 1.55E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 105 81.55 355.57 38.45 1.49E-04 20 1.24E-08 -9.79E-10 1.61E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 110 81.6 11.07 37.09 1.83E-04 20 1.52E-08 3.05E-09 1.92E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 115 81.65 9.55 44.58 1.75E-04 20 1.31E-08 2.25E-09 2.13E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 120 81.7 352.01 50.53 1.77E-04 20 1.18E-08 -1.69E-09 2.36E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 125 81.75 333.48 39.34 2.53E-04 20 1.86E-08 -9.47E-09 2.78E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 130 81.8 12.79 54.49 2.60E-04 20 1.56E-08 3.63E-09 3.67E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 135 81.85 27.81 41.11 1.93E-04 20 1.36E-08 7.36E-09 2.20E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 140 81.9 20.22 27.13 2.05E-04 20 1.82E-08 6.85E-09 1.62E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 145 81.95 15.6 28.03 1.77E-04 20 1.59E-08 4.55E-09 1.44E-08 03/08/97 Yes Yes 888 172 1060 C 10 H 2 150 82 13.2 40.16 7.76E-05 20 6.12E-09 1.47E-09 8.67E-09 03/08/97 Yes Yes 888 172 1060 C 10 H 3 0 82 0.96 27.23 5.22E-05 20 4.92E-09 8.43E-11 4.14E-09 03/08/97 Yes Yes 890 172 1060 C 10 H 3 5 82.05 349.84 23.39 1.46E-04 20 1.40E-08 -2.57E-09 1.01E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 3 10 82.1 349.6 26.99 1.63E-04 20 1.52E-08 -2.85E-09 1.29E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 3 15 82.15 359.74 33.26 1.54E-04 20 1.37E-08 -6.40E-11 1.47E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 3 20 82.2 6.14 35.11 1.53E-04 20 1.32E-08 1.45E-09 1.52E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 3 25 82.25 2.25 30.28 2.07E-04 20 1.90E-08 7.63E-10 1.81E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 3 30 82.3 0.26 34.17 2.16E-04 20 1.89E-08 8.70E-11 2.10E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 3 35 82.35 359.68 37.89 2.30E-04 20 1.93E-08 -1.11E-10 2.45E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 3 40 82.4 1.4 35.72 2.68E-04 20 2.31E-08 5.78E-10 2.72E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 3 45 82.45 347.79 55.71 1.80E-04 20 1.05E-08 -2.33E-09 2.58E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 3 50 82.5 298.03 45.66 1.61E-04 20 5.61E-09 -1.08E-08 2.00E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 3 55 82.55 239.6 29.2 1.32E-04 20 -6.18E-09 -1.08E-08 1.11E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 3 60 82.6 324.18 25.67 2.13E-04 20 1.65E-08 -1.22E-08 1.60E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 3 65 82.65 324.04 45.07 1.52E-04 20 9.24E-09 -6.85E-09 1.87E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 3 70 82.7 331.79 53.42 1.38E-04 20 7.70E-09 -4.22E-09 1.92E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 3 75 82.75 348.96 50.48 1.32E-04 20 8.77E-09 -1.75E-09 1.77E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 3 80 82.8 344.74 42.85 1.44E-04 20 1.08E-08 -3.02E-09 1.70E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 3 85 82.85 355.48 34.03 1.65E-04 20 1.45E-08 -1.17E-09 1.60E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 3 90 82.9 3.73 36.16 1.63E-04 20 1.39E-08 9.31E-10 1.67E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 3 95 82.95 0.01 28.36 1.85E-04 20 1.73E-08 2.57E-12 1.53E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 3 100 83 355.38 29.03 1.96E-04 20 1.81E-08 -1.50E-09 1.65E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 3 105 83.05 1.11 31.45 1.69E-04 20 1.53E-08 3.03E-10 1.53E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 3 110 83.1 348.86 27.18 1.94E-04 20 1.79E-08 -3.61E-09 1.53E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 3 115 83.15 355.34 30.99 1.71E-04 20 1.55E-08 -1.29E-09 1.53E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 3 120 83.2 352.88 30.12 1.84E-04 20 1.68E-08 -2.15E-09 1.60E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 3 125 83.25 353.69 33.8 1.97E-04 20 1.73E-08 -1.95E-09 1.90E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 3 130 83.3 355.17 36.79 2.03E-04 20 1.72E-08 -1.48E-09 2.11E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 3 135 83.35 354.4 33.68 3.10E-04 20 2.72E-08 -2.73E-09 2.98E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 3 140 83.4 356.5 34.08 3.61E-04 20 3.17E-08 -1.98E-09 3.51E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 3 145 83.45 352.99 35.44 3.39E-04 20 2.90E-08 -3.65E-09 3.40E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 3 150 83.5 355.74 49.3 1.64E-04 20 1.13E-08 -8.60E-10 2.15E-08 03/08/97 Yes Yes 890 172 1060 C 10 H 4 0 83.5 351.06 44.94 1.03E-04 20 7.61E-09 -1.22E-09 1.26E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 5 83.55 351.26 39.13 2.79E-04 20 2.27E-08 -3.57E-09 3.05E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 10 83.6 350.73 38.19 3.82E-04 20 3.15E-08 -5.25E-09 4.10E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 15 83.65 348.35 34.61 5.38E-04 20 4.60E-08 -9.71E-09 5.30E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 20 83.7 349.6 37.7 5.94E-04 20 4.91E-08 -9.20E-09 6.30E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 25 83.75 351.99 40.8 5.83E-04 20 4.64E-08 -6.68E-09 6.61E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 30 83.8 350.83 43.02 4.91E-04 20 3.76E-08 -6.21E-09 5.81E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 35 83.85 345.95 43.43 4.63E-04 20 3.46E-08 -8.86E-09 5.52E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 40 83.9 344.8 40.71 5.00E-04 20 3.88E-08 -1.08E-08 5.65E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 45 83.95 345.42 46.75 4.47E-04 20 3.15E-08 -8.37E-09 5.65E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 50 84 343.9 54.17 3.26E-04 20 1.95E-08 -5.74E-09 4.58E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 55 84.05 343.93 60.32 2.55E-04 20 1.29E-08 -3.79E-09 3.84E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 60 84.1 339.87 56.52 2.29E-04 20 1.26E-08 -4.72E-09 3.31E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 65 84.15 339.07 46.97 2.71E-04 20 1.83E-08 -7.17E-09 3.44E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 70 84.2 346.97 42.03 3.08E-04 20 2.37E-08 -5.60E-09 3.58E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 75 84.25 357.82 46.07 2.88E-04 20 2.12E-08 -8.23E-10 3.60E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 80 84.3 1.42 56.48 2.16E-04 20 1.26E-08 3.20E-10 3.12E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 85 84.35 352.88 53.24 1.90E-04 20 1.20E-08 -1.53E-09 2.65E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 90 84.4 345.57 52.57 1.41E-04 20 8.82E-09 -2.32E-09 1.94E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 95 84.45 346.47 39.22 1.40E-04 20 1.12E-08 -2.76E-09 1.54E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 100 84.5 354.46 36.44 1.51E-04 20 1.28E-08 -1.27E-09 1.55E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 105 84.55 347.02 38.48 1.46E-04 20 1.18E-08 -2.79E-09 1.58E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 110 84.6 345.31 34.94 1.85E-04 20 1.56E-08 -4.17E-09 1.84E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 115 84.65 354.29 32.33 2.49E-04 20 2.22E-08 -2.27E-09 2.31E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 120 84.7 350.66 36.79 2.56E-04 20 2.14E-08 -3.60E-09 2.66E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 125 84.75 346.76 42.34 2.38E-04 20 1.81E-08 -4.36E-09 2.77E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 130 84.8 350.07 42.01 2.32E-04 20 1.80E-08 -3.22E-09 2.69E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 135 84.85 349.34 36.67 2.28E-04 20 1.91E-08 -3.68E-09 2.36E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 140 84.9 352.1 31.25 2.35E-04 20 2.11E-08 -2.99E-09 2.11E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 145 84.95 353.1 28.44 2.37E-04 20 2.20E-08 -2.72E-09 1.96E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 4 150 85 355.01 37.31 1.32E-04 20 1.11E-08 -9.91E-10 1.39E-08 03/08/97 Yes Yes 892 172 1060 C 10 H 5 0 85 2.59 25.95 9.57E-05 20 9.11E-09 4.21E-10 7.26E-09 03/08/97 Yes Yes 894 172 1060 C 10 H 5 5 85.05 348.39 24.18 2.61E-04 20 2.47E-08 -5.19E-09 1.85E-08 03/08/97 Yes Yes 894 172 1060 C 10 H 5 10 85.1 346.3 26.54 2.63E-04 20 2.43E-08 -6.05E-09 2.04E-08 03/08/97 Yes Yes 894 172 1060 C 10 H 5 15 85.15 344.44 29.49 2.22E-04 20 1.97E-08 -5.62E-09 1.90E-08 03/08/97 Yes Yes 894 172 1060 C 10 H 5 20 85.2 338.16 29.14 2.07E-04 20 1.78E-08 -7.29E-09 1.75E-08 03/08/97 Yes Yes 894 172 1060 C 10 H 5 25 85.25 337.87 27.45 2.27E-04 20 1.98E-08 -8.24E-09 1.82E-08 03/08/97 Yes Yes 894 172 1060 C 10 H 5 30 85.3 339.39 27.76 2.34E-04 20 2.06E-08 -7.90E-09 1.89E-08 03/08/97 Yes Yes 894 172 1060 C 10 H 5 35 85.35 345.24 31.22 1.66E-04 20 1.45E-08 -3.92E-09 1.49E-08 03/08/97 Yes Yes 894 172 1060 C 10 H 5 40 85.4 346.98 30.67 1.21E-04 20 1.08E-08 -2.55E-09 1.07E-08 03/08/97 Yes Yes 894 172 1060 C 10 H 5 45 85.45 341.47 27.45 1.43E-04 20 1.28E-08 -4.38E-09 1.14E-08 03/08/97 Yes Yes 894 172 1060 C 10 H 5 50 85.5 341.86 35.46 1.50E-04 20 1.23E-08 -4.13E-09 1.51E-08 03/08/97 Yes Yes 894 172 1060 C 10 H 5 55 85.55 346.25 44.03 1.35E-04 20 9.99E-09 -2.50E-09 1.63E-08 03/08/97 Yes Yes 894 172 1060 C 10 H 5 60 85.6 346.7 44.89 1.29E-04 20 9.42E-09 -2.28E-09 1.58E-08 03/08/97 Yes Yes 894 172 1060 C 10 H 5 65 85.65 354.08 45.19 1.48E-04 20 1.10E-08 -1.17E-09 1.82E-08 03/08/97 Yes Yes 894 172 1060 C 10 H 5 70 85.7 347.5 48.04 1.64E-04 20 1.14E-08 -2.58E-09 2.12E-08 03/08/97 Yes Yes 894 172 1060 C 10 H 5 75 85.75 338.41 43.83 1.95E-04 20 1.38E-08 -5.60E-09 2.34E-08 03/08/97 Yes Yes 894 172 1060 C 10 H 5 80 85.8 341.01 45.75 1.88E-04 20 1.32E-08 -4.63E-09 2.33E-08 03/08/97 Yes Yes 894 172 1060 C 10 H 5 85 85.85 339.62 41.81 1.72E-04 20 1.27E-08 -4.84E-09 1.99E-08 03/08/97 Yes Yes 894 172 1060 C 10 H 5 90 85.9 351.14 40.61 1.53E-04 20 1.22E-08 -1.94E-09 1.73E-08 03/08/97 Yes Yes 894 172 1060 C 10 H 5 95 85.95 359.82 37.97 1.45E-04 20 1.21E-08 -3.99E-11 1.55E-08 03/08/97 Yes Yes 894 172 1060 C 10 H 5 100 86 352.22 33.22 1.65E-04 20 1.45E-08 -2.03E-09 1.57E-08 03/08/97 Yes Yes 894 172 1060 C 10 H 5 105 86.05 355.38 32.66 1.69E-04 20 1.51E-08 -1.25E-09 1.58E-08 03/08/97 Yes Yes 894 172 1060 C 10 H 5 110 86.1 0.54 32.44 1.80E-04 20 1.61E-08 1.56E-10 1.67E-08 03/08/97 Yes Yes 894 172 1060 C 10 H 5 115 86.15 358.34 35.06 1.76E-04 20 1.53E-08 -4.54E-10 1.75E-08 03/08/97 Yes Yes 894 172 1060 C 10 H 5 120 86.2 357.01 39.43 1.60E-04 20 1.31E-08 -6.98E-10 1.76E-08 03/08/97 Yes Yes 894 172 1060 C 10 H 5 125 86.25 350.9 49.08 1.08E-04 20 7.38E-09 -1.21E-09 1.41E-08 03/08/97 Yes Yes 894 172 1060 C 10 H 5 130 86.3 357.06 55.8 8.00E-05 20 4.77E-09 -2.50E-10 1.15E-08 03/08/97 Yes Yes 894 172 1060 C 10 H 5 135 86.35 349.26 49.45 6.78E-05 20 4.59E-09 -8.90E-10 8.92E-09 03/08/97 Yes Yes 894 172 1060 C 10 H 5 140 86.4 342.24 37.48 7.71E-05 20 6.18E-09 -2.02E-09 8.13E-09 03/08/97 Yes Yes 894 172 1060 C 10 H 5 145 86.45 341.79 34.76 9.85E-05 20 8.15E-09 -2.74E-09 9.74E-09 03/08/97 Yes Yes 894 172 1060 C 10 H 5 150 86.5 350.02 50.61 5.16E-05 20 3.42E-09 -6.15E-10 6.91E-09 03/08/97 Yes Yes 894 172 1060 C 10 H 6 0 86.5 8.46 56.34 2.92E-05 20 1.70E-09 2.58E-10 4.21E-09 03/08/97 Yes Yes 896 172 1060 C 10 H 6 5 86.55 336.92 36.85 8.09E-05 20 6.31E-09 -2.75E-09 8.41E-09 03/08/97 Yes Yes 896 172 1060 C 10 H 6 10 86.6 341.85 35.74 1.03E-04 20 8.39E-09 -2.81E-09 1.04E-08 03/08/97 Yes Yes 896 172 1060 C 10 H 6 15 86.65 349.54 36.82 1.14E-04 20 9.50E-09 -1.79E-09 1.18E-08 03/08/97 Yes Yes 896 172 1060 C 10 H 6 20 86.7 342.37 33.46 1.23E-04 20 1.04E-08 -3.38E-09 1.18E-08 03/08/97 Yes Yes 896 172 1060 C 10 H 6 25 86.75 342.56 27.56 1.39E-04 20 1.25E-08 -4.01E-09 1.12E-08 03/08/97 Yes Yes 896 172 1060 C 10 H 6 30 86.8 346.08 39.44 6.67E-05 20 5.30E-09 -1.34E-09 7.35E-09 03/08/97 Yes Yes 896 172 1060 C 10 H 6 35 86.85 154.59 25.35 2.43E-05 20 -2.10E-09 1.02E-09 1.80E-09 03/08/97 Yes Yes 896 172 1060 C 10 H 6 40 86.9 161.01 18.03 1.60E-05 20 -1.53E-09 5.37E-10 8.58E-10 03/08/97 Yes Yes 896 172 1060 C 10 H 6 45 86.95 329.53 41.76 3.07E-05 20 2.09E-09 -1.26E-09 3.54E-09 03/08/97 Yes Yes 896 172 1060 C 10 H 6 50 87 332.64 30.1 1.12E-04 20 9.11E-09 -4.82E-09 9.71E-09 03/08/97 Yes Yes 896 172 1060 C 10 H 6 55 87.05 328.94 33.16 1.24E-04 20 9.45E-09 -5.82E-09 1.18E-08 03/08/97 Yes Yes 896 172 1060 C 10 H 6 60 87.1 335.01 33.88 1.27E-04 20 1.01E-08 -4.83E-09 1.23E-08 03/08/97 Yes Yes 896 172 