Table 14B. Continuous split-core remanent measurements for Hole 1058C 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 1058 C 1 H 1 0 0 329.53 61.65 1.20E-03 20 5.22E-08 -3.14E-08 1.83E-07 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 5 0.05 97.55 79.37 3.35E-03 20 -8.61E-09 6.64E-08 5.71E-07 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 10 0.1 122.61 67.18 5.49E-03 20 -1.22E-07 1.95E-07 8.77E-07 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 15 0.15 110.15 64.4 5.90E-03 20 -9.32E-08 2.60E-07 9.22E-07 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 20 0.2 68.85 57.85 5.43E-03 20 1.11E-07 2.92E-07 7.97E-07 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 25 0.25 72.07 77.83 6.09E-03 20 4.19E-08 1.33E-07 1.03E-06 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 30 0.3 125.49 58.63 1.05E-02 20 -3.36E-07 4.82E-07 1.55E-06 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 35 0.35 103.94 51.76 1.44E-02 20 -2.27E-07 9.36E-07 1.96E-06 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 40 0.4 105.88 51.93 1.46E-02 20 -2.61E-07 9.38E-07 1.99E-06 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 45 0.45 116.27 57.14 1.25E-02 20 -3.17E-07 6.57E-07 1.81E-06 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 50 0.5 112.6 61.66 1.07E-02 20 -2.06E-07 5.07E-07 1.63E-06 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 55 0.55 107.53 68.31 1.00E-02 20 -1.18E-07 3.82E-07 1.61E-06 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 60 0.6 110.46 62.44 1.02E-02 20 -1.76E-07 4.82E-07 1.57E-06 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 65 0.65 112.14 60.04 9.97E-03 20 -1.99E-07 5.00E-07 1.50E-06 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 70 0.7 106.84 63.3 9.31E-03 20 -1.28E-07 4.34E-07 1.44E-06 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 75 0.75 105.36 64.53 8.70E-03 20 -1.05E-07 3.92E-07 1.36E-06 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 80 0.8 98.92 65.16 8.22E-03 20 -5.68E-08 3.70E-07 1.29E-06 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 85 0.85 105.79 55.54 1.16E-02 20 -1.90E-07 6.88E-07 1.67E-06 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 90 0.9 111.64 52.04 1.29E-02 20 -3.11E-07 8.01E-07 1.77E-06 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 95 0.95 117.79 53.88 1.21E-02 20 -3.52E-07 6.82E-07 1.69E-06 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 100 1 129.78 55.39 1.05E-02 20 -4.04E-07 4.96E-07 1.50E-06 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 105 1.05 125.36 57.39 9.98E-03 20 -3.30E-07 4.76E-07 1.46E-06 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 110 1.1 108.13 57.15 1.12E-02 20 -2.01E-07 6.29E-07 1.64E-06 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 115 1.15 106.08 54.81 1.41E-02 20 -2.39E-07 8.47E-07 2.00E-06 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 120 1.2 107.99 51.61 1.48E-02 20 -3.02E-07 9.50E-07 2.01E-06 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 125 1.25 104.1 51.52 1.42E-02 20 -2.28E-07 9.26E-07 1.92E-06 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 130 1.3 99.77 50.22 1.45E-02 20 -1.67E-07 9.90E-07 1.93E-06 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 135 1.35 98.9 45.76 1.56E-02 20 -1.79E-07 1.17E-06 1.94E-06 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 140 1.4 100.69 42.08 1.69E-02 20 -2.46E-07 1.33E-06 1.96E-06 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 145 1.45 114.7 39.37 1.53E-02 20 -5.24E-07 1.17E-06 1.68E-06 03/01/97 Yes Yes 3665 172 1058 C 1 H 1 150 1.5 137.53 43.67 7.65E-03 20 -4.33E-07 4.05E-07 9.15E-07 03/01/97 Yes Yes 3665 172 1058 C 1 H 2 0 1.5 97.11 33.74 9.40E-03 20 -1.03E-07 8.41E-07 9.05E-07 03/01/97 Yes Yes 3667 172 1058 C 1 H 2 5 1.55 114.75 29.79 1.78E-02 20 -6.85E-07 1.52E-06 1.53E-06 03/01/97 Yes Yes 3667 172 1058 C 1 H 2 10 1.6 127.38 27.14 1.09E-02 20 -6.26E-07 8.37E-07 8.63E-07 03/01/97 Yes Yes 3667 172 1058 C 1 H 2 15 1.65 109.92 48.48 7.01E-03 20 -1.68E-07 4.74E-07 9.09E-07 03/01/97 Yes Yes 3667 172 1058 C 1 H 2 20 1.7 105.19 49.65 1.15E-02 20 -2.06E-07 7.76E-07 1.51E-06 03/01/97 Yes Yes 3667 172 1058 C 1 H 2 25 1.75 104.76 40.73 1.43E-02 20 -2.92E-07 1.14E-06 1.62E-06 03/01/97 Yes Yes 3667 172 1058 C 1 H 2 30 1.8 103.4 32.76 1.41E-02 20 -2.92E-07 1.25E-06 1.33E-06 03/01/97 Yes Yes 3667 172 1058 C 1 H 2 35 1.85 90.49 36.41 1.17E-02 20 -8.57E-09 1.02E-06 1.21E-06 03/01/97 Yes Yes 3667 172 1058 C 1 H 2 40 1.9 81.2 43.41 1.28E-02 20 1.50E-07 9.93E-07 1.52E-06 03/01/97 Yes Yes 3667 172 1058 C 1 H 2 45 1.95 110.11 36.62 1.46E-02 20 -4.28E-07 1.20E-06 1.51E-06 03/01/97 Yes Yes 3667 172 1058 C 1 H 2 50 2 131.83 18.86 1.08E-02 20 -7.26E-07 8.30E-07 6.08E-07 03/01/97 Yes Yes 3667 172 1058 C 1 H 2 55 2.05 78.04 44.98 9.70E-03 20 1.51E-07 7.28E-07 1.19E-06 03/01/97 Yes Yes 3667 172 1058 C 1 H 2 60 2.1 76.23 68.57 2.52E-02 20 2.33E-07 9.72E-07 4.07E-06 03/01/97 Yes Yes 3667 172 1058 C 1 H 2 65 2.15 144.56 52.71 3.14E-02 20 -1.65E-06 1.20E-06 4.34E-06 03/01/97 Yes Yes 3667 172 1058 C 1 H 2 70 2.2 139.78 49.35 2.29E-02 20 -1.21E-06 1.04E-06 3.01E-06 03/01/97 Yes Yes 3667 172 1058 C 1 H 2 75 2.25 120.48 48.13 1.48E-02 20 -5.32E-07 9.25E-07 1.91E-06 03/01/97 Yes Yes 3667 172 1058 C 1 H 2 80 2.3 93.06 60.29 5.23E-03 20 -1.47E-08 2.81E-07 7.88E-07 03/01/97 Yes Yes 3667 172 1058 C 2 H 1 0 2.5 228.62 -11.66 1.25E-03 20 -8.58E-08 -9.96E-08 -4.38E-08 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 5 2.55 286.11 23.18 2.42E-03 20 6.54E-08 -2.31E-07 1.65E-07 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 10 2.6 68.75 68.48 5.16E-03 20 7.27E-08 1.91E-07 8.32E-07 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 15 2.65 98.3 46.94 8.49E-03 20 -8.87E-08 6.22E-07 1.08E-06 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 20 2.7 78.38 47.91 8.63E-03 20 1.24E-07 6.15E-07 1.11E-06 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 25 2.75 78.59 45.13 1.05E-02 20 1.55E-07 7.85E-07 1.29E-06 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 30 2.8 88.52 50.11 1.08E-02 20 1.90E-08 7.48E-07 1.43E-06 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 35 2.85 95.39 63.82 1.02E-02 20 -4.47E-08 4.85E-07 1.58E-06 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 40 2.9 100.07 66.62 1.12E-02 20 -8.25E-08 4.75E-07 1.78E-06 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 45 2.95 90.31 58.59 1.34E-02 20 -4.05E-09 7.58E-07 1.99E-06 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 50 3 80.46 50.11 1.53E-02 20 1.72E-07 1.05E-06 2.03E-06 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 55 3.05 79.33 49.84 1.68E-02 20 2.13E-07 1.16E-06 2.23E-06 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 60 3.1 88.39 51.71 1.61E-02 20 2.97E-08 1.08E-06 2.19E-06 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 65 3.15 89.58 54.92 1.37E-02 20 6.10E-09 8.51E-07 1.94E-06 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 70 3.2 94.09 56.45 1.15E-02 20 -4.80E-08 6.86E-07 1.66E-06 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 75 3.25 100.42 54.29 1.00E-02 20 -1.12E-07 6.23E-07 1.41E-06 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 80 3.3 104.73 46.75 9.11E-03 20 -1.68E-07 6.55E-07 1.15E-06 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 85 3.35 104.65 43.2 9.41E-03 20 -1.84E-07 7.19E-07 1.12E-06 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 90 3.4 106.46 44.87 9.48E-03 20 -2.02E-07 6.99E-07 1.16E-06 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 95 3.45 100.86 45.22 8.89E-03 20 -1.25E-07 6.67E-07 1.09E-06 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 100 3.5 90.79 48.19 8.46E-03 20 -8.22E-09 6.12E-07 1.09E-06 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 105 3.55 82.05 53.97 8.08E-03 20 6.97E-08 5.10E-07 1.13E-06 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 110 3.6 84.04 58.02 8.49E-03 20 4.95E-08 4.85E-07 1.25E-06 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 115 3.65 88.89 57.52 9.62E-03 20 1.06E-08 5.60E-07 1.41E-06 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 120 3.7 91.44 55.81 1.12E-02 20 -1.68E-08 6.80E-07 1.60E-06 