1060 C 10 H 6 65 87.15 339.46 34.76 1.40E-04 20 1.14E-08 -4.38E-09 1.39E-08 03/08/97 Yes Yes 896 172 1060 C 10 H 6 70 87.2 342.09 33.96 1.43E-04 20 1.20E-08 -3.95E-09 1.38E-08 03/08/97 Yes Yes 896 172 1060 C 10 H 6 75 87.25 343.46 36.34 1.50E-04 20 1.23E-08 -3.72E-09 1.54E-08 03/08/97 Yes Yes 896 172 1060 C 10 H 6 80 87.3 337.5 37.95 1.41E-04 20 1.09E-08 -4.61E-09 1.50E-08 03/08/97 Yes Yes 896 172 1060 C 10 H 6 85 87.35 348.66 33.58 1.34E-04 20 1.16E-08 -2.39E-09 1.29E-08 03/08/97 Yes Yes 896 172 1060 C 10 H 6 90 87.4 342.24 32.54 1.39E-04 20 1.18E-08 -3.87E-09 1.29E-08 03/08/97 Yes Yes 896 172 1060 C 10 H 6 95 87.45 337.28 33.61 1.20E-04 20 9.80E-09 -4.20E-09 1.15E-08 03/08/97 Yes Yes 896 172 1060 C 10 H 6 100 87.5 331.65 31.91 1.18E-04 20 9.36E-09 -5.16E-09 1.08E-08 03/08/97 Yes Yes 896 172 1060 C 10 H 6 105 87.55 333.1 28.38 1.26E-04 20 1.05E-08 -5.44E-09 1.04E-08 03/08/97 Yes Yes 896 172 1060 C 10 H 6 110 87.6 341.73 29.69 1.39E-04 20 1.22E-08 -4.11E-09 1.19E-08 03/08/97 Yes Yes 896 172 1060 C 10 H 6 115 87.65 339.03 31.7 1.39E-04 20 1.17E-08 -4.58E-09 1.26E-08 03/08/97 Yes Yes 896 172 1060 C 10 H 6 120 87.7 333.5 33.94 1.35E-04 20 1.07E-08 -5.43E-09 1.31E-08 03/08/97 Yes Yes 896 172 1060 C 10 H 6 125 87.75 335.38 33.07 1.62E-04 20 1.31E-08 -6.15E-09 1.54E-08 03/08/97 Yes Yes 896 172 1060 C 10 H 6 130 87.8 343.99 30.51 1.93E-04 20 1.70E-08 -4.99E-09 1.70E-08 03/08/97 Yes Yes 896 172 1060 C 10 H 6 135 87.85 351.09 32.02 2.04E-04 20 1.81E-08 -2.90E-09 1.87E-08 03/08/97 Yes Yes 896 172 1060 C 10 H 6 140 87.9 341.83 31.38 2.07E-04 20 1.78E-08 -5.97E-09 1.87E-08 03/08/97 Yes Yes 896 172 1060 C 10 H 6 145 87.95 340.44 32.48 1.42E-04 20 1.20E-08 -4.36E-09 1.32E-08 03/08/97 Yes Yes 896 172 1060 C 10 H 6 150 88 345.95 61.91 4.20E-05 20 2.03E-09 -5.20E-10 6.42E-09 03/08/97 Yes Yes 896 172 1060 C 10 H 7 0 88 33.97 7.22 7.06E-05 20 6.16E-09 4.24E-09 1.54E-09 03/08/97 Yes Yes 898 172 1060 C 10 H 7 5 88.05 338.98 28.85 7.75E-05 20 6.72E-09 -2.64E-09 6.49E-09 03/08/97 Yes Yes 898 172 1060 C 10 H 7 10 88.1 329.35 33.17 6.52E-05 20 4.98E-09 -3.02E-09 6.18E-09 03/08/97 Yes Yes 898 172 1060 C 10 H 7 15 88.15 318.95 37.96 6.04E-05 20 3.81E-09 -3.39E-09 6.45E-09 03/08/97 Yes Yes 898 172 1060 C 10 H 7 20 88.2 332.13 37.71 6.53E-05 20 4.84E-09 -2.62E-09 6.93E-09 03/08/97 Yes Yes 898 172 1060 C 10 H 7 25 88.25 338.39 36.56 6.87E-05 20 5.44E-09 -2.21E-09 7.10E-09 03/08/97 Yes Yes 898 172 1060 C 10 H 7 30 88.3 348.97 38.32 6.76E-05 20 5.52E-09 -1.10E-09 7.26E-09 03/08/97 Yes Yes 898 172 1060 C 10 H 7 35 88.35 336.71 40.15 7.81E-05 20 5.81E-09 -2.56E-09 8.73E-09 03/08/97 Yes Yes 898 172 1060 C 10 H 7 40 88.4 345.85 46.33 6.19E-05 20 4.40E-09 -1.13E-09 7.76E-09 03/08/97 Yes Yes 898 172 1060 C 10 H 7 45 88.45 349.94 59.76 4.97E-05 20 2.61E-09 -4.74E-10 7.44E-09 03/08/97 Yes Yes 898 172 1060 C 10 H 7 50 88.5 335.74 44.29 3.62E-05 20 2.50E-09 -1.15E-09 4.38E-09 03/08/97 Yes Yes 898 172 1060 C 10 H 7 55 88.55 22.03 28.78 5.32E-05 20 4.59E-09 1.90E-09 4.44E-09 03/08/97 Yes Yes 898 172 1060 C 10 H 7 60 88.6 8.74 59.37 5.38E-05 20 2.87E-09 4.52E-10 8.02E-09 03/08/97 Yes Yes 898 172 1060 C 10 H 7 65 88.65 310.21 58.2 7.71E-05 20 2.78E-09 -3.36E-09 1.14E-08 03/08/97 Yes Yes 898 172 1060 C 10 H 7 70 88.7 341.5 54.14 1.18E-04 20 6.96E-09 -2.38E-09 1.66E-08 03/08/97 Yes Yes 898 172 1060 C 10 H 7 75 88.75 318.7 55.3 1.23E-04 20 5.56E-09 -4.99E-09 1.75E-08 03/08/97 Yes Yes 898 172 1060 C 10 H 7 80 88.8 354.69 46.13 1.30E-04 20 9.54E-09 -9.07E-10 1.63E-08 03/08/97 Yes Yes 898 172 1060 C 11 H 1 0 88.5 19.4 45.8 5.75E-04 20 4.01E-08 1.44E-08 7.14E-08 03/08/97 Yes Yes 900 172 1060 C 11 H 1 5 88.55 44.5 36.04 1.69E-03 20 1.03E-07 1.04E-07 1.73E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 1 10 88.6 49.79 34.84 2.33E-03 20 1.31E-07 1.58E-07 2.30E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 1 15 88.65 52.76 42.47 2.10E-03 20 9.96E-08 1.34E-07 2.46E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 1 20 88.7 50.05 42.3 2.12E-03 20 1.07E-07 1.31E-07 2.48E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 1 25 88.75 46.39 45.91 2.10E-03 20 1.07E-07 1.15E-07 2.62E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 1 30 88.8 52.2 46.19 2.11E-03 20 9.49E-08 1.25E-07 2.64E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 1 35 88.85 39.73 42.37 2.55E-03 20 1.53E-07 1.30E-07 2.97E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 1 40 88.9 46.24 39.21 3.27E-03 20 1.86E-07 1.99E-07 3.58E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 1 45 88.95 48.56 37.46 3.61E-03 20 2.01E-07 2.33E-07 3.80E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 1 50 89 49.1 38.55 3.65E-03 20 1.98E-07 2.34E-07 3.95E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 1 55 89.05 47.39 39.01 3.72E-03 20 2.07E-07 2.31E-07 4.06E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 1 60 89.1 47.21 36.76 3.97E-03 20 2.29E-07 2.53E-07 4.12E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 1 65 89.15 49.39 39.17 3.40E-03 20 1.82E-07 2.17E-07 3.72E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 1 70 89.2 44.59 39.27 3.08E-03 20 1.80E-07 1.82E-07 3.38E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 1 75 89.25 44.21 32.86 4.22E-03 20 2.70E-07 2.68E-07 3.97E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 1 80 89.3 48.29 31.89 5.10E-03 20 3.06E-07 3.51E-07 4.67E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 1 85 89.35 48.62 35.61 4.66E-03 20 2.66E-07 3.09E-07 4.71E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 1 90 89.4 49.83 38.61 4.69E-03 20 2.51E-07 3.03E-07 5.07E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 1 95 89.45 50.49 43.8 4.20E-03 20 2.04E-07 2.54E-07 5.04E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 1 100 89.5 44.01 39.18 5.42E-03 20 3.21E-07 3.17E-07 5.94E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 1 105 89.55 44.06 34 8.41E-03 20 5.32E-07 5.26E-07 8.16E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 1 110 89.6 49.67 40.06 7.88E-03 20 4.14E-07 4.99E-07 8.79E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 1 115 89.65 53.34 39.29 5.82E-03 20 2.85E-07 3.92E-07 6.39E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 1 120 89.7 55.46 28.43 6.52E-03 20 3.45E-07 5.12E-07 5.38E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 1 125 89.75 59.37 23.84 7.85E-03 20 3.88E-07 6.70E-07 5.50E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 1 130 89.8 60.76 35.56 4.91E-03 20 2.07E-07 3.78E-07 4.95E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 1 135 89.85 39.51 47.86 4.04E-03 20 2.22E-07 1.87E-07 5.20E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 1 140 89.9 40.31 35.86 7.32E-03 20 4.80E-07 4.16E-07 7.43E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 1 145 89.95 39.17 38.37 7.00E-03 20 4.52E-07 3.76E-07 7.54E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 1 150 90 59.24 52.92 3.26E-03 20 1.06E-07 1.83E-07 4.50E-07 03/08/97 Yes Yes 900 172 1060 C 11 H 2 0 90 18.58 42.55 2.84E-03 20 2.11E-07 7.23E-08 3.33E-07 03/08/97 Yes Yes 902 172 1060 C 11 H 2 5 90.05 40.51 37.79 5.96E-03 20 3.80E-07 3.32E-07 6.34E-07 03/08/97 Yes Yes 902 172 1060 C 11 H 2 10 90.1 51.72 36.68 4.80E-03 20 2.53E-07 3.28E-07 4.97E-07 03/08/97 Yes Yes 902 172 1060 C 11 H 2 15 90.15 58.25 38.63 3.00E-03 20 1.31E-07 2.16E-07 3.25E-07 03/08/97 Yes Yes 902 172 1060 C 11 H 2 20 90.2 52.54 44.63 2.57E-03 20 1.18E-07 1.58E-07 3.13E-07 03/08/97 Yes Yes 902 172 1060 C 11 H 2 25 90.25 54.55 41.88 4.58E-03 20 2.10E-07 3.01E-07 5.30E-07 03/08/97 Yes Yes 902 172 1060 C 11 H 2 30 90.3 63.51 44.36 4.86E-03 20 1.64E-07 3.37E-07 5.89E-07 03/08/97 Yes Yes 902 172 1060 C 11 H 2 35 90.35 56.14 50.08 3.17E-03 20 1.20E-07 1.83E-07 4.21E-07 03/08/97 Yes Yes 902 172 1060 C 11 H 2 40 90.4 49.56 43.6 2.63E-03 20 1.31E-07 1.57E-07 3.15E-07 03/08/97 Yes Yes 902 172 1060 C 11 H 2 45 90.45 57.39 54.51 1.15E-03 20 3.83E-08 6.12E-08 1.63E-07 03/08/97 Yes Yes 902 172 1060 C 11 H 2 50 90.5 31.39 52.5 8.95E-04 20 4.93E-08 3.08E-08 1.23E-07 03/08/97 Yes Yes 902 172 1060 C 11 H 2 55 90.55 41.9 45.47 1.27E-03 20 7.05E-08 6.47E-08 1.57E-07 03/08/97 Yes Yes 902 172 1060 C 11 H 2 60 90.6 53.01 37.28 1.42E-03 20 7.21E-08 9.79E-08 1.49E-07 03/08/97 Yes Yes 902 172 1060 C 11 H 2 65 90.65 56.7 34.37 1.37E-03 20 6.61E-08 1.03E-07 1.35E-07 03/08/97 Yes Yes 902 172 1060 C 11 H 2 70 90.7 56.2 42.09 1.34E-03 20 5.85E-08 8.94E-08 1.55E-07 03/08/97 Yes Yes 902 172 1060 C 11 H 2 75 90.75 63.37 41.72 1.07E-03 20 3.80E-08 7.74E-08 1.23E-07 03/08/97 Yes Yes 902 172 1060 C 11 H 2 80 90.8 51.2 48.95 6.46E-04 20 2.82E-08 3.59E-08 8.44E-08 03/08/97 Yes Yes 902 172 1060 C 11 H 2 85 90.85 50.04 43.53 6.94E-04 20 3.43E-08 4.18E-08 8.29E-08 03/08/97 Yes Yes 902 172 1060 C 11 H 2 90 90.9 52.71 40.89 7.09E-04 20 3.44E-08 4.63E-08 8.05E-08 03/08/97 Yes Yes 902 172 1060 C 11 H 2 95 90.95 49.95 49.21 5.70E-04 20 2.54E-08 3.09E-08 7.48E-08 03/08/97 Yes Yes 902 172 1060 C 11 H 2 100 91 46.49 52.5 5.75E-04 20 2.56E-08 2.75E-08 7.91E-08 03/08/97 Yes Yes 902 172 1060 C 11 H 2 105 91.05 59.9 36.86 1.05E-03 20 4.45E-08 7.85E-08 1.09E-07 03/08/97 Yes Yes 902 172 1060 C 11 H 2 110 91.1 61.28 39.65 9.72E-04 20 3.81E-08 7.12E-08 1.07E-07 03/08/97 Yes Yes 902 172 1060 C 11 H 2 115 91.15 58.12 43.15 9.68E-04 20 3.96E-08 6.50E-08 1.15E-07 03/08/97 Yes Yes 902 172 1060 C 11 H 2 120 91.2 63.68 51.84 9.64E-04 20 2.80E-08 5.79E-08 1.31E-07 03/08/97 Yes Yes 902 172 1060 C 11 H 2 125 91.25 58.42 39.47 1.29E-03 20 5.54E-08 9.22E-08 1.42E-07 03/08/97 Yes Yes 902 172 1060 C 11 H 2 130 91.3 62.85 32.89 1.44E-03 20 5.84E-08 1.17E-07 1.35E-07 03/08/97 Yes Yes 902 172 1060 C 11 H 2 135 91.35 64.51 49.49 5.60E-04 20 1.66E-08 3.56E-08 7.38E-08 03/08/97 Yes Yes 902 172 1060 C 11 H 2 140 91.4 33.85 43.28 4.13E-04 20 2.65E-08 1.82E-08 4.91E-08 03/08/97 Yes Yes 902 172 1060 C 11 H 2 145 91.45 41.19 33.95 4.83E-04 20 3.20E-08 2.86E-08 4.67E-08 03/08/97 Yes Yes 902 172 1060 C 11 H 3 0 91.5 12.04 47.73 1.73E-04 20 1.21E-08 2.64E-09 2.22E-08 03/08/97 Yes Yes 904 172 1060 C 11 H 3 5 91.55 40.02 38.83 5.04E-04 20 3.19E-08 2.74E-08 5.47E-08 03/08/97 Yes Yes 904 172 1060 C 11 H 3 10 91.6 45.37 39.3 5.43E-04 20 3.13E-08 3.25E-08 5.97E-08 03/08/97 Yes Yes 904 172 1060 C 11 H 3 15 91.65 49.69 37.74 4.87E-04 20 2.64E-08 3.19E-08 5.17E-08 03/08/97 Yes Yes 904 172 1060 C 11 H 3 20 91.7 51.72 35.99 4.42E-04 20 2.35E-08 3.04E-08 4.50E-08 03/08/97 Yes Yes 904 172 1060 C 11 H 3 25 91.75 48.16 35.22 4.31E-04 20 2.49E-08 2.85E-08 4.31E-08 03/08/97 Yes Yes 904 172 1060 C 11 H 3 30 91.8 50.18 38.04 4.68E-04 20 2.50E-08 3.07E-08 5.00E-08 03/08/97 Yes Yes 904 172 1060 C 11 H 3 35 91.85 59.67 40.37 4.85E-04 20 1.98E-08 3.46E-08 5.44E-08 03/08/97 Yes Yes 904 172 1060 C 11 H 3 40 91.9 63.93 37.32 5.15E-04 20 1.91E-08 3.99E-08 5.42E-08 03/08/97 Yes Yes 904 172 1060 C 11 H 3 45 91.95 60.83 38.02 5.81E-04 20 2.37E-08 4.33E-08 6.20E-08 03/08/97 Yes Yes 904 172 1060 C 11 H 3 50 92 65.37 44.49 6.57E-04 20 2.07E-08 4.62E-08 7.98E-08 03/08/97 Yes Yes 904 172 1060 C 11 H 3 55 92.05 59.6 50.69 7.01E-04 20 2.38E-08 4.15E-08 9.40E-08 03/08/97 Yes Yes 904 172 1060 C 11 H 3 60 92.1 56.42 48.08 7.95E-04 20 3.12E-08 4.80E-08 1.03E-07 03/08/97 Yes Yes 904 172 1060 C 11 H 3 65 92.15 53.05 44.52 8.73E-04 20 3.97E-08 5.40E-08 1.06E-07 03/08/97 Yes Yes 904 172 1060 C 11 H 3 70 92.2 46.73 45.54 9.24E-04 20 4.70E-08 5.11E-08 1.14E-07 03/08/97 Yes Yes 904 172 1060 C 11 H 3 75 92.25 56.71 45.29 9.30E-04 20 3.81E-08 5.93E-08 1.15E-07 03/08/97 Yes Yes 904 172 1060 C 11 H 3 80 92.3 39.13 46.28 9.33E-04 20 5.30E-08 4.41E-08 1.17E-07 03/08/97 Yes Yes 904 172 1060 C 11 H 3 85 92.35 44.71 48.52 1.02E-03 20 5.10E-08 5.16E-08 1.33E-07 03/08/97 Yes Yes 904 172 1060 C 11 H 3 90 92.4 63.45 48.66 9.10E-04 20 2.85E-08 5.83E-08 1.18E-07 03/08/97 Yes Yes 904 172 1060 C 11 H 3 95 92.45 58.31 48.74 8.77E-04 20 3.22E-08 5.34E-08 1.14E-07 03/08/97 Yes Yes 904 172 1060 C 11 H 3 100 92.5 53.08 49.48 9.80E-04 20 4.06E-08 5.52E-08 1.29E-07 03/08/97 Yes Yes 904 172 1060 C 11 H 3 105 92.55 54.43 45.98 1.13E-03 20 4.83E-08 6.90E-08 1.40E-07 03/08/97 Yes Yes 904 172 1060 C 11 H 3 110 92.6 65.02 54.4 9.97E-04 20 2.60E-08 5.70E-08 1.40E-07 03/08/97 Yes Yes 904 172 1060 C 11 H 3 115 92.65 65.34 55.55 7.30E-04 20 1.83E-08 4.07E-08 1.04E-07 03/08/97 Yes Yes 904 172 1060 C 11 H 3 120 92.7 54.29 41.04 8.48E-04 20 3.96E-08 5.63E-08 9.65E-08 03/08/97 Yes Yes 904 172 1060 C 11 H 3 125 92.75 58.6 33.17 1.32E-03 20 6.08E-08 1.02E-07 1.25E-07 03/08/97 Yes Yes 904 172 1060 