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 125 3.75 102.02 55.98 1.21E-02 20 -1.50E-07 7.19E-07 1.74E-06 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 130 3.8 103.65 54.1 1.24E-02 20 -1.82E-07 7.68E-07 1.75E-06 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 135 3.85 101.97 50.88 1.30E-02 20 -1.81E-07 8.72E-07 1.75E-06 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 140 3.9 99.49 44.4 1.44E-02 20 -1.80E-07 1.10E-06 1.75E-06 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 145 3.95 100.85 40.83 1.32E-02 20 -2.00E-07 1.07E-06 1.50E-06 03/01/97 Yes Yes 3669 172 1058 C 2 H 1 150 4 107.83 52.82 5.11E-03 20 -1.00E-07 3.19E-07 7.06E-07 03/01/97 Yes Yes 3669 172 1058 C 2 H 2 0 4 125.4 51.48 9.11E-03 20 -3.49E-07 5.02E-07 1.24E-06 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 5 4.05 127 46.79 1.29E-02 20 -5.65E-07 7.67E-07 1.63E-06 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 10 4.1 118.68 54.05 1.30E-02 20 -3.88E-07 7.25E-07 1.82E-06 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 15 4.15 120.66 61.21 1.35E-02 20 -3.51E-07 6.05E-07 2.04E-06 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 20 4.2 130.67 63.11 1.31E-02 20 -4.09E-07 4.87E-07 2.02E-06 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 25 4.25 125.45 58.87 1.21E-02 20 -3.85E-07 5.53E-07 1.80E-06 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 30 4.3 116.26 52.53 1.17E-02 20 -3.34E-07 6.92E-07 1.61E-06 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 35 4.35 110.43 49.78 1.15E-02 20 -2.74E-07 7.52E-07 1.52E-06 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 40 4.4 108.96 48.27 1.09E-02 20 -2.50E-07 7.43E-07 1.41E-06 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 45 4.45 110.18 54.67 9.86E-03 20 -2.09E-07 5.80E-07 1.39E-06 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 50 4.5 109.72 49.22 9.60E-03 20 -2.24E-07 6.40E-07 1.26E-06 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 55 4.55 100.76 39.76 9.88E-03 20 -1.50E-07 8.09E-07 1.10E-06 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 60 4.6 97.15 35.95 1.11E-02 20 -1.18E-07 9.66E-07 1.13E-06 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 65 4.65 94.53 37.03 1.08E-02 20 -7.25E-08 9.35E-07 1.13E-06 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 70 4.7 94.69 36.52 1.07E-02 20 -7.47E-08 9.31E-07 1.11E-06 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 75 4.75 95.43 33.49 1.11E-02 20 -9.29E-08 1.00E-06 1.06E-06 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 80 4.8 93.74 28.18 1.24E-02 20 -7.54E-08 1.18E-06 1.01E-06 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 85 4.85 90.09 25.17 1.24E-02 20 -1.96E-09 1.21E-06 9.13E-07 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 90 4.9 83.55 25.78 1.07E-02 20 1.15E-07 1.04E-06 8.09E-07 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 95 4.95 80.28 26.37 9.33E-03 20 1.50E-07 8.93E-07 7.18E-07 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 100 5 77.61 25.9 7.76E-03 20 1.59E-07 7.39E-07 5.88E-07 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 105 5.05 77.59 24.9 6.83E-03 20 1.41E-07 6.56E-07 4.99E-07 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 110 5.1 75.63 22.74 5.94E-03 20 1.44E-07 5.76E-07 3.98E-07 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 115 5.15 75.73 28.57 5.32E-03 20 1.22E-07 4.91E-07 4.41E-07 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 120 5.2 84.2 32.52 6.97E-03 20 6.31E-08 6.35E-07 6.50E-07 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 125 5.25 84.26 45.09 7.37E-03 20 5.52E-08 5.62E-07 9.05E-07 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 130 5.3 87 50.31 8.39E-03 20 2.97E-08 5.80E-07 1.12E-06 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 135 5.35 88.31 41.58 1.07E-02 20 2.49E-08 8.65E-07 1.23E-06 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 140 5.4 87.05 31.91 1.48E-02 20 6.86E-08 1.36E-06 1.36E-06 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 145 5.45 93.8 27.05 1.47E-02 20 -9.21E-08 1.42E-06 1.16E-06 03/01/97 Yes Yes 3671 172 