C 11 H 3 130 92.8 57.86 36.44 1.55E-03 20 7.04E-08 1.15E-07 1.60E-07 03/08/97 Yes Yes 904 172 1060 C 11 H 3 135 92.85 59.88 42.74 1.31E-03 20 5.11E-08 9.01E-08 1.54E-07 03/08/97 Yes Yes 904 172 1060 C 11 H 3 140 92.9 59.25 45.01 1.16E-03 20 4.45E-08 7.65E-08 1.42E-07 03/08/97 Yes Yes 904 172 1060 C 11 H 3 145 92.95 54.87 39.68 1.19E-03 20 5.57E-08 8.09E-08 1.31E-07 03/08/97 Yes Yes 904 172 1060 C 11 H 3 150 93 61.61 36.89 9.61E-04 20 3.88E-08 7.33E-08 1.00E-07 03/08/97 Yes Yes 904 172 1060 C 11 H 4 0 93 23.15 28.71 4.33E-04 20 3.70E-08 1.62E-08 3.60E-08 03/08/97 Yes Yes 906 172 1060 C 11 H 4 5 93.05 34.24 31.21 9.51E-04 20 7.13E-08 4.96E-08 8.54E-08 03/08/97 Yes Yes 906 172 1060 C 11 H 4 10 93.1 39.52 43.08 7.01E-04 20 4.19E-08 3.53E-08 8.30E-08 03/08/97 Yes Yes 906 172 1060 C 11 H 4 15 93.15 48.75 50.22 5.65E-04 20 2.53E-08 2.95E-08 7.53E-08 03/08/97 Yes Yes 906 172 1060 C 11 H 4 20 93.2 53.77 46.74 6.36E-04 20 2.73E-08 3.81E-08 8.03E-08 03/08/97 Yes Yes 906 172 1060 C 11 H 4 25 93.25 56.71 44.42 7.38E-04 20 3.07E-08 4.78E-08 8.96E-08 03/08/97 Yes Yes 906 172 1060 C 11 H 4 30 93.3 54.68 50.2 7.47E-04 20 2.93E-08 4.23E-08 9.95E-08 03/08/97 Yes Yes 906 172 1060 C 11 H 4 35 93.35 55.45 45.44 9.07E-04 20 3.83E-08 5.68E-08 1.12E-07 03/08/97 Yes Yes 906 172 1060 C 11 H 4 40 93.4 56.97 35.23 1.27E-03 20 5.98E-08 9.41E-08 1.27E-07 03/08/97 Yes Yes 906 172 1060 C 11 H 4 45 93.45 49.22 35.4 1.35E-03 20 7.63E-08 9.05E-08 1.36E-07 03/08/97 Yes Yes 906 172 1060 C 11 H 4 50 93.5 45.17 34.39 1.42E-03 20 8.78E-08 9.03E-08 1.39E-07 03/08/97 Yes Yes 906 172 1060 C 11 H 4 55 93.55 41.2 36.22 1.22E-03 20 7.88E-08 7.05E-08 1.25E-07 03/08/97 Yes Yes 906 172 1060 C 11 H 4 60 93.6 45.85 42.09 8.47E-04 20 4.64E-08 4.89E-08 9.85E-08 03/08/97 Yes Yes 906 172 1060 C 11 H 4 65 93.65 45.31 45.43 7.49E-04 20 3.92E-08 4.05E-08 9.25E-08 03/08/97 Yes Yes 906 172 1060 C 11 H 4 70 93.7 52.91 43.77 9.31E-04 20 4.30E-08 5.82E-08 1.12E-07 03/08/97 Yes Yes 906 172 1060 C 11 H 4 75 93.75 55.9 41.98 1.13E-03 20 4.97E-08 7.51E-08 1.31E-07 03/08/97 Yes Yes 906 172 1060 C 11 H 4 80 93.8 51.99 42.52 1.30E-03 20 6.25E-08 8.17E-08 1.52E-07 03/08/97 Yes Yes 906 172 1060 C 11 H 4 85 93.85 57.88 39.67 1.51E-03 20 6.56E-08 1.07E-07 1.67E-07 03/08/97 Yes Yes 906 172 1060 C 11 H 4 90 93.9 57.46 38.34 1.52E-03 20 6.81E-08 1.09E-07 1.64E-07 03/08/97 Yes Yes 906 172 1060 C 11 H 4 95 93.95 58.34 43.54 1.27E-03 20 5.14E-08 8.53E-08 1.52E-07 03/08/97 Yes Yes 906 172 1060 C 11 H 4 100 94 49.68 47.06 1.13E-03 20 5.29E-08 6.37E-08 1.44E-07 03/08/97 Yes Yes 906 172 1060 C 11 H 4 105 94.05 37.35 40.83 1.44E-03 20 9.18E-08 7.17E-08 1.63E-07 03/08/97 Yes Yes 906 172 1060 C 11 H 4 110 94.1 41.8 34.07 2.08E-03 20 1.37E-07 1.25E-07 2.02E-07 03/08/97 Yes Yes 906 172 1060 C 11 H 4 115 94.15 47.22 36.85 2.26E-03 20 1.30E-07 1.44E-07 2.35E-07 03/08/97 Yes Yes 906 172 1060 C 11 H 4 120 94.2 49.9 39.55 2.14E-03 20 1.13E-07 1.37E-07 2.36E-07 03/08/97 Yes Yes 906 172 1060 C 11 H 4 125 94.25 57.05 35.85 2.34E-03 20 1.09E-07 1.72E-07 2.37E-07 03/08/97 Yes Yes 906 172 1060 C 11 H 4 130 94.3 59.74 32.69 2.77E-03 20 1.25E-07 2.19E-07 2.60E-07 03/08/97 Yes Yes 906 172 1060 C 11 H 4 135 94.35 60.4 28.08 3.75E-03 20 1.74E-07 3.12E-07 3.06E-07 03/08/97 Yes Yes 906 172 1060 C 11 H 4 140 94.4 58.67 28.83 3.57E-03 20 1.72E-07 2.90E-07 2.99E-07 03/08/97 Yes Yes 906 172 1060 C 11 H 4 145 94.45 56.6 31.22 2.87E-03 20 1.44E-07 2.23E-07 2.58E-07 03/08/97 Yes Yes 906 172 1060 C 11 H 4 150 94.5 71.6 36.46 1.67E-03 20 4.50E-08 1.38E-07 1.72E-07 03/08/97 Yes Yes 906 172 1060 C 11 H 5 0 94.5 46.47 34.04 1.21E-03 20 7.32E-08 7.88E-08 1.17E-07 03/08/97 Yes Yes 908 172 1060 C 11 H 5 5 94.55 58.89 26.06 3.86E-03 20 1.90E-07 3.22E-07 2.94E-07 03/08/97 Yes Yes 908 172 1060 C 11 H 5 10 94.6 65.11 32.6 4.04E-03 20 1.52E-07 3.35E-07 3.77E-07 03/08/97 Yes Yes 908 172 1060 C 11 H 5 15 94.65 70.66 34.55 2.98E-03 20 8.61E-08 2.51E-07 2.93E-07 03/08/97 Yes Yes 908 172 1060 C 11 H 5 20 94.7 63.12 41.06 1.71E-03 20 6.18E-08 1.25E-07 1.95E-07 03/08/97 Yes Yes 908 172 1060 C 11 H 5 25 94.75 59.7 41.68 1.34E-03 20 5.36E-08 9.37E-08 1.55E-07 03/08/97 Yes Yes 908 172 1060 C 11 H 5 30 94.8 53.54 44.87 1.35E-03 20 6.04E-08 8.36E-08 1.65E-07 03/08/97 Yes Yes 908 172 1060 C 11 H 5 35 94.85 49.87 41.5 1.73E-03 20 8.87E-08 1.08E-07 1.99E-07 03/08/97 Yes Yes 908 172 1060 C 11 H 5 40 94.9 48.43 39.65 2.19E-03 20 1.19E-07 1.37E-07 2.42E-07 03/08/97 Yes Yes 908 172 1060 C 11 H 5 45 94.95 60.13 40.93 2.27E-03 20 9.05E-08 1.61E-07 2.58E-07 03/08/97 Yes Yes 908 172 1060 C 11 H 5 50 95 60.64 43.33 1.76E-03 20 6.65E-08 1.21E-07 2.09E-07 03/08/97 Yes Yes 908 172 1060 C 11 H 5 55 95.05 58.89 39.89 1.79E-03 20 7.54E-08 1.28E-07 1.99E-07 03/08/97 Yes Yes 908 172 1060 C 11 H 5 60 95.1 58.85 39.48 1.85E-03 20 7.85E-08 1.33E-07 2.04E-07 03/08/97 Yes Yes 908 172 1060 C 11 H 5 65 95.15 60.49 38.47 1.87E-03 20 7.63E-08 1.38E-07 2.01E-07 03/08/97 Yes Yes 908 172 1060 C 11 H 5 70 95.2 62.88 37.79 1.97E-03 20 7.54E-08 1.51E-07 2.10E-07 03/08/97 Yes Yes 908 172 1060 C 11 H 5 75 95.25 65.15 37.23 2.02E-03 20 7.18E-08 1.59E-07 2.12E-07 03/08/97 Yes Yes 908 172 1060 C 11 H 5 80 95.3 66.26 36.59 1.88E-03 20 6.46E-08 1.50E-07 1.95E-07 03/08/97 Yes Yes 908 172 1060 C 11 H 5 85 95.35 67.85 35.41 1.60E-03 20 5.23E-08 1.31E-07 1.61E-07 03/08/97 Yes Yes 908 172 1060 C 11 H 5 90 95.4 65.42 35.78 1.38E-03 20 4.93E-08 1.10E-07 1.40E-07 03/08/97 Yes Yes 908 172 1060 C 11 H 5 95 95.45 61.6 35.93 1.35E-03 20 5.53E-08 1.05E-07 1.38E-07 03/08/97 Yes Yes 908 172 1060 C 11 H 5 100 95.5 61.08 34.81 1.55E-03 20 6.53E-08 1.21E-07 1.53E-07 03/08/97 Yes Yes 908 172 1060 C 11 H 5 105 95.55 58.72 34.42 1.58E-03 20 7.16E-08 1.21E-07 1.54E-07 03/08/97 Yes Yes 908 172 1060 C 11 H 5 110 95.6 54.7 31.22 1.50E-03 20 7.86E-08 1.13E-07 1.35E-07 03/08/97 Yes Yes 908 172 1060 C 11 H 5 115 95.65 55.37 31.08 1.22E-03 20 6.29E-08 9.31E-08 1.09E-07 03/08/97 Yes Yes 908 172 1060 C 11 H 5 120 95.7 56.37 29.39 1.16E-03 20 5.92E-08 9.11E-08 9.85E-08 03/08/97 Yes Yes 908 172 1060 C 11 H 5 125 95.75 59.71 27.84 1.04E-03 20 4.94E-08 8.64E-08 8.45E-08 03/08/97 Yes Yes 908 172 1060 C 11 H 5 130 95.8 56.86 22.69 1.05E-03 20 5.62E-08 8.80E-08 7.02E-08 03/08/97 Yes Yes 908 172 1060 C 11 H 5 135 95.85 50.05 29.53 9.66E-04 20 5.72E-08 6.99E-08 8.25E-08 03/08/97 Yes Yes 908 172 1060 C 11 H 5 140 95.9 50.69 43.66 5.61E-04 20 2.73E-08 3.40E-08 6.71E-08 03/08/97 Yes Yes 908 172 1060 C 11 H 5 145 95.95 47.99 46.72 3.54E-04 20 1.72E-08 1.96E-08 4.47E-08 03/08/97 Yes Yes 908 172 1060 C 11 H 6 0 96 46.69 36.53 1.02E-04 20 5.95E-09 6.45E-09 1.05E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 5 96.05 54.37 34.94 2.64E-04 20 1.34E-08 1.91E-08 2.62E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 10 96.1 57.65 40.57 2.36E-04 20 1.02E-08 1.64E-08 2.66E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 15 96.15 53.59 38.03 2.04E-04 20 1.01E-08 1.40E-08 2.18E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 20 96.2 48.27 37.72 2.15E-04 20 1.20E-08 1.38E-08 2.28E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 25 96.25 47.71 40.31 2.28E-04 20 1.24E-08 1.40E-08 2.56E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 30 96.3 50.27 42.34 2.37E-04 20 1.19E-08 1.46E-08 2.77E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 35 96.35 52.83 45.2 2.32E-04 20 1.05E-08 1.41E-08 2.85E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 40 96.4 49.61 50.06 2.17E-04 20 9.58E-09 1.15E-08 2.89E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 45 96.45 47.66 44.99 2.49E-04 20 1.26E-08 1.41E-08 3.05E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 50 96.5 49.32 41.91 2.89E-04 20 1.49E-08 1.77E-08 3.34E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 55 96.55 50.85 44.04 2.98E-04 20 1.44E-08 1.80E-08 3.59E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 60 96.6 54.04 45.74 2.44E-04 20 1.06E-08 1.49E-08 3.03E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 65 96.65 44.45 44.14 1.87E-04 20 1.02E-08 1.02E-08 2.26E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 70 96.7 49.84 41.18 1.67E-04 20 8.60E-09 1.04E-08 1.91E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 75 96.75 55.81 44.9 1.43E-04 20 6.03E-09 9.07E-09 1.75E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 80 96.8 67.46 42.72 1.45E-04 20 4.32E-09 1.06E-08 1.70E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 85 96.85 62.49 42.6 1.59E-04 20 5.72E-09 1.12E-08 1.86E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 90 96.9 65.83 47.27 1.77E-04 20 5.22E-09 1.19E-08 2.26E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 95 96.95 73.79 42.1 2.12E-04 20 4.67E-09 1.64E-08 2.47E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 100 97 72.42 46.82 2.08E-04 20 4.57E-09 1.47E-08 2.63E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 105 97.05 64.38 47.19 2.39E-04 20 7.45E-09 1.59E-08 3.04E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 110 97.1 62.15 41.61 2.76E-04 20 1.02E-08 1.98E-08 3.17E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 115 97.15 59.9 43.71 2.58E-04 20 9.91E-09 1.75E-08 3.09E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 120 97.2 59.28 48.17 2.22E-04 20 8.04E-09 1.38E-08 2.87E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 125 97.25 60.84 47.58 2.20E-04 20 7.69E-09 1.41E-08 2.82E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 130 97.3 57.41 49.35 2.67E-04 20 9.92E-09 1.59E-08 3.51E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 135 97.35 58.16 50.12 2.79E-04 20 1.00E-08 1.65E-08 3.71E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 140 97.4 51.11 43.56 2.92E-04 20 1.41E-08 1.78E-08 3.48E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 145 97.45 49.49 44.31 2.71E-04 20 1.33E-08 1.60E-08 3.28E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 6 150 97.5 58.93 62.02 1.33E-04 20 3.41E-09 5.79E-09 2.03E-08 03/08/97 Yes Yes 910 172 1060 C 11 H 7 0 97.5 46.48 36.28 1.21E-04 20 7.14E-09 7.69E-09 1.24E-08 03/08/97 Yes Yes 912 172 1060 C 11 H 7 5 97.55 46.47 35.12 2.70E-04 20 1.61E-08 1.73E-08 2.69E-08 03/08/97 Yes Yes 912 172 1060 C 11 H 7 10 97.6 56.28 40.84 2.44E-04 20 1.09E-08 1.67E-08 2.77E-08 03/08/97 Yes Yes 912 172 1060 C 11 H 7 15 97.65 62.94 47 1.86E-04 20 6.11E-09 1.22E-08 2.36E-08 03/08/97 Yes Yes 912 172 1060 C 11 H 7 20 97.7 54.97 50.41 1.43E-04 20 5.55E-09 8.09E-09 1.91E-08 03/08/97 Yes Yes 912 172 1060 C 11 H 7 25 97.75 49.75 48.48 1.41E-04 20 6.42E-09 7.76E-09 1.84E-08 03/08/97 Yes Yes 912 172 1060 C 11 H 7 30 97.8 58.54 41.14 1.82E-04 20 7.61E-09 1.27E-08 2.08E-08 03/08/97 Yes Yes 912 172 1060 C 11 H 7 35 97.85 62.82 41.56 1.87E-04 20 6.76E-09 1.35E-08 2.15E-08 03/08/97 Yes Yes 912 172 1060 C 11 H 7 40 97.9 64.52 41.42 1.79E-04 20 6.12E-09 1.31E-08 2.05E-08 03/08/97 Yes Yes 912 172 1060 C 11 H 7 45 97.95 63.08 42.56 1.46E-04 20 5.17E-09 1.04E-08 1.72E-08 03/08/97 Yes Yes 912 172 1060 C 11 H 7 50 98 51.02 48.61 1.30E-04 20 5.75E-09 7.26E-09 1.69E-08 03/08/97 Yes Yes 912 172 1060 C 11 H 7 55 98.05 53.77 40.05 1.48E-04 20 7.09E-09 9.90E-09 1.65E-08 03/08/97 Yes Yes 912 172 1060 C 11 H 7 60 98.1 15.87 48.38 1.64E-04 20 1.11E-08 3.24E-09 2.13E-08 03/08/97 Yes Yes 912 172 1060 C 11 H 7 65 98.15 44.13 45.94 2.91E-04 20 1.54E-08 1.53E-08 3.63E-08 03/08/97 Yes Yes 912 172 1060 C 11 H 7 70 98.2 68.86 37.52 3.85E-04 20 1.17E-08 3.09E-08 4.07E-08 03/08/97 Yes Yes 912 172 1060 C 11 H 7 75 98.25 65.62 38.8 3.84E-04 20 1.31E-08 2.96E-08 4.17E-08 03/08/97 Yes Yes 912 172 1060 C 11 H 7 80 98.3 62.6 34.39 4.44E-04 20 1.79E-08 3.53E-08 4.35E-08 03/08/97 Yes Yes 912 172 1060 C 11 H 7 85 98.35 60.78 32.7 4.94E-04 20 2.15E-08 3.93E-08 4.62E-08 03/08/97 Yes Yes 912 172 1060 C 12 H 1 0 98 354.85 25.29 2.59E-04 20 2.47E-08 -2.28E-09 1.92E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 5 98.05 16.8 33.01 4.16E-04 20 3.55E-08 1.09E-08 3.93E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 10 98.1 32.68 47.62 3.67E-04 20 2.21E-08 1.45E-08 4.71E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 15 98.15 60.45 48.99 3.13E-04 20 1.08E-08 1.94E-08 4.10E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 20 98.2 48.88 47.13 2.78E-04 20 1.32E-08 1.54E-08 3.53E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 25 98.25 42.26 33.58 5.58E-04 20 3.65E-08 3.39E-08 5.35E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 30 98.3 47.49 33.27 8.54E-04 20 5.12E-08 5.71E-08 8.12E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 35 98.35 48.38 37.65 8.44E-04 