1058 C 2 H 2 150 5.5 116.87 37.1 4.07E-03 20 -1.56E-07 3.14E-07 4.26E-07 03/01/97 Yes Yes 3671 172 1058 C 2 H 3 0 5.5 95.4 33.96 6.53E-03 20 -5.41E-08 5.85E-07 6.32E-07 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 5 5.55 100.44 33.8 1.15E-02 20 -1.83E-07 1.02E-06 1.11E-06 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 10 5.6 92.73 41.01 9.53E-03 20 -3.63E-08 7.79E-07 1.08E-06 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 15 5.65 88.67 44.23 9.78E-03 20 1.72E-08 7.60E-07 1.18E-06 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 20 5.7 85.79 39.08 1.11E-02 20 6.72E-08 9.33E-07 1.22E-06 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 25 5.75 96.14 39.16 1.29E-02 20 -1.13E-07 1.07E-06 1.41E-06 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 30 5.8 103.37 37.28 1.44E-02 20 -2.81E-07 1.21E-06 1.51E-06 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 35 5.85 98.26 40.28 1.35E-02 20 -1.57E-07 1.11E-06 1.52E-06 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 40 5.9 71.83 47.56 1.51E-02 20 3.38E-07 1.05E-06 1.94E-06 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 45 5.95 62.78 52.45 1.56E-02 20 4.60E-07 9.15E-07 2.14E-06 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 50 6 57.36 47.06 1.57E-02 20 6.11E-07 9.76E-07 1.99E-06 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 55 6.05 52.08 41.82 1.49E-02 20 7.25E-07 9.52E-07 1.73E-06 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 60 6.1 54.39 30.78 1.77E-02 20 9.40E-07 1.34E-06 1.57E-06 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 65 6.15 54.67 23.81 1.94E-02 20 1.09E-06 1.57E-06 1.36E-06 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 70 6.2 48.77 25.53 1.86E-02 20 1.17E-06 1.37E-06 1.39E-06 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 75 6.25 46.31 31.18 1.61E-02 20 1.01E-06 1.08E-06 1.45E-06 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 80 6.3 57.7 33.1 1.30E-02 20 6.18E-07 1.00E-06 1.23E-06 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 85 6.35 70.69 28.36 1.28E-02 20 3.94E-07 1.15E-06 1.05E-06 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 90 6.4 76.05 29.88 1.62E-02 20 3.58E-07 1.47E-06 1.40E-06 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 95 6.45 66.62 28.96 2.02E-02 20 7.44E-07 1.76E-06 1.70E-06 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 100 6.5 53.45 30.66 1.97E-02 20 1.07E-06 1.47E-06 1.74E-06 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 105 6.55 57.69 35.83 1.44E-02 20 6.62E-07 1.07E-06 1.46E-06 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 110 6.6 56.19 32.16 1.07E-02 20 5.36E-07 8.19E-07 9.91E-07 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 115 6.65 52.97 32.36 8.95E-03 20 4.83E-07 6.54E-07 8.30E-07 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 120 6.7 45.93 29.09 6.24E-03 20 4.03E-07 4.25E-07 5.26E-07 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 125 6.75 44.72 35.38 4.46E-03 20 2.74E-07 2.78E-07 4.48E-07 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 130 6.8 67.46 33.23 6.28E-03 20 2.14E-07 5.26E-07 5.97E-07 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 135 6.85 68.04 29.77 1.12E-02 20 3.84E-07 9.75E-07 9.61E-07 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 140 6.9 67.66 31.81 1.33E-02 20 4.54E-07 1.13E-06 1.21E-06 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 145 6.95 71.11 33.78 1.32E-02 20 3.76E-07 1.12E-06 1.27E-06 03/01/97 Yes Yes 3673 172 1058 C 2 H 3 150 7 84.14 47.98 5.93E-03 20 4.29E-08 4.28E-07 7.63E-07 03/01/97 Yes Yes 3673 172 1058 C 2 H 4 0 7 66.27 30.86 7.47E-03 20 2.74E-07 6.36E-07 6.64E-07 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 5 7.05 80.96 31.26 9.25E-03 20 1.32E-07 8.47E-07 8.32E-07 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 10 7.1 77.22 31.21 7.75E-03 20 1.56E-07 7.01E-07 6.96E-07 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 15 7.15 73.87 30.01 8.37E-03 20 2.13E-07 7.55E-07 7.25E-07 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 20 7.2 75.1 24.08 8.76E-03 20 2.18E-07 