20 4.71E-08 5.42E-08 8.94E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 40 98.4 46.14 38.7 7.65E-04 20 4.39E-08 4.67E-08 8.29E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 45 98.45 42.13 42.56 6.61E-04 20 3.83E-08 3.54E-08 7.75E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 50 98.5 44.83 34.81 8.57E-04 20 5.29E-08 5.38E-08 8.48E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 55 98.55 46.04 35.02 8.32E-04 20 5.01E-08 5.32E-08 8.27E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 60 98.6 50.63 37.88 6.38E-04 20 3.39E-08 4.22E-08 6.79E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 65 98.65 50.72 42.4 4.88E-04 20 2.42E-08 3.03E-08 5.70E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 70 98.7 44.22 39.35 5.43E-04 20 3.19E-08 3.17E-08 5.97E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 75 98.75 41.72 36.51 7.09E-04 20 4.51E-08 4.11E-08 7.31E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 80 98.8 41.48 39.7 7.38E-04 20 4.51E-08 4.08E-08 8.17E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 85 98.85 39.33 36.05 8.70E-04 20 5.77E-08 4.83E-08 8.87E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 90 98.9 41.36 33.41 8.71E-04 20 5.79E-08 5.21E-08 8.31E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 95 98.95 39.72 37.09 4.93E-04 20 3.21E-08 2.72E-08 5.15E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 100 99 43.11 30.71 3.88E-04 20 2.59E-08 2.48E-08 3.44E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 105 99.05 49.05 17.52 4.80E-04 20 3.19E-08 3.75E-08 2.51E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 110 99.1 38.26 31.73 3.53E-04 20 2.50E-08 2.02E-08 3.22E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 115 99.15 42.24 41.52 3.26E-04 20 1.92E-08 1.78E-08 3.74E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 120 99.2 50.76 31.23 4.20E-04 20 2.41E-08 3.02E-08 3.78E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 125 99.25 41.43 37.33 4.23E-04 20 2.68E-08 2.42E-08 4.45E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 130 99.3 47.09 38.92 3.56E-04 20 2.00E-08 2.20E-08 3.87E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 135 99.35 43.35 36.7 3.33E-04 20 2.06E-08 1.99E-08 3.45E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 140 99.4 46.44 33.54 3.69E-04 20 2.25E-08 2.41E-08 3.53E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 145 99.45 45.54 29.67 3.94E-04 20 2.54E-08 2.65E-08 3.38E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 1 150 99.5 59.64 41.16 1.72E-04 20 6.93E-09 1.21E-08 1.96E-08 03/08/97 Yes Yes 914 172 1060 C 12 H 2 0 99.5 33.49 31.5 1.34E-04 20 1.01E-08 6.86E-09 1.22E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 2 5 99.55 44.31 28.67 3.76E-04 20 2.50E-08 2.50E-08 3.12E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 2 10 99.6 45.28 32.3 3.92E-04 20 2.47E-08 2.55E-08 3.63E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 2 15 99.65 40.96 36.15 3.61E-04 20 2.33E-08 2.07E-08 3.69E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 2 20 99.7 42.48 37.9 3.53E-04 20 2.18E-08 2.04E-08 3.76E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 2 25 99.75 46.34 40.56 3.15E-04 20 1.75E-08 1.88E-08 3.55E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 2 30 99.8 45.47 41.82 2.73E-04 20 1.52E-08 1.58E-08 3.16E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 2 35 99.85 37.1 49.63 2.26E-04 20 1.24E-08 9.56E-09 2.98E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 2 40 99.9 43.57 42.92 2.46E-04 20 1.38E-08 1.35E-08 2.90E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 2 45 99.95 50.78 43.61 2.49E-04 20 1.21E-08 1.51E-08 2.97E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 2 50 100 57.01 42.96 2.12E-04 20 8.94E-09 1.41E-08 2.50E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 2 55 100.05 35.39 48.38 1.63E-04 20 9.36E-09 6.80E-09 2.11E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 2 60 100.1 38.31 63.15 1.31E-04 20 4.94E-09 3.99E-09 2.03E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 2 65 100.15 44.96 44.68 2.01E-04 20 1.07E-08 1.10E-08 2.45E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 2 70 100.2 47.9 41.22 2.89E-04 20 1.54E-08 1.75E-08 3.30E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 2 75 100.25 55.38 42.35 3.27E-04 20 1.46E-08 2.16E-08 3.82E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 2 80 100.3 47.26 40.21 3.25E-04 20 1.79E-08 1.98E-08 3.64E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 2 85 100.35 41.06 38.04 3.70E-04 20 2.33E-08 2.07E-08 3.95E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 2 90 100.4 53.4 39 3.43E-04 20 1.68E-08 2.32E-08 3.74E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 2 95 100.45 45.08 43.72 3.02E-04 20 1.63E-08 1.68E-08 3.62E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 2 100 100.5 50.91 48.63 2.77E-04 20 1.22E-08 1.54E-08 3.60E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 2 105 100.55 64.47 48.6 2.53E-04 20 7.65E-09 1.64E-08 3.29E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 2 110 100.6 45.3 55.05 2.18E-04 20 9.33E-09 9.64E-09 3.10E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 2 115 100.65 51.27 47.33 2.62E-04 20 1.18E-08 1.50E-08 3.34E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 2 120 100.7 46.67 43.18 3.19E-04 20 1.69E-08 1.84E-08 3.78E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 2 125 100.75 52.24 45.95 3.32E-04 20 1.50E-08 1.98E-08 4.14E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 2 130 100.8 44.97 47.14 2.97E-04 20 1.52E-08 1.55E-08 3.78E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 2 135 100.85 40.73 40.34 3.04E-04 20 1.86E-08 1.64E-08 3.41E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 2 140 100.9 40.52 35.97 3.17E-04 20 2.07E-08 1.81E-08 3.23E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 2 145 100.95 53.88 37.03 2.61E-04 20 1.30E-08 1.83E-08 2.73E-08 03/08/97 Yes Yes 916 172 1060 C 12 H 3 0 101 31.22 38.65 1.84E-04 20 1.30E-08 8.08E-09 1.99E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 5 101.05 40.58 38.79 3.74E-04 20 2.35E-08 2.06E-08 4.07E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 10 101.1 42.1 37.87 4.03E-04 20 2.51E-08 2.32E-08 4.29E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 15 101.15 41.73 39.3 3.52E-04 20 2.15E-08 1.97E-08 3.86E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 20 101.2 37.37 40.43 3.39E-04 20 2.17E-08 1.70E-08 3.81E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 25 101.25 38.26 33.98 3.96E-04 20 2.74E-08 2.21E-08 3.84E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 30 101.3 40.75 29.45 4.43E-04 20 3.10E-08 2.73E-08 3.78E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 35 101.35 47.38 33.67 3.05E-04 20 1.82E-08 2.03E-08 2.93E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 40 101.4 234.33 70.11 8.60E-05 20 -1.81E-09 -2.58E-09 1.40E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 45 101.45 25.13 38.89 1.60E-04 20 1.19E-08 5.73E-09 1.74E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 50 101.5 50.86 23.34 4.17E-04 20 2.56E-08 3.22E-08 2.86E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 55 101.55 54.58 30.25 3.95E-04 20 2.10E-08 3.01E-08 3.45E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 60 101.6 48.63 33.23 3.52E-04 20 2.06E-08 2.40E-08 3.34E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 65 101.65 51.81 30.37 3.70E-04 20 2.09E-08 2.72E-08 3.24E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 70 101.7 50.53 36.08 3.41E-04 20 1.86E-08 2.31E-08 3.48E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 75 101.75 40.66 40.56 3.27E-04 20 2.00E-08 1.75E-08 3.68E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 80 101.8 38.36 42.8 3.18E-04 20 1.94E-08 1.57E-08 3.75E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 85 101.85 36.07 41.9 2.92E-04 20 1.86E-08 1.39E-08 3.38E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 90 101.9 40.33 38.62 2.78E-04 20 1.76E-08 1.53E-08 3.01E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 95 101.95 45.76 37.7 2.61E-04 20 1.53E-08 1.60E-08 2.76E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 100 102 46.64 39.06 2.34E-04 20 1.32E-08 1.43E-08 2.56E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 105 102.05 47.52 36.14 2.32E-04 20 1.34E-08 1.50E-08 2.37E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 110 102.1 48.71 38.52 2.24E-04 20 1.22E-08 1.43E-08 2.41E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 115 102.15 55.82 48.52 1.71E-04 20 6.75E-09 1.02E-08 2.22E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 120 102.2 48.3 50.26 1.41E-04 20 6.37E-09 7.31E-09 1.88E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 125 102.25 45.63 39.94 1.59E-04 20 9.03E-09 9.44E-09 1.77E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 130 102.3 49.13 38.41 1.52E-04 20 8.26E-09 9.77E-09 1.64E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 135 102.35 53.31 44.01 9.06E-05 20 4.13E-09 5.66E-09 1.09E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 140 102.4 44.32 48.02 8.97E-05 20 4.55E-09 4.55E-09 1.16E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 145 102.45 14.25 48.92 8.46E-05 20 5.71E-09 1.48E-09 1.11E-08 03/08/97 Yes Yes 918 172 1060 C 12 H 3 150 102.5 34.03 44.61 7.70E-05 20 4.82E-09 3.33E-09 9.38E-09 03/08/97 Yes Yes 918 172 1060 C 12 H 4 0 102.5 43.83 37.83 5.59E-05 20 3.38E-09 3.32E-09 5.95E-09 03/08/97 Yes Yes 920 172 1060 C 12 H 4 5 102.55 31.67 39.66 1.52E-04 20 1.06E-08 6.67E-09 1.68E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 4 10 102.6 26.99 42.92 1.85E-04 20 1.28E-08 6.67E-09 2.18E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 4 15 102.65 30.61 37.29 2.12E-04 20 1.54E-08 9.33E-09 2.23E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 4 20 102.7 28 39.03 2.16E-04 20 1.57E-08 8.54E-09 2.36E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 4 25 102.75 31.17 41.4 2.01E-04 20 1.37E-08 8.48E-09 2.31E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 4 30 102.8 24.53 38.88 1.92E-04 20 1.45E-08 6.75E-09 2.09E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 4 35 102.85 20.87 34.04 2.21E-04 20 1.82E-08 7.08E-09 2.15E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 4 40 102.9 22.9 34.68 2.32E-04 20 1.86E-08 8.05E-09 2.29E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 4 45 102.95 26.29 39.59 2.07E-04 20 1.52E-08 7.67E-09 2.29E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 4 50 103 34.1 40.89 1.79E-04 20 1.19E-08 8.24E-09 2.04E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 4 55 103.05 44.07 43.06 1.31E-04 20 7.29E-09 7.21E-09 1.55E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 4 60 103.1 37.84 60.57 7.62E-05 20 3.13E-09 2.49E-09 1.15E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 4 65 103.15 28.11 57.51 7.74E-05 20 3.89E-09 2.13E-09 1.13E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 4 70 103.2 30.52 50.59 9.86E-05 20 5.72E-09 3.45E-09 1.32E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 4 75 103.25 27.4 51.51 1.24E-04 20 7.25E-09 3.84E-09 1.68E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 4 80 103.3 28.38 48.11 1.43E-04 20 8.92E-09 4.92E-09 1.85E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 4 85 103.35 11.71 42.28 1.55E-04 20 1.19E-08 2.53E-09 1.81E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 4 90 103.4 10.69 39.87 1.65E-04 20 1.32E-08 2.55E-09 1.83E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 4 95 103.45 7.91 37.01 1.62E-04 20 1.36E-08 1.93E-09 1.69E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 4 100 103.5 17.69 32.23 1.67E-04 20 1.43E-08 4.66E-09 1.54E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 4 105 103.55 22.94 29.55 1.75E-04 20 1.49E-08 6.43E-09 1.50E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 4 110 103.6 28.86 33.08 1.84E-04 20 1.43E-08 8.05E-09 1.74E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 4 115 103.65 33.3 34.44 1.90E-04 20 1.39E-08 9.32E-09 1.86E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 4 120 103.7 30.94 34.55 2.08E-04 20 1.56E-08 9.56E-09 2.05E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 4 125 103.75 33.67 21.54 2.00E-04 20 1.64E-08 1.12E-08 1.27E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 4 130 103.8 32.67 25.39 1.81E-04 20 1.46E-08 9.59E-09 1.35E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 4 135 103.85 46.14 21.72 2.01E-04 20 1.37E-08 1.46E-08 