8.38E-07 6.20E-07 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 25 7.25 73.31 15.46 8.99E-03 20 2.64E-07 9.00E-07 4.15E-07 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 30 7.3 67.89 9.64 1.01E-02 20 3.99E-07 1.00E-06 2.94E-07 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 35 7.35 63.49 9.55 1.26E-02 20 5.87E-07 1.20E-06 3.62E-07 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 40 7.4 60.33 11.95 1.29E-02 20 6.61E-07 1.19E-06 4.62E-07 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 45 7.45 57.13 10.21 1.25E-02 20 7.09E-07 1.12E-06 3.85E-07 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 50 7.5 52.95 8.64 1.04E-02 20 6.58E-07 8.92E-07 2.72E-07 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 55 7.55 38.52 13.39 7.98E-03 20 6.44E-07 5.24E-07 3.20E-07 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 60 7.6 40.04 32.18 6.03E-03 20 4.15E-07 3.56E-07 5.57E-07 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 65 7.65 37.53 36.92 4.02E-03 20 2.71E-07 2.13E-07 4.19E-07 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 70 7.7 20.46 30.79 6.79E-03 20 5.80E-07 2.21E-07 6.02E-07 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 75 7.75 35.35 35.63 7.49E-03 20 5.26E-07 3.82E-07 7.56E-07 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 80 7.8 44.53 37.65 8.34E-03 20 5.00E-07 5.02E-07 8.83E-07 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 85 7.85 54.01 60.08 7.46E-03 20 2.32E-07 3.27E-07 1.12E-06 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 90 7.9 64.55 69.07 6.92E-03 20 1.13E-07 2.42E-07 1.12E-06 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 95 7.95 45.34 69.09 5.44E-03 20 1.45E-07 1.50E-07 8.81E-07 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 100 8 33.02 69.53 3.56E-03 20 1.11E-07 7.35E-08 5.78E-07 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 105 8.05 53.78 51.94 3.16E-03 20 1.22E-07 1.70E-07 4.31E-07 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 110 8.1 42.96 48.04 4.64E-03 20 2.41E-07 2.29E-07 5.98E-07 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 115 8.15 28.64 55.8 4.92E-03 20 2.57E-07 1.44E-07 7.05E-07 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 120 8.2 33.3 51.68 4.94E-03 20 2.72E-07 1.83E-07 6.72E-07 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 125 8.25 48.84 48.79 5.48E-03 20 2.52E-07 2.95E-07 7.15E-07 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 130 8.3 54.4 55.27 5.80E-03 20 2.04E-07 2.91E-07 8.26E-07 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 135 8.35 59.69 52.12 6.23E-03 20 2.05E-07 3.58E-07 8.53E-07 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 140 8.4 66.74 44.78 7.42E-03 20 2.21E-07 5.25E-07 9.06E-07 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 145 8.45 73.98 38.57 7.96E-03 20 1.82E-07 6.49E-07 8.60E-07 03/01/97 Yes Yes 3675 172 1058 C 2 H 4 150 8.5 99.01 52.57 3.14E-03 20 -3.17E-08 2.05E-07 4.33E-07 03/01/97 Yes Yes 3675 172 1058 C 2 H 5 0 8.5 59.28 47.09 6.39E-03 20 2.36E-07 4.05E-07 8.11E-07 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 5 8.55 61.15 49.07 9.02E-03 20 3.03E-07 5.62E-07 1.18E-06 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 10 8.6 65.47 49.84 9.11E-03 20 2.59E-07 5.79E-07 1.21E-06 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 15 8.65 73.04 48.34 8.97E-03 20 1.84E-07 6.18E-07 1.16E-06 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 20 8.7 73.93 53.4 7.92E-03 20 1.39E-07 4.92E-07 1.10E-06 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 25 8.75 85.46 52.44 8.58E-03 20 4.39E-08 5.66E-07 1.18E-06 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 30 8.8 68.39 56.43 8.35E-03 20 1.80E-07 4.66E-07 1.21E-06 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 35 8.85 50.83 54.3 8.53E-03 20 3.34E-07 4.19E-07 1.20E-06 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 40 8.9 59.52 50.85 8.27E-03 20 2.81E-07 4.88E-07 1.11E-06 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 45 8.95 67.26 46.75 8.50E-03 20 2.39E-07 5.83E-07 1.07E-06 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 50 9 70.88 44.48 9.29E-03 20 2.30E-07 6.79E-07 1.13E-06 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 55 9.05 78.95 46.37 9.72E-03 20 1.36E-07 7.14E-07 1.22E-06 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 60 9.1 85.68 54.33 1.06E-02 20 4.96E-08 6.71E-07 1.50E-06 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 65 9.15 92.14 54.48 1.10E-02 20 -2.54E-08 6.95E-07 1.56E-06 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 70 9.2 86.24 54.28 1.13E-02 20 4.60E-08 7.16E-07 1.60E-06 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 75 9.25 84.26 56.03 1.19E-02 20 7.04E-08 7.17E-07 1.71E-06 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 80 9.3 84.14 54.97 1.30E-02 20 8.05E-08 8.02E-07 1.84E-06 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 85 9.35 79.81 55.73 1.19E-02 20 1.26E-07 7.16E-07 1.71E-06 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 90 9.4 62.4 53.47 1.16E-02 20 3.38E-07 6.61E-07 1.61E-06 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 95 9.45 70.41 48.88 1.42E-02 20 3.32E-07 9.55E-07 1.86E-06 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 100 9.5 79.49 44.07 1.63E-02 20 2.27E-07 1.25E-06 1.97E-06 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 105 9.55 77.54 46.78 1.66E-02 20 2.60E-07 1.20E-06 2.09E-06 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 110 9.6 81.35 52.75 1.64E-02 20 1.59E-07 1.07E-06 2.27E-06 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 115 9.65 85.19 48.85 1.68E-02 20 9.85E-08 1.20E-06 2.20E-06 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 120 9.7 78.54 48.16 1.74E-02 20 2.44E-07 1.23E-06 2.24E-06 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 125 9.75 75.28 48.96 1.71E-02 20 3.03E-07 1.18E-06 2.24E-06 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 130 9.8 74.23 47.33 1.72E-02 20 3.37E-07 1.22E-06 2.20E-06 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 135 9.85 71.5 42.61 1.88E-02 20 4.66E-07 1.42E-06 2.21E-06 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 140 9.9 67.83 39.27 2.11E-02 20 6.53E-07 1.64E-06 2.31E-06 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 145 9.95 70.43 34.57 2.07E-02 20 6.06E-07 1.74E-06 2.04E-06 03/01/97 Yes Yes 3677 172 1058 C 2 H 5 150 10 83.62 47.2 6.74E-03 20 5.40E-08 4.94E-07 8.57E-07 03/01/97 Yes Yes 3677 172 1058 C 2 H 6 0 10 72.49 41.69 1.55E-02 20 3.70E-07 1.20E-06 1.79E-06 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 5 10.05 62.74 47.49 2.40E-02 20 7.86E-07 1.56E-06 3.06E-06 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 10 10.1 63.16 59.84 2.65E-02 20 6.37E-07 1.29E-06 3.97E-06 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 15 10.15 78.27 66.66 2.46E-02 20 2.10E-07 1.03E-06 3.91E-06 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 20 10.2 78.92 63.42 2.40E-02 20 2.19E-07 1.14E-06 3.72E-06 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 25 10.25 79.71 58.03 2.67E-02 20 2.68E-07 1.51E-06 3.93E-06 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 30 10.3 79.5 58.06 2.59E-02 20 2.65E-07 1.46E-06 3.81E-06 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 35 10.35 75.71 51.02 2.61E-02 20 4.30E-07 1.73E-06 3.52E-06 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 40 10.4 76.12 45.18 2.56E-02 20 4.59E-07 1.90E-06 3.15E-06 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 45 10.45 73.7 49.09 1.92E-02 20 3.74E-07 1.31E-06 2.51E-06 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 50 10.5 77.67 48.11 1.41E-02 20 2.14E-07 9.99E-07 1.82E-06 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 55 10.55 72.33 35.6 1.51E-02 20 3.96E-07 1.27E-06 1.53E-06 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 60 10.6 69.22 27.76 1.91E-02 20 6.35E-07 1.71E-06 1.54E-06 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 65 10.65 63.94 24.45 2.00E-02 20 8.49E-07 1.78E-06 1.44E-06 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 70 10.7 68.54 24.31 1.96E-02 20 6.94E-07 1.80E-06 1.40E-06 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 