1.29E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 4 140 103.9 46.45 20.21 2.51E-04 20 1.72E-08 1.85E-08 1.50E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 4 145 103.95 40.34 22.53 2.46E-04 20 1.84E-08 1.60E-08 1.64E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 4 150 104 37.63 39.55 1.02E-04 20 6.64E-09 5.23E-09 1.13E-08 03/08/97 Yes Yes 920 172 1060 C 12 H 5 0 104 34.53 24.1 7.21E-05 20 5.75E-09 4.04E-09 5.10E-09 03/08/97 Yes Yes 922 172 1060 C 12 H 5 5 104.05 41.39 23.16 1.39E-04 20 1.02E-08 9.19E-09 9.50E-09 03/08/97 Yes Yes 922 172 1060 C 12 H 5 10 104.1 26.59 38.8 8.63E-05 20 6.38E-09 3.27E-09 9.38E-09 03/08/97 Yes Yes 922 172 1060 C 12 H 5 15 104.15 35.72 46.46 8.29E-05 20 4.92E-09 3.62E-09 1.04E-08 03/08/97 Yes Yes 922 172 1060 C 12 H 5 20 104.2 23.3 40.58 9.94E-05 20 7.36E-09 3.24E-09 1.12E-08 03/08/97 Yes Yes 922 172 1060 C 12 H 5 25 104.25 36.04 43.43 1.19E-04 20 7.43E-09 5.53E-09 1.42E-08 03/08/97 Yes Yes 922 172 1060 C 12 H 5 30 104.3 27.93 46.27 1.10E-04 20 7.14E-09 3.87E-09 1.38E-08 03/08/97 Yes Yes 922 172 1060 C 12 H 5 35 104.35 21.18 47.25 1.14E-04 20 7.69E-09 3.04E-09 1.46E-08 03/08/97 Yes Yes 922 172 1060 C 12 H 5 40 104.4 28 45.46 1.23E-04 20 8.07E-09 4.39E-09 1.52E-08 03/08/97 Yes Yes 922 172 1060 C 12 H 5 45 104.45 32.15 48.93 1.17E-04 20 6.93E-09 4.45E-09 1.54E-08 03/08/97 Yes Yes 922 172 1060 C 12 H 5 50 104.5 32.86 50.79 9.64E-05 20 5.43E-09 3.59E-09 1.29E-08 03/08/97 Yes Yes 922 172 1060 C 12 H 5 55 104.55 26.06 48.37 8.75E-05 20 5.54E-09 2.77E-09 1.13E-08 03/08/97 Yes Yes 922 172 1060 C 12 H 5 60 104.6 25.79 51.06 7.97E-05 20 4.79E-09 2.36E-09 1.08E-08 03/08/97 Yes Yes 922 172 1060 C 12 H 5 65 104.65 10.98 43.16 9.50E-05 20 7.21E-09 1.43E-09 1.13E-08 03/08/97 Yes Yes 922 172 1060 C 12 H 5 70 104.7 48.28 51.08 1.16E-04 20 5.15E-09 5.91E-09 1.57E-08 03/08/97 Yes Yes 922 172 1060 C 12 H 5 75 104.75 53.64 45.13 8.14E-05 20 3.61E-09 5.01E-09 1.00E-08 03/08/97 Yes Yes 922 172 1060 C 12 H 5 80 104.8 23.36 49.45 6.60E-05 20 4.18E-09 1.85E-09 8.70E-09 03/08/97 Yes Yes 922 172 1060 C 12 H 5 85 104.85 5.33 58.48 5.60E-05 20 3.09E-09 2.95E-10 8.28E-09 03/08/97 Yes Yes 922 172 1060 C 12 H 5 90 104.9 14.09 61.09 6.10E-05 20 3.03E-09 7.79E-10 9.26E-09 03/08/97 Yes Yes 922 172 1060 C 12 H 5 95 104.95 42.13 60.92 4.96E-05 20 1.90E-09 1.75E-09 7.51E-09 03/08/97 Yes Yes 922 172 1060 C 12 H 5 100 105 40.33 51.39 5.10E-05 20 2.57E-09 2.23E-09 6.91E-09 03/08/97 Yes Yes 922 172 1060 C 12 H 5 105 105.05 9.86 46.55 6.28E-05 20 4.51E-09 8.02E-10 7.90E-09 03/08/97 Yes Yes 922 172 1060 C 12 H 5 110 105.1 29.6 43.04 6.51E-05 20 4.39E-09 2.55E-09 7.70E-09 03/08/97 Yes Yes 922 172 1060 C 12 H 5 115 105.15 37.05 43.67 7.87E-05 20 4.82E-09 3.72E-09 9.42E-09 03/08/97 Yes Yes 922 172 1060 C 12 H 5 120 105.2 26.34 44.58 1.05E-04 20 7.14E-09 3.62E-09 1.28E-08 03/08/97 Yes Yes 922 172 1060 C 12 H 5 125 105.25 25.2 45.6 1.32E-04 20 8.84E-09 4.25E-09 1.63E-08 03/08/97 Yes Yes 922 172 1060 C 12 H 5 130 105.3 22.71 51.62 1.35E-04 20 8.19E-09 3.51E-09 1.83E-08 03/08/97 Yes Yes 922 172 1060 C 12 H 5 135 105.35 35.49 44.95 1.47E-04 20 9.01E-09 6.57E-09 1.81E-08 03/08/97 Yes Yes 922 172 1060 C 12 H 5 140 105.4 35.46 42.12 1.74E-04 20 1.11E-08 8.10E-09 2.02E-08 03/08/97 Yes Yes 922 172 1060 C 12 H 5 145 105.45 37.82 43.28 1.83E-04 20 1.12E-08 8.85E-09 2.17E-08 03/08/97 Yes Yes 922 172 1060 C 12 H 5 150 105.5 55.84 49.3 1.12E-04 20 4.35E-09 6.55E-09 1.47E-08 03/08/97 Yes Yes 922 172 1060 C 12 H 6 0 105.5 36.37 43.94 7.16E-05 20 4.40E-09 3.32E-09 8.61E-09 03/08/97 Yes Yes 924 172 1060 C 12 H 6 5 105.55 34.66 42.75 1.99E-04 20 1.28E-08 9.03E-09 2.35E-08 03/08/97 Yes Yes 924 172 1060 C 12 H 6 10 105.6 32.16 46.24 2.31E-04 20 1.44E-08 9.23E-09 2.89E-08 03/08/97 Yes Yes 924 172 1060 C 12 H 6 15 105.65 37.54 48.54 2.19E-04 20 1.22E-08 9.59E-09 2.85E-08 03/08/97 Yes Yes 924 172 1060 C 12 H 6 20 105.7 45.99 46.71 1.84E-04 20 9.32E-09 9.87E-09 2.33E-08 03/08/97 Yes Yes 924 172 1060 C 12 H 6 25 105.75 47.01 40.74 1.33E-04 20 7.31E-09 8.02E-09 1.51E-08 03/08/97 Yes Yes 924 172 1060 C 12 H 6 30 105.8 24.03 42.34 1.30E-04 20 9.30E-09 4.24E-09 1.52E-08 03/08/97 Yes Yes 924 172 1060 C 12 H 6 35 105.85 29.41 48.58 1.63E-04 20 9.99E-09 5.76E-09 2.12E-08 03/08/97 Yes Yes 924 172 1060 C 12 H 6 40 105.9 18 46.63 2.19E-04 20 1.52E-08 5.04E-09 2.76E-08 03/08/97 Yes Yes 924 172 1060 C 12 H 6 45 105.95 21.3 36.14 3.72E-04 20 2.97E-08 1.19E-08 3.81E-08 03/08/97 Yes Yes 924 172 1060 C 12 H 6 50 106 30.07 33.73 4.99E-04 20 3.81E-08 2.26E-08 4.80E-08 03/08/97 Yes Yes 924 172 1060 C 12 H 6 55 106.05 33.68 39.42 3.61E-04 20 2.46E-08 1.68E-08 3.97E-08 03/08/97 Yes Yes 924 172 1060 C 12 H 6 60 106.1 38.91 40.26 2.77E-04 20 1.74E-08 1.44E-08 3.10E-08 03/08/97 Yes Yes 924 172 1060 C 12 H 6 65 106.15 38.32 39.1 2.68E-04 20 1.73E-08 1.40E-08 2.93E-08 03/08/97 Yes Yes 924 172 1060 C 12 H 6 70 106.2 37.93 41.75 2.45E-04 20 1.53E-08 1.22E-08 2.83E-08 03/08/97 Yes Yes 924 172 1060 C 12 H 6 75 106.25 31.81 43.05 2.42E-04 20 1.60E-08 1.01E-08 2.87E-08 03/08/97 Yes Yes 924 172 1060 C 12 H 6 80 106.3 37.12 38.48 2.83E-04 20 1.88E-08 1.45E-08 3.06E-08 03/08/97 Yes Yes 924 172 1060 C 12 H 6 85 106.35 38.94 37.38 2.83E-04 20 1.86E-08 1.53E-08 2.98E-08 03/08/97 Yes Yes 924 172 1060 C 12 H 6 90 106.4 37.41 40.34 2.71E-04 20 1.74E-08 1.36E-08 3.04E-08 03/08/97 Yes Yes 924 172 1060 C 12 H 6 95 106.45 36.23 33.25 3.09E-04 20 2.21E-08 1.66E-08 2.94E-08 03/08/97 Yes Yes 924 172 1060 C 12 H 6 100 106.5 32.91 33.45 3.12E-04 20 2.32E-08 1.53E-08 2.98E-08 03/08/97 Yes Yes 924 172 1060 C 12 H 6 105 106.55 26.17 36.18 3.07E-04 20 2.36E-08 1.18E-08 3.14E-08 03/08/97 Yes Yes 924 172 1060 C 12 H 6 110 106.6 28.2 35.09 4.03E-04 20 3.08E-08 1.69E-08 4.01E-08 03/08/97 Yes Yes 924 172 1060 C 12 H 6 115 106.65 31.86 35.84 5.16E-04 20 3.77E-08 2.40E-08 5.24E-08 03/08/97 Yes Yes 924 172 1060 C 12 H 6 120 106.7 34.49 37.7 6.22E-04 20 4.30E-08 3.02E-08 6.59E-08 03/08/97 Yes Yes 924 172 1060 C 12 H 6 125 106.75 33.53 45.24 6.29E-04 20 3.92E-08 2.65E-08 7.74E-08 03/08/97 Yes Yes 924 172 1060 C 12 H 6 130 106.8 26.64 46.91 8.08E-04 20 5.23E-08 2.68E-08 1.02E-07 03/08/97 Yes Yes 924 172 1060 C 12 H 6 135 106.85 21.64 40.64 1.34E-03 20 1.00E-07 4.06E-08 1.51E-07 03/08/97 Yes Yes 924 172 1060 C 12 H 6 140 106.9 24.96 32.25 2.59E-03 20 2.11E-07 1.00E-07 2.40E-07 03/08/97 Yes Yes 924 172 1060 C 12 H 6 145 106.95 27.97 27.98 4.30E-03 20 3.56E-07 1.93E-07 3.50E-07 03/08/97 Yes Yes 924 172 1060 C 12 H 6 150 107 39.38 36.2 2.93E-03 20 1.94E-07 1.63E-07 3.00E-07 03/08/97 Yes Yes 924 172 1060 C 12 H 7 0 107 25.88 26.22 1.67E-03 20 1.43E-07 7.07E-08 1.28E-07 03/08/97 Yes Yes 926 172 1060 C 12 H 7 5 107.05 29.96 28.32 3.36E-03 20 2.71E-07 1.60E-07 2.76E-07 03/08/97 Yes Yes 926 172 1060 C 12 H 7 10 107.1 31.19 35.53 2.66E-03 20 1.96E-07 1.21E-07 2.68E-07 03/08/97 Yes Yes 926 172 1060 C 12 H 7 15 107.15 33.01 33.95 2.40E-03 20 1.77E-07 1.18E-07 2.32E-07 03/08/97 Yes Yes 926 172 1060 C 12 H 7 20 107.2 34.54 40.7 1.56E-03 20 1.03E-07 7.25E-08 1.76E-07 03/08/97 Yes Yes 926 172 1060 C 12 H 7 25 107.25 31.35 35.47 2.20E-03 20 1.63E-07 1.01E-07 2.22E-07 03/08/97 Yes Yes 926 172 1060 C 12 H 7 30 107.3 27.07 35.79 2.74E-03 20 2.10E-07 1.10E-07 2.78E-07 03/08/97 Yes Yes 926 172 1060 C 12 H 7 35 107.35 29.24 33.64 4.02E-03 20 3.09E-07 1.77E-07 3.86E-07 03/08/97 Yes Yes 926 172 1060 C 12 H 7 40 107.4 32.5 33.37 5.58E-03 20 4.17E-07 2.72E-07 5.32E-07 03/08/97 Yes Yes 926 172 1060 C 12 H 7 45 107.45 32.93 37.25 5.32E-03 20 3.77E-07 2.50E-07 5.58E-07 03/08/97 Yes Yes 926 172 1060 C 12 H 7 50 107.5 30.12 42.06 4.36E-03 20 2.97E-07 1.76E-07 5.06E-07 03/08/97 Yes Yes 926 172 1060 C 12 H 7 55 107.55 30.45 37.58 4.71E-03 20 3.41E-07 2.05E-07 4.98E-07 03/08/97 Yes Yes 926 172 1060 C 12 H 7 60 107.6 30.37 33.13 5.62E-03 20 4.31E-07 2.58E-07 5.33E-07 03/08/97 Yes Yes 926 172 1060 C 12 H 7 65 107.65 30.69 32.61 6.49E-03 20 4.99E-07 3.03E-07 6.06E-07 03/08/97 Yes Yes 926 172 1060 C 12 H 7 70 107.7 32.53 37.08 4.64E-03 20 3.31E-07 2.16E-07 4.85E-07 03/08/97 Yes Yes 926 172 1060 C 12 H 7 75 107.75 29.04 36.41 3.73E-03 20 2.78E-07 1.58E-07 3.84E-07 03/08/97 Yes Yes 926 172 1060 C 12 H 7 80 107.8 30.66 29 3.93E-03 20 3.14E-07 1.90E-07 3.31E-07 03/08/97 Yes Yes 926 172 1060 C 13 H 1 0 107.5 201.89 29.67 7.89E-03 20 -6.75E-07 -2.77E-07 6.77E-07 03/08/97 Yes Yes 928 172 1060 C 13 H 1 5 107.55 190.83 66.43 1.31E-02 20 -5.45E-07 -1.07E-07 2.08E-06 03/08/97 Yes Yes 928 172 1060 C 13 H 1 10 107.6 8.6 30.3 6.24E-02 20 5.65E-06 8.75E-07 5.46E-06 03/08/97 Yes Yes 928 172 1060 C 13 H 1 15 107.65 56.25 71.35 4.65E-02 20 8.77E-07 1.34E-06 7.64E-06 03/08/97 Yes Yes 928 172 1060 C 13 H 1 20 107.7 155.88 50.5 2.12E-02 20 -1.31E-06 5.98E-07 2.84E-06 03/08/97 Yes Yes 928 172 1060 C 13 H 1 25 107.75 112.51 67.73 1.10E-02 20 -1.70E-07 4.19E-07 1.77E-06 03/08/97 Yes Yes 928 172 1060 C 13 H 1 30 107.8 108.95 64.53 1.14E-02 20 -1.69E-07 5.02E-07 1.78E-06 03/08/97 Yes Yes 928 172 1060 C 13 H 1 35 107.85 108.15 53.85 1.31E-02 20 -2.54E-07 7.93E-07 1.83E-06 03/08/97 Yes Yes 928 172 1060 C 13 H 1 40 107.9 122.29 45.19 1.45E-02 20 -5.80E-07 9.39E-07 1.79E-06 03/08/97 Yes Yes 928 172 1060 C 13 H 1 45 107.95 119.87 64.52 9.79E-03 20 -2.23E-07 3.96E-07 1.53E-06 03/08/97 Yes Yes 928 172 1060 C 13 H 1 50 108 322.74 20.28 4.91E-02 20 3.89E-06 -3.03E-06 2.95E-06 03/08/97 Yes Yes 928 172 1060 C 13 H 1 55 108.05 142.04 39.43 2.96E-02 20 -1.91E-06 1.53E-06 3.26E-06 03/08/97 Yes Yes 928 172 1060 C 13 H 1 60 108.1 72.99 -36.64 1.52E-02 20 3.80E-07 1.27E-06 -1.58E-06 03/08/97 Yes Yes 928 172 1060 C 13 H 1 65 108.15 336.12 6.43 7.48E-02 20 7.20E-06 -3.26E-06 1.45E-06 03/08/97 Yes Yes 928 172 1060 C 13 H 1 70 108.2 345.51 60.39 2.12E-02 20 1.07E-06 -2.84E-07 3.19E-06 03/08/97 Yes Yes 928 172 1060 C 13 H 1 75 108.25 344.93 78.73 2.75E-02 20 5.50E-07 -1.51E-07 4.67E-06 03/08/97 Yes Yes 928 172 1060 C 13 H 1 80 108.3 149.71 36.89 3.45E-02 20 -2.53E-06 1.51E-06 3.59E-06 03/08/97 Yes Yes 928 172 1060 C 13 H 1 85 108.35 337.98 45.23 1.96E-02 20 1.36E-06 -5.62E-07 2.41E-06 03/08/97 Yes Yes 928 172 1060 C 13 H 1 90 108.4 8.37 27.18 5.30E-02 20 4.95E-06 7.44E-07 4.20E-06 03/08/97 Yes Yes 928 172 1060 C 13 H 1 95 108.45 71.9 50.91 2.17E-02 20 4.51E-07 1.41E-06 2.92E-06 03/08/97 Yes Yes 928 172 1060 C 13 H 1 100 108.5 148.96 53.18 1.26E-02 20 -6.86E-07 4.22E-07 1.75E-06 03/08/97 Yes Yes 928 172 1060 C 13 H 1 105 108.55 139.49 67.84 8.80E-03 20 -2.68E-07 2.34E-07 1.41E-06 03/08/97 Yes Yes 928 172 1060 C 13 H 1 110 108.6 114.72 66.25 7.78E-03 20 -1.39E-07 3.09E-07 1.23E-06 03/08/97 Yes Yes 928 172 1060 C 13 H 1 115 108.65 108.71 66.96 8.07E-03 20 -1.07E-07 3.24E-07 1.29E-06 03/08/97 Yes Yes 928 172 1060 C 13 H 1 120 108.7 111.35 70.94 8.56E-03 20 -1.08E-07 2.83E-07 1.40E-06 03/08/97 Yes Yes 928 172 1060 C 13 H 1 125 108.75 93.64 58.54 1.22E-02 20 -4.30E-08 6.91E-07 1.81E-06 03/08/97 Yes Yes 928 172 1060 C 13 H 1 130 108.8 105.09 52.9 1.43E-02 20 -2.38E-07 9.01E-07 1.97E-06 03/08/97 Yes Yes 928 172 1060 C 13 H 1 135 108.85 132.82 61.93 7.41E-03 20 -2.51E-07 2.77E-07 1.13E-06 03/08/97 Yes Yes 928 172 1060 C 13 H 2 0 108.87 66.25 65.85 3.23E-03 20 5.65E-08 1.31E-07 5.11E-07 03/08/97 Yes Yes 930 172 1060 C 13 H 2 5 108.92 107.43 56.82 7.52E-03 20 -1.31E-07 4.26E-07 1.09E-06 03/08/97 Yes Yes 930 172 1060 C 13 H 2 10 108.97 109.92 59.66 8.18E-03 20 -1.49E-07 4.21E-07 1.22E-06 03/08/97 Yes Yes 930 172 1060 C 13 H 2 15 109.02 119.51 59.56 9.14E-03 20 -2.42E-07 4.37E-07 1.37E-06 03/08/97 Yes Yes 930 172 1060 C 13 H 2 20 109.07 149.29 62.01 8.06E-03 20 -3.45E-07 2.09E-07 1.23E-06 03/08/97 Yes Yes 930 172 1060 C 13 H 2 25 109.12 155.73 75.83 6.53E-03 20 -1.54E-07 7.12E-08 1.10E-06 03/08/97 Yes Yes 930 172 1060 C 13 H 2 30 109.17 82.32 69.34 6.45E-03 20 3.22E-08 2.45E-07 1.05E-06 03/08/97 Yes Yes 930 172 1060 C 13 H 2 35 109.22 102.12 50.6 7.32E-03 20 -1.03E-07 4.93E-07 9.81E-07 03/08/97 Yes Yes 930 172 1060 C 13 H 2 40 109.27 111.66 47.71 6.85E-03 20 -1.80E-07 4.64E-07 8.78E-07 03/08/97 Yes Yes 930 172 1060 C 13 H 2 45 109.32 123.84 61.88 5.60E-03 20 -1.56E-07 2.38E-07 8.56E-07 03/08/97 Yes Yes 930 172 1060 C 13 H 2 50 109.37 142.02 57.67 5.66E-03 20 -2.53E-07 2.02E-07 8.29E-07 03/08/97 Yes Yes 930 172 1060 C 13 H 2 55 109.42 149.87 45.97 5.67E-03 20 -3.62E-07 2.15E-07 7.07E-07 03/08/97 Yes Yes 930 172 1060 C 13 H 2 60 109.47 150.46 47.77 3.77E-03 20 -2.34E-07 1.35E-07 4.83E-07 03/08/97 Yes Yes 930 172 1060 C 13 H 2 65 109.52 136.52 52.63 2.98E-03 20 -1.39E-07 1.35E-07 4.11E-07 03/08/97 Yes Yes 930 172 1060 C 13 H 2 70 109.57 121.07 51.91 2.82E-03 20 -9.51E-08 1.61E-07 3.84E-07 03/08/97 Yes Yes 930 172 1060 C 13 H 2 75 109.62 137.52 65.79 1.71E-03 20 -5.50E-08 5.15E-08 2.71E-07 03/08/97 Yes Yes 930 172 1060 C 13 H 2 80 109.67 260.08 71.22 8.31E-04 20 -4.89E-09 -2.86E-08 1.36E-07 03/08/97 Yes Yes 930 172 1060 C 13 H 2 85 109.72 129 71.84 1.42E-03 20 -2.96E-08 3.74E-08 2.34E-07 03/08/97 Yes Yes 930 172 1060 C 13 H 2 90 109.77 119.42 48.01 4.06E-03 20 -1.41E-07 2.56E-07 5.23E-07 03/08/97 Yes Yes 930 172 1060 C 13 H 2 95 109.82 112.36 50.89 4.90E-03 20 -1.25E-07 3.10E-07 6.59E-07 03/08/97 Yes Yes 930 172 1060 C 13 H 2 100 109.87 107.82 55.14 4.40E-03 20 -8.16E-08 2.59E-07 6.25E-07 03/08/97 Yes Yes 930 172 1060 C 13 H 2 105 109.92 102.2 61.06 3.83E-03 20 -4.15E-08 1.96E-07 5.81E-07 03/08/97 Yes Yes 930 172 1060 C 13 H 2 110 109.97 109.5 59.23 4.04E-03 20 -7.33E-08 2.11E-07 6.02E-07 03/08/97 Yes Yes 930 172 1060 C 13 H 2 115 110.02 113.84 56.98 3.09E-03 20 -7.21E-08 1.67E-07 4.49E-07 03/08/97 Yes Yes 930 172 1060 C 13 H 2 120 110.07 92.45 57.45 2.82E-03 20 -6.86E-09 1.64E-07 4.12E-07 03/08/97 Yes Yes 930 172 1060 C 13 H 2 125 110.12 105.59 55.21 2.94E-03 20 -4.78E-08 1.75E-07 4.19E-07 03/08/97 Yes Yes 930 172 1060 C 13 H 2 130 110.17 108.62 60.28 2.26E-03 20 -3.80E-08 1.15E-07 3.41E-07 03/08/97 Yes Yes 930 172 1060 C 13 H 2 135 110.22 102.75 56.8 2.44E-03 20 -3.12E-08 1.41E-07 3.53E-07 03/08/97 Yes Yes 930 172 1060 C 13 H 2 140 110.27 108.82 54.36 2.48E-03 20 -4.94E-08 1.48E-07 3.49E-07 03/08/97 Yes Yes 930 172 1060 C 13 H 2 145 110.32 122.96 51.99 2.08E-03 20 -7.38E-08 1.16E-07 2.84E-07 03/08/97 Yes Yes 930 172 1060 C 13 H 2 150 110.37 137.9 59.83 8.43E-04 20 -3.33E-08 3.08E-08 1.26E-07 03/08/97 Yes Yes 930 172 1060 C 13 H 3 0 110.37 16.77 72.53 2.43E-04 20 7.41E-09 2.28E-09 4.02E-08 03/08/97 Yes Yes 932 172 1060 C 13 H 3 5 110.42 101.35 65.9 7.06E-04 20 -6.02E-09 3.06E-08 1.12E-07 03/08/97 Yes Yes 932 172 1060 C 13 H 3 10 110.47 109.66 64.12 9.86E-04 20 -1.54E-08 4.39E-08 1.54E-07 03/08/97 Yes Yes 932 172 1060 C 13 H 3 15 110.52 110.62 61.87 1.40E-03 20 -2.46E-08 6.68E-08 2.13E-07 03/08/97 Yes Yes 932 172 1060 C 13 H 3 20 110.57 101.51 59.51 1.94E-03 20 -2.09E-08 1.05E-07 2.90E-07 03/08/97 Yes Yes 932 172 1060 C 13 H 3 25 110.62 111.17 59.88 2.09E-03 20 -4.01E-08 1.06E-07 3.13E-07 03/08/97 Yes Yes 932 172 1060 C 13 H 3 30 110.67 116.73 59.2 2.02E-03 20 -4.94E-08 1.00E-07 3.01E-07 03/08/97 Yes Yes 932 172 1060 C 13 H 3 35 110.72 107.11 52.52 1.90E-03 20 -3.60E-08 1.20E-07 2.61E-07 03/08/97 Yes Yes 932 172 1060 C 13 H 3 40 110.77 104.39 58.43 1.27E-03 20 -1.75E-08 6.98E-08 1.87E-07 03/08/97 Yes Yes 932 172 1060 C 13 H 3 45 110.82 104.01 59.98 8.96E-04 20 -1.15E-08 4.72E-08 1.34E-07 03/08/97 Yes Yes 932 172 1060 C 13 H 3 50 110.87 132.17 69.8 4.81E-04 20 -1.18E-08 1.33E-08 7.83E-08 03/08/97 Yes Yes 932 172 1060 C 13 H 3 55 110.92 238.32 71.13 4.25E-04 20 -7.65E-09 -1.27E-08 6.97E-08 03/08/97 Yes Yes 932 172 1060 C 13 H 3 60 110.97 69.13 70.17 1.10E-03 20 1.40E-08 3.77E-08 1.79E-07 03/08/97 Yes Yes 932 172 1060 C 13 H 3 65 111.02 91.55 61.18 2.53E-03 20 -3.50E-09 1.32E-07 3.84E-07 03/08/97 Yes Yes 932 172 1060 C 13 H 3 70 111.07 115.95 78.2 2.88E-03 20 -2.74E-08 5.75E-08 4.89E-07 03/08/97 Yes Yes 932 172 1060 C 13 H 3 75 111.12 45.81 84.47 3.00E-03 20 2.14E-08 2.25E-08 5.17E-07 03/08/97 Yes Yes 932 172 1060 C 13 H 3 80 111.17 60.61 67.62 2.98E-03 20 5.91E-08 1.07E-07 4.78E-07 03/08/97 Yes Yes 932 172 1060 C 13 H 3 85 111.22 86.56 60.83 2.25E-03 20 6.98E-09 1.19E-07 3.41E-07 03/08/97 Yes Yes 932 172 1060 C 13 H 3 90 111.27 104.03 65.54 1.29E-03 20 -1.37E-08 5.60E-08 2.03E-07 03/08/97 Yes Yes 932 172 1060 C 13 H 3 95 111.32 90.83 69.14 9.75E-04 20 -5.36E-10 3.77E-08 1.58E-07 03/08/97 Yes Yes 932 172 1060 C 13 H 3 100 111.37 108.3 58.07 9.85E-04 20 -1.73E-08 5.36E-08 1.45E-07 03/08/97 Yes Yes 932 172 1060 C 13 H 3 105 111.42 98.11 60.9 7.84E-04 20 -5.71E-09 4.10E-08 1.19E-07 03/08/97 Yes Yes 932 172 1060 C 13 H 3 110 111.47 85.09 59.7 9.06E-04 20 4.15E-09 4.94E-08 1.36E-07 03/08/97 Yes Yes 932 172 1060 C 13 H 3 115 111.52 98.19 57.56 1.10E-03 20 -8.90E-09 6.32E-08 1.61E-07 03/08/97 Yes Yes 932 172 1060 C 13 H 3 120 111.57 106.12 58.6 1.05E-03 20 -1.61E-08 5.71E-08 1.56E-07 03/08/97 Yes Yes 932 172 1060 C 13 H 3 125 111.62 112.56 58.7 9.56E-04 20 -2.02E-08 4.98E-08 1.42E-07 03/08/97 Yes Yes 932 172 1060 C 13 H 3 130 111.67 114.28 68.41 8.19E-04 20 -1.31E-08 2.98E-08 1.32E-07 03/08/97 Yes Yes 932 172 1060 C 13 H 3 135 111.72 95.19 71.31 1.05E-03 20 -3.23E-09 3.63E-08 1.72E-07 03/08/97 Yes Yes 932 172 1060 C 13 H 3 140 111.77 89.67 62.06 1.77E-03 20 5.07E-10 9.00E-08 2.71E-07 03/08/97 Yes Yes 932 172 1060 C 13 H 3 145 111.82 99.44 59.17 2.21E-03 20 -1.97E-08 1.21E-07 3.28E-07 03/08/97 Yes Yes 932 172 1060 C 13 H 3 150 111.87 116.09 57.77 1.65E-03 20 -4.10E-08 8.57E-08 2.42E-07 03/08/97 Yes Yes 932 172 1060 C 13 H 4 0 111.87 42.88 71.48 7.98E-04 20 1.97E-08 1.87E-08 1.31E-07 03/08/97 Yes Yes 934 172 1060 C 13 H 4 5 111.92 90.31 61.75 1.98E-03 20 -5.36E-10 1.01E-07 3.02E-07 03/08/97 Yes Yes 934 172 1060 C 13 H 4 10 111.97 87.47 62.27 2.54E-03 20 5.53E-09 1.28E-07 3.90E-07 03/08/97 Yes Yes 934 172 1060 C 13 H 4 15 112.02 83.2 61.64 2.81E-03 20 1.68E-08 1.44E-07 4.29E-07 03/08/97 Yes Yes 934 172 1060 C 13 H 4 20 112.07 88.36 66.22 2.98E-03 20 3.65E-09 1.30E-07 4.73E-07 03/08/97 Yes Yes 934 172 1060 C 13 H 4 25 112.12 92.37 63.82 3.54E-03 20 -6.85E-09 1.69E-07 5.51E-07 03/08/97 Yes Yes 934 172 1060 C 13 H 4 30 112.17 83.72 64.35 3.82E-03 20 1.92E-08 1.78E-07 5.96E-07 03/08/97 Yes Yes 934 172 1060 C 13 H 4 35 112.22 87.38 64.54 4.12E-03 20 8.57E-09 1.92E-07 6.44E-07 03/08/97 Yes Yes 934 172 1060 C 13 H 4 40 112.27 97.27 63.97 4.17E-03 20 -2.46E-08 1.97E-07 6.50E-07 03/08/97 Yes Yes 934 172 1060 C 13 H 4 45 112.32 93.86 63.69 3.53E-03 20 -1.12E-08 1.70E-07 5.49E-07 03/08/97 Yes Yes 934 172 1060 C 13 H 4 50 112.37 95.56 64.21 3.02E-03 20 -1.35E-08 1.42E-07 4.72E-07 03/08/97 Yes Yes 934 172 1060 C 13 H 4 55 112.42 79.27 59.97 3.56E-03 20 3.52E-08 1.90E-07 5.34E-07 03/08/97 Yes Yes 934 172 1060 C 13 H 4 60 112.47 81.53 65.1 3.55E-03 20 2.33E-08 1.60E-07 5.58E-07 03/08/97 Yes Yes 934 172 1060 C 13 H 4 65 112.52 90.93 71.6 2.86E-03 20 -1.55E-09 9.79E-08 4.70E-07 03/08/97 Yes Yes 934 172 1060 C 13 H 4 70 112.57 89.45 65.92 2.83E-03 20 1.18E-09 1.25E-07 4.48E-07 03/08/97 Yes Yes 934 172 1060 C 13 H 4 75 112.62 90.35 63.65 2.97E-03 20 -8.46E-10 1.43E-07 4.61E-07 03/08/97 Yes Yes 934 172 1060 C 13 H 4 80 112.67 94.4 64.44 2.87E-03 20 -1.01E-08 1.34E-07 4.49E-07 03/08/97 Yes Yes 934 172 1060 C 13 H 4 85 112.72 86.24 60.02 3.16E-03 20 1.10E-08 1.71E-07 4.74E-07 03/08/97 Yes Yes 934 172 1060 C 13 H 4 90 112.77 86.35 66.94 3.23E-03 20 8.55E-09 1.37E-07 5.16E-07 03/08/97 Yes Yes 934 172 1060 C 13 H 4 95 112.82 95 73.06 2.98E-03 20 -8.03E-09 9.39E-08 4.95E-07 03/08/97 Yes Yes 934 172 1060 C 13 H 4 100 112.87 85.96 66.02 3.29E-03 20 1.00E-08 1.45E-07 5.21E-07 03/08/97 Yes Yes 934 172 1060 C 13 H 4 105 112.92 91.24 54.65 4.39E-03 20 -5.82E-09 2.75E-07 6.21E-07 03/08/97 Yes Yes 934 172 1060 C 13 H 4 110 112.97 103.47 58.19 3.80E-03 20 -4.94E-08 2.11E-07 5.59E-07 03/08/97 Yes Yes 934 172 1060 C 13 H 4 115 113.02 99.42 63 2.72E-03 20 -2.14E-08 1.32E-07 4.20E-07 03/08/97 Yes Yes 934 172 1060 C 13 H 4 120 113.07 93.39 58.86 2.75E-03 20 -8.93E-09 1.54E-07 4.09E-07 03/08/97 Yes Yes 934 172 1060 C 13 H 4 125 113.12 107.29 58.36 2.15E-03 20 -3.55E-08 1.17E-07 3.17E-07 03/08/97 Yes Yes 934 172 1060 C 13 H 4 130 113.17 110.79 60.61 1.37E-03 20 -2.53E-08 6.82E-08 2.07E-07 03/08/97 Yes Yes 934 172 1060 C 13 H 4 135 113.22 107.17 57.97 1.02E-03 20 -1.70E-08 5.63E-08 1.50E-07 03/08/97 Yes Yes 934 172 1060 C 13 H 4 140 113.27 109.49 56.7 7.42E-04 20 -1.44E-08 4.17E-08 1.08E-07 03/08/97 Yes Yes 934 172 1060 C 13 H 4 145 113.32 103.7 52.82 5.58E-04 20 -8.47E-09 3.55E-08 7.71E-08 03/08/97 Yes Yes 934 172 1060 C 13 H 4 150 113.37 116.26 47.08 3.66E-04 20 -1.17E-08 2.43E-08 4.65E-08 03/08/97 Yes Yes 934 172 1060 C 13 H 5 0 113.37 70.08 59.12 3.54E-04 20 6.56E-09 1.85E-08 5.27E-08 03/08/97 Yes Yes 936 172 1060 C 13 H 5 5 113.42 96.38 45.48 9.14E-04 20 -7.55E-09 6.91E-08 1.13E-07 03/08/97 Yes Yes 936 172 1060 C 13 H 5 10 113.47 111 48.73 7.27E-04 20 -1.82E-08 4.85E-08 9.47E-08 03/08/97 Yes Yes 936 172 1060 C 13 H 5 15 113.52 110.29 56.12 4.46E-04 20 -9.14E-09 2.53E-08 6.42E-08 03/08/97 Yes Yes 936 172 1060 C 13 H 5 20 113.57 104.81 57.99 4.69E-04 20 -6.74E-09 2.61E-08 6.90E-08 03/08/97 Yes Yes 936 172 1060 C 13 H 5 25 113.62 127.73 41.69 6.56E-04 20 -3.18E-08 4.20E-08 7.56E-08 03/08/97 Yes Yes 936 172 1060 C 13 H 5 30 113.67 112.57 48.48 1.03E-03 20 -2.79E-08 6.86E-08 1.34E-07 03/08/97 Yes Yes 936 172 1060 C 13 H 5 35 113.72 2.02 52.1 4.36E-03 20 2.84E-07 1.03E-08 5.97E-07 03/08/97 Yes Yes 936 172 1060 C 13 H 5 40 113.77 301.86 68.01 1.06E-02 20 2.22E-07 -3.66E-07 1.71E-06 03/08/97 Yes Yes 936 172 1060 C 13 H 5 45 113.82 119.09 78.54 4.47E-03 20 -4.58E-08 8.42E-08 7.59E-07 03/08/97 Yes Yes 936 172 1060 C 13 H 5 50 113.87 240.19 19 8.61E-04 20 -4.29E-08 -7.66E-08 4.86E-08 03/08/97 Yes Yes 936 172 1060 C 13 H 5 55 113.92 79.88 -27.66 5.49E-03 20 9.07E-08 5.19E-07 -4.42E-07 03/08/97 Yes Yes 936 172 1060 C 13 H 5 60 113.97 77.47 -25.03 1.71E-02 20 3.57E-07 1.65E-06 -1.26E-06 03/08/97 Yes Yes 936 172 1060 C 13 H 5 65 114.02 49.87 7.11 7.48E-03 20 5.07E-07 6.15E-07 1.61E-07 03/08/97 Yes Yes 936 172 1060 C 13 H 5 70 114.07 268.05 64.96 4.97E-03 20 -7.58E-09 -2.28E-07 7.81E-07 03/08/97 Yes Yes 936 172 1060 C 13 H 5 75 114.12 44.22 40.31 1.07E-02 20 6.19E-07 6.16E-07 1.20E-06 03/08/97 Yes Yes 936 172 1060 C 13 H 5 80 114.17 77.27 71.66 1.32E-02 20 9.69E-08 4.39E-07 2.17E-06 03/08/97 Yes Yes 936 172 1060 C 13 H 5 85 114.22 246.57 64.53 1.09E-02 20 -1.97E-07 -4.65E-07 1.70E-06 03/08/97 Yes Yes 936 172 1060 C 13 H 5 90 114.27 287.1 49.2 1.65E-02 20 3.35E-07 -1.11E-06 2.16E-06 03/08/97 Yes Yes 936 172 1060 C 13 H 5 95 114.32 93.05 67.26 1.39E-02 20 -3.03E-08 5.81E-07 2.22E-06 03/08/97 Yes Yes 936 172 1060 C 13 H 5 100 114.37 79.29 33.37 4.61E-02 20 7.60E-07 4.11E-06 4.40E-06 03/08/97 Yes Yes 936 172 1060 C 13 H 5 105 114.42 155.93 74.84 2.50E-02 20 -6.34E-07 2.90E-07 4.19E-06 03/08/97 Yes Yes 936 172 1060 C 13 H 5 110 114.47 220.11 44.52 7.54E-03 20 -4.36E-07 -3.76E-07 9.17E-07 03/08/97 Yes Yes 936 172 1060 C 13 H 5 115 114.52 148.12 47.93 5.25E-03 20 -3.17E-07 2.02E-07 6.76E-07 03/08/97 Yes Yes 936 172 1060 C 13 H 5 120 114.57 323.07 24.77 4.31E-02 20 3.32E-06 -2.55E-06 3.13E-06 03/08/97 Yes Yes 936 172 1060 C 13 H 5 125 114.62 331.62 68.95 6.02E-02 20 2.02E-06 -1.11E-06 9.73E-06 03/08/97 Yes Yes 936 172 1060 C 13 H 5 130 114.67 131.21 33.87 3.38E-02 20 -1.96E-06 2.29E-06 3.26E-06 03/08/97 Yes Yes 936 172 1060 C 13 H 5 135 114.72 170.59 69.86 2.82E-03 20 -1.01E-07 1.72E-08 4.59E-07 03/08/97 Yes Yes 936 172 1060 C 13 H 5 140 114.77 298.37 35.5 8.80E-04 20 3.61E-08 -6.83E-08 8.86E-08 03/08/97 Yes Yes 936 172 1060 C 13 H 5 145 114.82 105.75 57.89 3.91E-04 20 -5.98E-09 2.17E-08 5.73E-08 03/08/97 Yes Yes 936 172 1060 C 13 H 5 150 114.87 110.22 46.89 2.69E-04 20 -6.73E-09 1.87E-08 3.40E-08 03/08/97 Yes Yes 936 172 1060 C 13 H 6 0 114.87 121.51 73.83 1.68E-04 20 -2.59E-09 4.33E-09 2.80E-08 03/08/97 Yes Yes 938 172 1060 C 13 H 6 5 114.92 102.78 38.72 5.31E-04 20 -9.72E-09 4.38E-08 5.76E-08 03/08/97 Yes Yes 938 172 1060 C 13 H 6 10 114.97 101.66 38.41 6.18E-04 20 -1.04E-08 5.14E-08 6.65E-08 03/08/97 Yes Yes 938 172 1060 C 13 H 6 15 115.02 104.66 38.39 5.70E-04 20 -1.20E-08 4.69E-08 6.14E-08 03/08/97 Yes Yes 938 172 1060 C 13 H 6 20 115.07 104.7 40.55 5.56E-04 20 -1.14E-08 4.43E-08 6.27E-08 03/08/97 Yes Yes 938 172 1060 C 13 H 6 25 115.12 104.59 44.27 5.41E-04 20 -1.04E-08 4.07E-08 6.55E-08 03/08/97 Yes Yes 938 172 1060 C 13 H 6 30 115.17 107.96 44.6 5.41E-04 20 -1.26E-08 3.97E-08 6.58E-08 03/08/97 Yes Yes 938 172 1060 C 13 H 6 35 115.22 108.23 42.51 5.02E-04 20 -1.23E-08 3.81E-08 5.88E-08 03/08/97 Yes Yes 938 172 1060 C 13 H 6 40 115.27 106.52 41.54 5.04E-04 20 -1.14E-08 3.92E-08 5.80E-08 03/08/97 Yes Yes 938 172 1060 C 13 H 6 45 115.32 107.88 39.94 5.41E-04 20 -1.35E-08 4.29E-08 6.03E-08 03/08/97 Yes Yes 938 172 1060 C 13 H 6 50 115.37 113.9 36.09 5.43E-04 20 -1.89E-08 4.35E-08 5.55E-08 03/08/97 Yes Yes 938 172 1060 C 13 H 6 55 115.42 100.81 36.42 5.05E-04 20 -8.09E-09 4.33E-08 5.20E-08 03/08/97 Yes Yes 938 172 1060 C 13 H 6 60 115.47 103.29 39.48 4.89E-04 20 -9.20E-09 3.98E-08 5.39E-08 03/08/97 Yes Yes 938 172 1060 C 13 H 6 65 115.52 109.51 34.93 5.18E-04 20 -1.51E-08 4.34E-08 5.14E-08 03/08/97 Yes Yes 938 172 1060 C 13 H 6 70 115.57 109.68 36.54 4.81E-04 20 -1.38E-08 3.95E-08 4.96E-08 03/08/97 Yes Yes 938 172 1060 C 13 H 6 75 115.62 103.62 39.09 4.87E-04 20 -9.45E-09 3.99E-08 5.33E-08 03/08/97 Yes Yes 938 172 1060 C 13 H 6 80 115.67 113.66 39.77 4.90E-04 20 -1.60E-08 3.74E-08 5.43E-08 03/08/97 Yes Yes 938 172 1060 C 13 H 6 85 115.72 122.97 33.67 5.31E-04 20 -2.55E-08 4.02E-08 5.11E-08 03/08/97 Yes Yes 938 172 1060 C 13 H 6 90 115.77 119.03 34.18 5.59E-04 20 -2.38E-08 4.39E-08 5.45E-08 03/08/97 Yes Yes 938 172 1060 C 13 H 6 95 115.82 113.59 42.58 5.50E-04 20 -1.72E-08 4.02E-08 6.45E-08 03/08/97 Yes Yes 938 172 1060 C 13 H 6 100 115.87 114.96 36.15 6.63E-04 20 -2.40E-08 5.26E-08 6.78E-08 03/08/97 Yes Yes 938 172 1060 C 13 H 6 105 115.92 116.73 35.31 6.89E-04 20 -2.68E-08 5.45E-08 6.90E-08 03/08/97 Yes Yes 938 172 1060 C 13 H 6 110 115.97 120.85 32.99 6.98E-04 20 -3.19E-08 5.46E-08 6.59E-08 03/08/97 Yes Yes 938 172 1060 C 13 H 6 115 116.02 120.59 30.33 6.70E-04 20 -3.12E-08 5.40E-08 5.86E-08 03/08/97 Yes Yes 938 172 1060 C 13 H 6 120 116.07 128.24 46.08 2.82E-04 20 -1.29E-08 1.67E-08 3.52E-08 03/08/97 Yes Yes 938 172 1060 C 13 H 6 125 116.12 296.2 39.26 2.27E-04 20 8.24E-09 -1.71E-08 2.49E-08 03/08/97 Yes Yes 938 172 1060 C 13 H 6 130 116.17 106.45 48.78 5.80E-04 20 -1.15E-08 3.98E-08 7.57E-08 03/08/97 Yes Yes 938 172 1060 C 13 H 6 135 116.22 114.97 35.01 1.20E-03 20 -4.41E-08 9.68E-08 1.20E-07 03/08/97 Yes Yes 938 172 1060 C 13 H 6 140 116.27 114.23 33.13 1.35E-03 20 -4.90E-08 1.11E-07 1.27E-07 03/08/97 Yes Yes 938 172 1060 C 13 H 6 145 116.32 114.93 30.9 1.34E-03 20 -5.13E-08 1.13E-07 1.19E-07 03/08/97 Yes Yes 938 172 1060 C 13 H 6 150 116.37 121.8 36.41 6.31E-04 20 -2.84E-08 4.68E-08 6.49E-08 03/08/97 Yes Yes 938 172 1060 C 13 H 7 0 116.37 99.7 56.96 4.36E-04 20 -4.24E-09 2.54E-08 6.33E-08 03/08/97 Yes Yes 940 172 1060 C 13 H 7 5 116.42 122.82 39.33 1.34E-03 20 -5.97E-08 9.47E-08 1.48E-07 03/08/97 Yes Yes 940 172 1060 C 13 H 7 10 116.47 123.78 37.64 1.83E-03 20 -8.55E-08 1.31E-07 1.94E-07 03/08/97 Yes Yes 940 172 1060 C 13 H 7 15 116.52 125.47 43.4 1.45E-03 20 -6.48E-08 9.30E-08 1.73E-07 03/08/97 Yes Yes 940 172 1060 C 13 H 7 20 116.57 123.35 56.68 8.88E-04 20 -2.84E-08 4.42E-08 1.29E-07 03/08/97 Yes Yes 940 172 1060 C 13 H 7 25 116.62 119.46 55.27 7.39E-04 20 -2.20E-08 3.98E-08 1.05E-07 03/08/97 Yes Yes 940 172 1060 C 13 H 7 30 116.67 120.35 52.32 7.07E-04 20 -2.32E-08 4.04E-08 9.70E-08 03/08/97 Yes Yes 940 172 1060 C 13 H 7 35 116.72 122.05 50.91 6.54E-04 20 -2.32E-08 3.79E-08 8.80E-08 03/08/97 Yes Yes 940 172 1060 C 13 H 7 40 116.77 133.04 47.76 5.61E-04 20 -2.73E-08 2.99E-08 7.20E-08 03/08/97 Yes Yes 940 172 1060 C 13 H 7 45 116.82 137.53 41.84 3.95E-04 20 -2.30E-08 2.16E-08 4.57E-08 03/08/97 Yes Yes 940 172 1060 C 14 H 1 0 117 77.1 0 4.88E+01 0 2.01E-09 2.19E-09 2.11E-08 03/08/97 1 Yes 942 172 1060 C 14 H 1 5 117.05 47.33 5 2.76E+02 0 3.23E-09 -3.01E-08 5.25E-08 03/08/97 1 Yes 942 172 1060 C 14 H 1 10 117.1 33.35 10 3.51E+01 0 4.97E-08 3.58E-08 6.55E-08 03/08/97 1 Yes 942 172 1060 C 14 H 1 15 117.15 59.21 15 1.84E+01 0 1.96E-08 6.63E-09 5.68E-08 03/08/97 1 Yes 942 172 1060 C 14 H 1 20 117.2 63.9 20 5.87E+01 0 1.20E-08 2.01E-08 7.75E-08 03/08/97 1 Yes 942 172 1060 C 14 H 1 25 117.25 48.73 25 1.16E+02 0 -2.20E-08 4.66E-08 9.46E-08 03/08/97 1 Yes 942 172 1060 C 14 H 1 30 117.3 52.95 30 2.06E+02 0 -3.55E-08 -1.81E-08 8.64E-08 03/08/97 1 Yes 942 172 1060 C 14 H 1 35 117.35 51.84 35 2.17E+02 0 -3.07E-08 -2.37E-08 8.02E-08 03/08/97 1 Yes 942 172 1060 C 14 H 1 40 117.4 41.86 40 2.05E+02 0 -4.34E-08 -2.10E-08 7.04E-08 03/08/97 1 Yes 942 172 1060 C 14 H 1 45 117.45 45.04 45 2.24E+02 0 -3.34E-08 -3.26E-08 7.58E-08 03/08/97 1 Yes 942 172 1060 C 14 H 1 50 117.5 70.98 50 2.41E+02 0 -6.53E-09 -1.20E-08 6.41E-08 03/08/97 1 Yes 942 172 1060 C 14 H 1 55 117.55 64.42 55 1.33E+01 0 1.72E-08 4.06E-09 6.00E-08 03/08/97 1 Yes 942 172 1060 C 14 H 1 60 117.6 46.14 60 2.36E+02 0 -1.80E-08 -2.85E-08 5.69E-08 03/08/97 1 Yes 942 172 1060 C 14 H 1 65 117.65 43.34 65 2.45E+02 0 -1.59E-08 -3.39E-08 5.73E-08 03/08/97 1 Yes 942 172 1060 C 14 H 1 70 117.7 50.31 70 2.59E+02 0 -6.87E-09 -3.49E-08 6.91E-08 03/08/97 1 Yes 942 172 1060 C 14 H 1 75 117.75 70.51 75 8.26E+01 0 2.66E-09 2.06E-08 9.45E-08 03/08/97 1 Yes 942 172 1060 C 14 H 1 80 117.8 62.98 80 2.36E+02 0 -1.49E-08 -2.25E-08 8.55E-08 03/08/97 1 Yes 942 172 1060 C 14 H 1 85 117.85 54.58 85 2.39E+02 0 -1.40E-08 -2.33E-08 6.21E-08 03/08/97 1 Yes 942 172 1060 C 14 H 1 90 117.9 56.11 90 2.52E+02 0 -7.70E-09 -2.46E-08 6.15E-08 03/08/97 1 Yes 942 172 1060 C 14 H 1 95 117.95 55.4 95 2.45E+02 0 -1.05E-08 -2.35E-08 6.02E-08 03/08/97 1 Yes 942 172 1060 C 14 H 1 100 118 51.35 100 2.27E+02 0 -1.79E-08 -1.97E-08 5.43E-08 03/08/97 1 Yes 942 172 1060 C 14 H 1 105 118.05 51.18 105 2.29E+02 0 -1.65E-08 -1.89E-08 5.05E-08 03/08/97 1 Yes 942 172 1060 C 14 H 1 110 118.1 38.39 110 2.33E+02 0 -1.94E-08 -2.58E-08 4.13E-08 03/08/97 1 Yes 942 172 1060 C 14 H 1 115 118.15 37.13 115 2.16E+02 0 -2.66E-08 -1.98E-08 4.11E-08 03/08/97 1 Yes 942 172 1060 C 14 H 1 120 118.2 50.97 120 2.12E+02 0 -2.57E-08 -1.64E-08 6.15E-08 03/08/97 1 Yes 942 172 1060 C 14 H 1 125 118.25 54.89 125 2.19E+02 0 -2.61E-08 -2.13E-08 7.77E-08 03/08/97 1 Yes 942 172 1060 C 14 H 1 130 118.3 46.21 130 2.15E+02 0 -4.34E-08 -3.18E-08 9.11E-08 03/08/97 1 Yes 942 172 1060 C 14 H 1 135 118.35 54.82 135 2.35E+02 0 -2.31E-08 -3.31E-08 9.24E-08 03/08/97 1 Yes 942 172 1060 C 14 H 1 140 118.4 49.25 140 2.37E+02 0 -2.96E-08 -4.62E-08 1.02E-07 03/08/97 1 Yes 942 172 1060 C 14 H 1 145 118.45 48.17 145 2.16E+02 0 -3.41E-08 -2.55E-08 7.72E-08 03/08/97 1 Yes 942 172 1060 C 14 H 1 150 118.5 51.32 150 1.93E+02 0 -1.51E-08 -3.47E-09 3.19E-08 03/08/97 1 Yes 942 172 1060 C 14 H 2 0 118.5 52.4 0 2.39E+02 0 -7.76E-09 -1.35E-08 3.21E-08 03/08/97 1 Yes 944 172 1060 C 14 H 2 5 118.55 51.14 5 2.08E+02 0 -2.80E-08 -1.52E-08 6.44E-08 03/08/97 1 Yes 944 172 1060 C 14 H 2 10 118.6 59.52 10 1.94E+02 0 -2.04E-08 -5.12E-09 5.87E-08 03/08/97 1 Yes 944 172 1060 C 14 H 2 15 118.65 50.84 15 2.37E+02 0 -1.46E-08 -2.27E-08 5.36E-08 03/08/97 1 Yes 944 172 1060 C 14 H 2 20 118.7 57.43 20 2.15E+02 0 -1.35E-08 -9.66E-09 4.21E-08 03/08/97 1 Yes 944 172 1060 C 14 H 2 25 118.75 71.04 25 2.06E+02 0 -6.41E-09 -3.30E-09 3.43E-08 03/08/97 1 Yes 944 172 1060 C 14 H 2 30 118.8 64.27 30 2.23E+02 0 -8.11E-09 -7.83E-09 3.84E-08 03/08/97 1 Yes 944 172 1060 C 14 H 2 35 118.85 49.13 35 1.74E+02 0 -1.35E-08 1.62E-09 2.58E-08 03/08/97 1 Yes 944 172 1060 C 14 H 2 40 118.9 45.7 40 2.48E+02 0 -7.97E-09 -1.98E-08 3.51E-08 03/08/97 1 Yes 944 172 1060 C 14 H 2 45 118.95 49.21 45 2.48E+02 0 -8.11E-09 -2.11E-08 4.23E-08 03/08/97 1 Yes 944 172 1060 C 14 H 2 50 119 59.52 50 2.61E+02 0 -2.97E-09 -1.91E-08 5.29E-08 03/08/97 1 Yes 944 172 1060 C 14 H 2 55 119.05 59 55 2.17E+02 0 -1.90E-08 -1.47E-08 6.54E-08 03/08/97 1 Yes 944 172 1060 C 14 H 2 60 119.1 32.28 60 1.65E+02 0 -6.42E-08 1.67E-08 6.96E-08 03/08/97 1 Yes 944 172 1060 C 14 H 2 65 119.15 59.74 65 2.08E+02 0 -2.24E-08 -1.21E-08 7.09E-08 03/08/97 1 Yes 944 172 1060 C 14 H 2 70 119.2 70.64 70 2.58E+02 0 -3.05E-09 -1.39E-08 6.55E-08 03/08/97 1 Yes 944 172 1060 C 14 H 2 75 119.25 63.11 75 2.28E+02 0 -7.76E-09 -8.87E-09 3.77E-08 03/08/97 1 Yes 944 172 1060 C 14 H 2 80 119.3 54.75 80 6.03E+01 0 2.40E-09 4.08E-09 1.09E-08 03/08/97 1 Yes 944 172 1060 C 14 H 2 85 119.35 65.99 85 3.33E+02 0 4.34E-09 -2.13E-09 1.82E-08 03/08/97 1 Yes 944 172 1060 C 14 H 2 90 119.4 57.66 90 2.33E+02 0 -9.68E-09 -1.33E-08 4.20E-08 03/08/97 1 Yes 944 172 1060 C 14 H 2 95 119.45 52.04 95 2.19E+02 0 -1.65E-08 -1.35E-08 4.48E-08 03/08/97 1 Yes 944 172 1060 C 14 H 2 100 119.5 45.84 100 2.23E+02 0 -1.49E-08 -1.43E-08 3.49E-08 03/08/97 1 Yes 944 172 1060 C 14 H 2 105 119.55 39.02 105 2.67E+02 0 -1.04E-09 -1.58E-08 2.08E-08 03/08/97 1 Yes 944 172 1060 C 14 H 2 110 119.6 71.72 110 2.01E+02 0 -2.80E-09 -1.10E-09 1.38E-08 03/08/97 1 Yes 944 172 1060 C 14 H 2 115 119.65 64.5 115 1.96E+02 0 -3.56E-09 -1.17E-09 1.36E-08 03/08/97 1 Yes 944 172 1060 C 14 H 2 120 119.7 22.39 120 2.62E+02 0 -1.62E-09 -1.23E-08 8.59E-09 03/08/97 1 Yes 944 172 1060 C 14 H 3 0 119.9 37.15 0 2.92E+02 0 5.79E-09 -1.46E-08 1.87E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 5 119.95 55.18 5 3.15E+02 0 1.28E-08 -1.32E-08 4.26E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 10 120 48.62 10 3.32E+02 0 2.38E-08 -1.28E-08 5.01E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 15 120.05 37.22 15 3.18E+02 0 2.84E-08 -2.62E-08 4.77E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 20 120.1 47.6 20 3.13E+02 0 2.05E-08 -2.25E-08 5.39E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 25 120.15 55.83 25 3.17E+02 0 1.56E-08 -1.50E-08 5.13E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 30 120.2 56.32 30 3.06E+02 0 1.33E-08 -1.85E-08 5.49E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 35 120.25 59.72 35 2.90E+02 0 6.46E-09 -1.81E-08 5.28E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 40 120.3 47.36 40 3.16E+02 0 2.22E-08 -2.19E-08 5.47E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 45 120.35 42.79 45 3.18E+02 0 3.16E-08 -2.91E-08 6.45E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 50 120.4 47.45 50 3.13E+02 0 3.03E-08 -3.28E-08 7.90E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 55 120.45 45.98 55 3.12E+02 0 3.02E-08 -3.41E-08 7.61E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 60 120.5 42.82 60 3.14E+02 0 3.41E-08 -3.61E-08 7.39E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 65 120.55 38.33 65 3.08E+02 0 3.33E-08 -4.48E-08 7.23E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 70 120.6 33.45 70 3.10E+02 0 4.29E-08 -5.21E-08 7.25E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 75 120.65 36.06 75 3.08E+02 0 3.48E-08 -4.61E-08 6.79E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 80 120.7 36.59 80 3.06E+02 0 2.96E-08 -4.09E-08 6.06E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 85 120.75 35.71 85 3.04E+02 0 2.56E-08 -3.85E-08 5.39E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 90 120.8 37.2 90 3.11E+02 0 2.50E-08 -2.91E-08 4.71E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 95 120.85 56.97 95 3.21E+02 0 1.48E-08 -1.22E-08 4.81E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 100 120.9 58.36 100 1.29E+02 0 -1.28E-08 1.60E-08 5.38E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 105 120.95 62.9 105 1.29E+02 0 -1.12E-08 1.39E-08 5.64E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 110 121 53.38 110 2.68E+02 0 -1.06E-09 -2.05E-08 4.41E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 115 121.05 27.98 115 2.87E+02 0 1.18E-08 -3.89E-08 3.48E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 120 121.1 47.73 120 3.06E+02 0 1.54E-08 -2.22E-08 4.84E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 125 121.15 55.34 125 3.07E+02 0 1.07E-08 -1.48E-08 4.32E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 130 121.2 57.82 130 3.05E+02 0 9.13E-09 -1.33E-08 4.08E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 135 121.25 64.12 135 3.05E+02 0 7.50E-09 -1.12E-08 4.47E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 140 121.3 18.46 140 3.26E+02 0 8.77E-08 -6.14E-08 5.82E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 145 121.35 18.14 145 3.28E+02 0 6.34E-08 -3.99E-08 4.00E-08 03/08/97 1 Yes 946 172 1060 C 14 H 3 150 121.4 76.47 150 2.66E+02 0 -2.33E-10 -3.21E-09 2.11E-08 03/08/97 1 Yes 946 172 1060 C 14 H 4 0 121.4 13.43 0 1.06E+02 0 -4.19E-09 1.50E-08 5.79E-09 03/08/97 1 Yes 948 172 1060 C 14 H 4 5 121.45 81.53 5 1.38E+01 0 2.03E-09 4.11E-10 2.28E-08 03/08/97 1 Yes 948 172 1060 C 14 H 4 10 121.5 62.62 10 2.37E+02 0 -5.66E-09 -8.88E-09 3.31E-08 03/08/97 1 Yes 948 172 1060 C 14 H 4 15 121.55 38.11 15 1.96E+02 0 -1.20E-08 -3.51E-09 1.63E-08 03/08/97 1 Yes 948 172 1060 C 14 H 4 20 121.6 73.23 20 8.75E+01 0 1.33E-10 3.30E-09 1.84E-08 03/08/97 1 Yes 948 172 1060 C 14 H 4 25 121.65 79.12 25 1.71E+02 0 -3.05E-09 3.60E-10 2.72E-08 03/08/97 1 Yes 948 172 1060 C 14 H 4 30 121.7 76.17 30 2.28E+02 0 -4.14E-09 -5.03E-09 4.34E-08 03/08/97 1 Yes 948 172 1060 C 14 H 4 35 121.75 75.27 35 2.90E+02 0 4.45E-09 -1.24E-08 8.06E-08 03/08/97 1 Yes 948 172 1060 C 14 H 4 40 121.8 63.51 40 2.33E+02 0 -2.29E-08 -3.18E-08 1.27E-07 03/08/97 1 Yes 948 172 1060 C 14 H 4 45 121.85 51.56 45 2.20E+02 0 -3.39E-08 -2.92E-08 9.15E-08 03/08/97 1 Yes 948 172 1060 C 14 H 4 50 121.9 75.53 50 2.05E+02 0 -5.09E-09 -2.40E-09 3.57E-08 03/08/97 1 Yes 948 172 1060 C 14 H 5 0 121.94 47.19 0 4.63E+01 0 3.57E-09 3.65E-09 8.73E-09 03/08/97 1 Yes 950 172 1060 C 14 H 5 5 121.99 60.74 5 3.42E+02 0 1.49E-08 -5.02E-09 4.58E-08 03/08/97 1 Yes 950 172 1060 C 14 H 5 10 122.04 47.45 10 2.38E+02 0 -1.86E-08 -3.09E-08 6.36E-08 03/08/97 1 Yes 950 172 1060 C 14 H 5 15 122.09 48.77 15 2.12E+02 0 -2.55E-08 -1.65E-08 5.67E-08 03/08/97 1 Yes 950 172 1060 C 14 H 5 20 122.14 75.85 20 6.87E+01 0 1.53E-09 3.95E-09 2.78E-08 03/08/97 1 Yes 950 172 1060 C 14 H 5 25 122.19 59.48 25 2.55E+02 0 -1.98E-09 -7.90E-09 2.20E-08 03/08/97 1 Yes 950 172 1060 C 14 H 5 30 122.24 86.82 30 1.68E+02 0 -4.60E-10 1.18E-10 1.93E-08 03/08/97 1 Yes 950 172 1060 C 14 H 5 35 122.29 70.52 35 2.37E+02 0 -1.95E-09 -3.11E-09 1.70E-08 03/08/97 1 Yes 950 172 1060 C 14 H 5 40 122.34 66.88 40 2.34E+02 0 -2.42E-09 -3.54E-09 1.61E-08 03/08/97 1 Yes 950 172 1060 C 14 H 5 45 122.39 78.23 45 2.21E+02 0 -1.57E-09 -1.58E-09 1.77E-08 03/08/97 1 Yes 950 172 1060 C 14 H 5 50 122.44 72.19 50 2.10E+02 0 -3.42E-09 -1.94E-09 2.02E-08 03/08/97 1 Yes 950 172 1060 C 14 H 5 55 122.49 71.98 55 2.14E+02 0 -3.50E-09 -2.58E-09 2.24E-08 03/08/97 1 Yes 950 172 1060 C 14 H 5 60 122.54 68.06 60 2.18E+02 0 -4.16E-09 -4.24E-09 2.47E-08 03/08/97 1 Yes 950 172 1060 C 14 H 5 65 122.59 73.85 65 1.69E+02 0 -4.76E-09 7.96E-10 2.62E-08 03/08/97 1 Yes 950 172 1060 C 14 H 5 70 122.64 74.18 70 1.47E+02 0 -3.47E-09 2.35E-09 2.41E-08 03/08/97 1 Yes 950 172 1060 C 14 H 5 75 122.69 76.59 75 1.47E+02 0 -3.02E-09 1.93E-09 2.58E-08 03/08/97 1 Yes 950 172 1060 C 14 H 5 80 122.74 53.62 80 2.19E+02 0 -8.11E-09 -6.82E-09 2.38E-08 03/08/97 1 Yes 950 172 1060 C 14 H 5 85 122.79 52.35 85 2.38E+02 0 -5.04E-09 -8.22E-09 2.07E-08 03/08/97 1 Yes 950 172 1060 C 14 H 5 90 122.84 55.32 90 2.28E+02 0 -6.01E-09 -7.05E-09 2.18E-08 03/08/97 1 Yes 950 172 1060 C 14 H 5 95 122.89 51.02 95 2.14E+02 0 -8.91E-09 -6.19E-09 2.22E-08 03/08/97 1 Yes 950 172 1060 C 14 H 5 100 122.94 68.72 100 2.62E+02 0 -7.59E-10 -6.01E-09 2.56E-08 03/08/97 1 Yes 950 172 1060 C 14 H 5 105 122.99 82.94 105 1.81E+02 0 -3.39E-09 -1.40E-10 4.38E-08 03/08/97 1 Yes 950 172 1060 C 14 H 5 110 123.04 52 110 1.90E+02 0 -1.96E-08 -3.55E-09 4.14E-08 03/08/97 1 Yes 950 172 1060 C 14 H 5 115 123.09 53.23 115 2.13E+02 0 -1.65E-08 -1.11E-08 4.37E-08 03/08/97 1 Yes 950 172 1060 C 14 H 5 120 123.14 43.83 120 2.32E+02 0 -2.11E-08 -2.76E-08 5.42E-08 03/08/97 1 Yes 950 172 1060 C 14 H 5 125 123.19 44.27 125 2.37E+02 0 -2.01E-08 -3.18E-08 5.93E-08 03/08/97 1 Yes 950 172 1060 C 14 H 5 130 123.24 55.06 130 2.17E+02 0 -1.67E-08 -1.32E-08 4.95E-08 03/08/97 1 Yes 950 172 1060 C 14 H 5 135 123.29 57.39 135 1.93E+02 0 -1.43E-08 -3.38E-09 3.78E-08 03/08/97 1 Yes 950 172 1060 C 14 H 5 140 123.34 58.77 140 2.09E+02 0 -1.11E-08 -6.32E-09 3.41E-08 03/08/97 1 Yes 950 172 1060 C 14 H 5 145 123.39 64.63 145 1.97E+02 0 -8.81E-09 -2.89E-09 3.22E-08 03/08/97 1 Yes 950 172 1060 C 14 H 5 150 123.44 63.75 150 2.15E+02 0 -5.75E-09 -4.36E-09 2.42E-08 03/08/97 1 Yes 950 172 1060 C 14 H 6 0 123.44 59.3 0 2.44E+02 0 -6.02E-09 -1.30E-08 3.83E-08 03/08/97 1 Yes 952 172 1060 C 14 H 6 5 123.49 54.73 5 2.30E+02 0 -9.85E-09 -1.23E-08 3.58E-08 03/08/97 1 Yes 952 172 1060 C 14 H 6 10 123.54 58.49 10 2.11E+02 0 -8.21E-09 -4.90E-09 2.56E-08 03/08/97 1 Yes 952 172 1060 C 14 H 6 15 123.59 67.21 15 2.28E+02 0 -4.00E-09 -4.53E-09 2.35E-08 03/08/97 1 Yes 952 172 1060 C 14 H 6 20 123.64 68.24 20 2.53E+02 0 -2.01E-09 -6.50E-09 2.69E-08 03/08/97 1 Yes 952 172 1060 C 14 H 6 25 123.69 54.37 25 2.41E+02 0 -6.68E-09 -1.25E-08 3.17E-08 03/08/97 1 Yes 952 172 1060 C 14 H 6 30 123.74 53.91 30 2.33E+02 0 -7.44E-09 -1.02E-08 2.82E-08 03/08/97 1 Yes 952 172 1060 C 14 H 6 35 123.79 60.24 35 2.34E+02 0 -5.85E-09 -8.22E-09 2.86E-08 03/08/97 1 Yes 952 172 1060 C 14 H 6 40 123.84 63.41 40 2.27E+02 0 -6.68E-09 -7.34E-09 3.20E-08 03/08/97 1 Yes 952 172 1060 C 14 H 6 45 123.89 61.94 45 2.04E+02 0 -1.07E-08 -4.94E-09 3.62E-08 03/08/97 1 Yes 952 172 1060 C 14 H 6 50 123.94 55.22 50 2.06E+02 0 -1.36E-08 -6.70E-09 3.56E-08 03/08/97 1 Yes 952 172 1060 C 14 H 6 55 123.99 47.63 55 2.17E+02 0 -1.45E-08 -1.13E-08 3.29E-08 03/08/97 1 Yes 952 172 1060 C 14 H 6 60 124.04 47.08 60 2.26E+02 0 -1.08E-08 -1.24E-08 2.91E-08 03/08/97 1 Yes 952 172 1060 C 14 H 6 65 124.09 49.43 65 2.32E+02 0 -9.50E-09 -1.20E-08 2.91E-08 03/08/97 1 Yes 952 172 1060 C 14 H 6 70 124.14 55.08 70 2.31E+02 0 -8.17E-09 -1.01E-08 3.04E-08 03/08/97 1 Yes 952 172 1060 C 14 H 6 75 124.19 57.2 75 2.32E+02 0 -7.01E-09 -9.47E-09 2.96E-08 03/08/97 1 Yes 952 172 1060 C 14 H 6 80 124.24 58.59 80 2.39E+02 0 -5.54E-09 -9.47E-09 2.92E-08 03/08/97 1 Yes 952 172 1060 C 14 H 6 85 124.29 56.75 85 2.33E+02 0 -6.45E-09 -8.68E-09 2.71E-08 03/08/97 1 Yes 952 172 1060 C 14 H 6 90 124.34 62.6 90 2.36E+02 0 -3.37E-09 -5.14E-09 1.92E-08 03/08/97 1 Yes 952 172 1060 C 14 H 6 95 124.39 66.94 95 2.50E+02 0 -1.43E-09 -4.17E-09 1.69E-08 03/08/97 1 Yes 952 172 1060 C 14 H 6 100 124.44 57.35 100 2.47E+02 0 -2.78E-09 -6.67E-09 1.86E-08 03/08/97 1 Yes 952 172 1060 C 14 H 6 105 124.49 66.17 105 2.38E+02 0 -3.19E-09 -4.91E-09 2.12E-08 03/08/97 1 Yes 952 172 1060 C 14 H 6 110 124.54 72.92 110 2.44E+02 0 -2.18E-09 -4.05E-09 2.30E-08 03/08/97 1 Yes 952 172 1060 C 14 H 6 115 124.59 63.6 115 2.21E+02 0 -4.75E-09 -4.41E-09 2.15E-08 03/08/97 1 Yes 952 172 1060 C 14 H 6 120 124.64 58.38 120 2.33E+02 0 -4.14E-09 -5.42E-09 1.82E-08 03/08/97 1 Yes 952 172 1060 C 14 H 6 125 124.69 64.57 125 2.45E+02 0 -2.31E-09 -4.66E-09 1.77E-08 03/08/97 1 Yes 952 172 1060 C 14 H 6 130 124.74 68.5 130 2.41E+02 0 -2.16E-09 -4.39E-09 1.96E-08 03/08/97 1 Yes 952 172 1060 C 14 H 6 135 124.79 58 135 2.30E+02 0 -5.31E-09 -6.42E-09 2.16E-08 03/08/97 1 Yes 952 172 1060 C 14 H 6 140 124.84 55.87 140 2.21E+02 0 -4.93E-09 -4.24E-09 1.53E-08 03/08/97 1 Yes 952 172 1060 C 14 H 6 145 124.89 76.55 145 1.69E+02 0 -6.12E-10 9.01E-11 4.27E-09 03/08/97 1 Yes 952 172 1060 C 14 H 6 150 124.94 14.44 150 6.19E+01 0 5.12E-10 8.04E-10 5.05E-10 03/08/97 1 Yes 952 172 1060 C 14 H 6 0 123.44 76.2 0 3.50E+02 0 1.66E-09 -3.99E-10 1.06E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 5 123.49 61.85 5 2.48E+02 0 -3.50E-09 -8.79E-09 2.83E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 10 123.54 57.31 10 2.47E+02 0 -5.76E-09 -1.39E-08 3.79E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 15 123.59 54.03 15 2.22E+02 0 -1.02E-08 -9.58E-09 3.15E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 20 123.64 60.39 20 2.08E+02 0 -7.00E-09 -3.86E-09 2.28E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 25 123.69 65.86 25 2.34E+02 0 -3.73E-09 -5.35E-09 2.34E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 30 123.74 67.51 30 2.53E+02 0 -1.84E-09 -6.59E-09 2.68E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 35 123.79 61.15 35 2.44E+02 0 -4.59E-09 -9.43E-09 3.09E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 40 123.84 59.37 40 2.33E+02 0 -5.97E-09 -8.20E-09 2.77E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 45 123.89 60.25 45 2.33E+02 0 -5.83E-09 -8.15E-09 2.85E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 50 123.94 62.38 50 2.26E+02 0 -7.19E-09 -7.37E-09 3.21E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 55 123.99 60.33 55 2.04E+02 0 -1.10E-08 -5.13E-09 3.52E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 60 124.04 52.35 60 2.09E+02 0 -1.32E-08 -8.35E-09 3.41E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 65 124.09 46.83 65 2.25E+02 0 -1.24E-08 -1.22E-08 3.04E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 70 124.14 47.45 70 2.35E+02 0 -9.00E-09 -1.29E-08 2.81E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 75 124.19 51.42 75 2.32E+02 0 -8.33E-09 -1.11E-08 2.83E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 80 124.24 55.03 80 2.34E+02 0 -7.22E-09 -1.03E-08 2.94E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 85 124.29 57.39 85 2.38E+02 0 -5.62E-09 -9.15E-09 2.77E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 90 124.34 57.46 90 2.41E+02 0 -5.13E-09 -9.67E-09 2.78E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 95 124.39 55.8 95 2.37E+02 0 -5.25E-09 -8.41E-09 2.40E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 100 124.44 64.72 100 2.40E+02 0 -2.34E-09 -4.19E-09 1.72E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 105 124.49 64.21 105 2.51E+02 0 -1.67E-09 -4.67E-09 1.67E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 110 124.54 58.59 110 2.48E+02 0 -2.86E-09 -6.61E-09 1.88E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 115 124.59 70.13 115 2.43E+02 0 -1.89E-09 -4.12E-09 2.06E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 120 124.64 71.81 120 2.43E+02 0 -1.98E-09 -3.93E-09 2.24E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 125 124.69 60.42 125 2.26E+02 0 -4.71E-09 -4.81E-09 1.95E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 130 124.74 58.6 130 2.38E+02 0 -3.21E-09 -5.62E-09 1.71E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 135 124.79 64.35 135 2.45E+02 0 -1.98E-09 -4.61E-09 1.71E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 140 124.84 64.42 140 2.45E+02 0 -2.61E-09 -5.36E-09 2.01E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 145 124.89 55.57 145 2.32E+02 0 -5.26E-09 -6.83E-09 2.05E-08 03/08/97 1 Yes 953 172 1060 C 14 H 6 150 124.94 55.93 150 2.20E+02 0 -3.63E-09 -3.22E-09 1.20E-08 03/08/97 1 Yes 953 172 1060 C 14 H 7 0 124.94 56.67 0 2.67E+02 0 -8.37E-11 -3.12E-09 7.14E-09 03/08/97 1 Yes 954 172 1060 C 14 H 7 5 124.99 55.93 5 2.55E+02 0 -1.38E-09 -5.43E-09 1.32E-08 03/08/97 1 Yes 954 172 1060 C 14 H 7 10 125.04 65.8 10 2.75E+02 0 3.92E-10 -4.01E-09 1.49E-08 03/08/97 1 Yes 954 172 1060 C 14 H 7 15 125.09 71.79 15 3.05E+02 0 2.05E-09 -2.90E-09 1.76E-08 03/08/97 1 Yes 954 172 1060 C 14 H 7 20 125.14 74.27 20 2.61E+02 0 -5.93E-10 -3.69E-09 2.08E-08 03/08/97 1 Yes 954 172 1060 C 14 H 7 25 125.19 63.49 25 2.59E+02 0 -1.30E-09 -7.37E-09 2.39E-08 03/08/97 1 Yes 954 172 1060 C 14 H 7 30 125.24 69.78 30 2.65E+02 0 -6.14E-10 -8.77E-09 3.84E-08 03/08/97 1 Yes 954 172 1060 C 14 H 7 35 125.29 55.49 35 2.38E+02 0 -1.02E-08 -1.65E-08 4.57E-08 03/08/97 1 Yes 954 172 1060 C 14 H 7 40 125.34 49.48 40 2.21E+02 0 -1.67E-08 -1.51E-08 4.28E-08 03/08/97 1 Yes 954 172 1060 C 14 H 7 45 125.39 41.34 45 2.18E+02 0 -1.61E-08 -1.30E-08 2.98E-08 03/08/97 1 Yes 954 172 1060 C 14 H 7 50 125.44 41.46 50 2.27E+02 0 -9.97E-09 -1.10E-08 2.15E-08 03/08/97 1 Yes 954 172 1060 C 14 H 7 55 125.49 34.66 55 2.30E+02 0 -1.05E-08 -1.29E-08 1.88E-08 03/08/97 1 Yes 954 172 1060 C 14 H 7 60 125.54 37.14 60 2.34E+02 0 -8.97E-09 -1.37E-08 2.05E-08 03/08/97 1 Yes 954 172 1060 C 14 H 7 65 125.59 49.77 65 2.18E+02 0 -9.35E-09 -7.29E-09 2.30E-08 03/08/97 1 Yes 954 172 1060 C 14 H 7 70 125.64 55.75 70 2.23E+02 0 -6.16E-09 -5.71E-09 2.05E-08 03/08/97 1 Yes 954 172 1060 C 14 H 7 75 125.69 55.06 75 2.32E+02 0 -5.33E-09 -7.20E-09 2.10E-08 03/08/97 1 Yes 954 172 1060 C 14 H 7 80 125.74 55.12 80 2.40E+02 0 -4.68E-09 -8.46E-09 2.28E-08 03/08/97 1 Yes 954 172 1060 C 14 H 7 85 125.79 55.46 85 2.51E+02 0 -2.96E-09 -8.84E-09 2.25E-08 03/08/97 1 Yes 954 172 1060 C 14 H 7 90 125.84 58.13 90 2.38E+02 0 -4.81E-09 -8.01E-09 2.45E-08 03/08/97 1 Yes 954 172 1060 C 14 H 7 95 125.89 53.93 95 2.34E+02 0 -7.00E-09 -9.84E-09 2.73E-08 03/08/97 1 Yes 954 172 1060 C 14 H 7 100 125.94 53.55 100 2.35E+02 0 -7.60E-09 -1.10E-08 2.99E-08 03/08/97 1 Yes 954 172 1060 C 14 H 7 105 125.99 59.12 105 2.24E+02 0 -8.26E-09 -8.02E-09 3.13E-08 03/08/97 1 Yes 954 172 1060 C 14 H 7 110 126.04 67.2 110 2.20E+02 0 -6.13E-09 -5.12E-09 3.02E-08 03/08/97 1 Yes 954 172 1060 C 14 H 7 115 126.09 64.47 115 1.96E+02 0 -7.80E-09 -2.30E-09 2.87E-08 03/08/97 1 Yes 954 172 1060 C 14 H 7 120 126.14 61.62 120 2.34E+02 0 -5.34E-09 -7.40E-09 2.79E-08 03/08/97 1 Yes 954 172 1060 C 14 H 7 125 126.19 61.07 125 2.23E+02 0 -7.78E-09 -7.32E-09 3.17E-08 03/08/97 1 Yes 954 172 1060 C 14 H 7 130 126.24 57.12 130 2.13E+02 0 -9.88E-09 -6.73E-09 3.04E-08 03/08/97 1 Yes 954 172 1060 C 14 H 7 135 126.29 52.6 135 2.24E+02 0 -8.78E-09 -8.84E-09 2.67E-08 03/08/97 1 Yes 954 172 1060 C 14 H 7 140 126.34 51.25 140 2.48E+02 0 -4.94E-09 -1.19E-08 2.61E-08 03/08/97 1 Yes 954 172 1060 C 14 H 7 145 126.39 45.12 145 2.57E+02 0 -3.56E-09 -1.60E-08 2.66E-08 03/08/97 1 Yes 954 172 1060 C 14 H 7 150 126.44 35.37 150 2.58E+02 0 -3.30E-09 -1.60E-08 1.88E-08 03/08/97 1 Yes 954