75 10.75 76.62 29.86 1.30E-02 20 2.77E-07 1.19E-06 1.12E-06 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 80 10.8 84.25 39.95 1.09E-02 20 8.90E-08 9.03E-07 1.22E-06 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 85 10.85 84.27 43.31 1.20E-02 20 9.27E-08 9.45E-07 1.43E-06 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 90 10.9 72.2 48.72 1.26E-02 20 2.70E-07 8.61E-07 1.65E-06 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 95 10.95 58.11 53.66 1.38E-02 20 4.57E-07 7.51E-07 1.92E-06 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 100 11 70.17 50.26 1.55E-02 20 3.57E-07 1.01E-06 2.07E-06 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 105 11.05 73.66 49.29 1.53E-02 20 2.98E-07 1.04E-06 2.01E-06 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 110 11.1 80.37 50.83 1.33E-02 20 1.49E-07 8.97E-07 1.79E-06 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 115 11.15 87.5 55.4 9.82E-03 20 2.58E-08 6.04E-07 1.40E-06 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 120 11.2 83.06 66.2 6.95E-03 20 3.59E-08 3.02E-07 1.10E-06 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 125 11.25 81.65 61.17 6.85E-03 20 5.09E-08 3.55E-07 1.04E-06 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 130 11.3 82.5 56.05 7.24E-03 20 5.60E-08 4.35E-07 1.04E-06 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 135 11.35 75.03 54.48 7.04E-03 20 1.12E-07 4.29E-07 9.94E-07 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 140 11.4 66.69 49.63 7.08E-03 20 1.93E-07 4.57E-07 9.36E-07 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 145 11.45 71.4 46.9 6.46E-03 20 1.49E-07 4.54E-07 8.18E-07 03/01/97 Yes Yes 3679 172 1058 C 2 H 6 150 11.5 100.62 60.75 2.48E-03 20 -2.37E-08 1.29E-07 3.74E-07 03/01/97 Yes Yes 3679 172 1058 C 2 H 7 0 11.5 63.56 45.34 4.23E-03 20 1.40E-07 2.89E-07 5.22E-07 03/01/97 Yes Yes 3681 172 1058 C 2 H 7 5 11.55 71.62 46.78 6.54E-03 20 1.50E-07 4.61E-07 8.26E-07 03/01/97 Yes Yes 3681 172 1058 C 2 H 7 10 11.6 70.28 45.98 7.10E-03 20 1.77E-07 5.04E-07 8.85E-07 03/01/97 Yes Yes 3681 172 1058 C 2 H 7 15 11.65 69.11 43.34 7.41E-03 20 2.04E-07 5.46E-07 8.82E-07 03/01/97 Yes Yes 3681 172 1058 C 2 H 7 20 11.7 82.06 47.74 5.92E-03 20 5.83E-08 4.28E-07 7.60E-07 03/01/97 Yes Yes 3681 172 1058 C 2 H 7 25 11.75 47.02 55.86 5.80E-03 20 2.36E-07 2.58E-07 8.33E-07 03/01/97 Yes Yes 3681 172 1058 C 2 H 7 30 11.8 51.54 43.86 8.41E-03 20 4.00E-07 5.15E-07 1.01E-06 03/01/97 Yes Yes 3681 172 1058 C 2 H 7 35 11.85 62.89 43.71 8.44E-03 20 2.95E-07 5.89E-07 1.01E-06 03/01/97 Yes Yes 3681 172 1058 C 2 H 7 40 11.9 59.2 42.21 7.23E-03 20 2.91E-07 4.99E-07 8.43E-07 03/01/97 Yes Yes 3681 172 1058 C 2 H 7 45 11.95 29.83 34.79 9.41E-03 20 7.11E-07 4.17E-07 9.30E-07 03/01/97 Yes Yes 3681 172 1058 C 2 H 7 50 12 7.57 41.9 1.11E-02 20 8.67E-07 1.18E-07 1.28E-06 03/01/97 Yes Yes 3681 172 1058 C 3 H 1 0 12 317.75 70.06 1.09E-02 20 2.92E-07 -2.71E-07 1.78E-06 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 5 12.05 191.9 80.49 9.02E-03 20 -1.55E-07 -3.33E-08 1.54E-06 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 10 12.1 110.31 71.36 8.60E-03 20 -1.01E-07 2.79E-07 1.41E-06 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 15 12.15 155.04 49.6 9.37E-03 20 -5.84E-07 2.78E-07 1.24E-06 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 20 12.2 118.16 -26.99 3.21E-03 20 -1.43E-07 2.73E-07 -2.52E-07 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 25 12.25 326.66 43.77 9.27E-04 20 5.93E-08 -3.99E-08 1.11E-07 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 30 12.3 210.55 36.15 6.10E-03 20 -4.50E-07 -2.72E-07 6.24E-07 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 35 12.35 203.2 41.39 6.23E-03 20 -4.56E-07 -2.00E-07 7.14E-07 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 40 12.4 201.16 38.54 6.51E-03 20 -5.04E-07 -1.99E-07 7.03E-07 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 45 12.45 205.06 32.41 6.52E-03 20 -5.29E-07 -2.53E-07 6.06E-07 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 50 12.5 204.92 39.25 4.29E-03 20 -3.19E-07 -1.52E-07 4.70E-07 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 55 12.55 199.22 62.29 2.01E-03 20 -9.37E-08 -3.34E-08 3.09E-07 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 60 12.6 41.77 83.94 1.31E-03 20 1.09E-08 9.97E-09 2.25E-07 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 65 12.65 302.86 85.16 1.29E-03 20 6.25E-09 -9.89E-09 2.22E-07 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 70 12.7 179.26 72.74 1.38E-03 20 -4.35E-08 5.78E-10 2.29E-07 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 75 12.75 226.99 78.37 1.43E-03 20 -2.08E-08 -2.28E-08 2.42E-07 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 80 12.8 219.42 60.83 2.92E-03 20 -1.17E-07 -9.80E-08 4.42E-07 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 85 12.85 200.39 48.74 4.25E-03 20 -2.78E-07 -1.06E-07 5.53E-07 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 90 12.9 194.05 47.11 3.79E-03 20 -2.66E-07 -6.80E-08 4.82E-07 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 95 12.95 193.57 42.96 3.51E-03 20 -2.65E-07 -6.54E-08 4.15E-07 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 100 13 204.98 36.86 2.78E-03 20 -2.14E-07 -1.02E-07 2.89E-07 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 105 13.05 227.97 46.68 1.50E-03 20 -7.31E-08 -8.29E-08 1.89E-07 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 110 13.1 323.49 67.74 1.02E-03 20 3.29E-08 -2.49E-08 1.63E-07 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 115 13.15 315.81 70.8 1.56E-03 20 3.91E-08 -3.88E-08 2.56E-07 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 120 13.2 213.75 49.74 1.36E-03 20 -7.73E-08 -5.28E-08 1.79E-07 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 125 13.25 223.8 58.49 1.12E-03 20 -4.47E-08 -4.39E-08 1.65E-07 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 130 13.3 187.52 62.47 1.58E-03 20 -7.70E-08 -1.04E-08 2.44E-07 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 135 13.35 185.11 62 1.71E-03 20 -8.46E-08 -7.73E-09 2.61E-07 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 140 13.4 233 60.35 1.61E-03 20 -5.09E-08 -6.91E-08 2.43E-07 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 145 13.45 213.58 54.07 1.74E-03 20 -9.02E-08 -6.13E-08 2.44E-07 03/01/97 Yes Yes 3683 172 1058 C 3 H 1 150 13.5 175.74 52.38 1.01E-03 20 -6.52E-08 4.97E-09 1.39E-07 03/01/97 Yes Yes 3683 172 1058 C 3 H 2 0 13.5 241.75 72.09 6.81E-04 20 -1.05E-08 -2.00E-08 1.12E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 5 13.55 233.67 75.13 9.49E-04 20 -1.53E-08 -2.13E-08 1.59E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 10 13.6 251.02 65.68 1.60E-03 20 -2.27E-08 -6.75E-08 2.53E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 15 13.65 226.82 57.09 2.77E-03 20 -1.09E-07 -1.19E-07 4.03E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 20 13.7 217.26 53.54 3.48E-03 20 -1.75E-07 -1.36E-07 4.85E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 25 13.75 207.53 57.38 3.74E-03 20 -1.90E-07 -1.01E-07 5.47E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 30 13.8 200.23 48.71 5.19E-03 20 -3.41E-07 -1.28E-07 6.75E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 35 13.85 209.76 50.02 5.80E-03 20 -3.43E-07 -2.01E-07 7.71E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 40 13.9 194.16 56.46 6.17E-03 20 -3.51E-07 -9.05E-08 8.92E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 45 13.95 187.94 51.03 7.05E-03 20 -4.66E-07 -6.65E-08 9.50E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 50 14 190.27 50.56 7.26E-03 20 -4.81E-07 -8.92E-08 9.72E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 55 14.05 192.77 47.44 7.33E-03 20 -5.13E-07 -1.19E-07 9.36E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 60 14.1 194.4 45.36 7.21E-03 20 -5.20E-07 -1.37E-07 8.89E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 65 14.15 205.27 47.58 6.44E-03 20 -4.17E-07 -2.01E-07 8.25E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 70 14.2 215.79 44.82 6.51E-03 20 -3.97E-07 -2.93E-07 7.96E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 75 14.25 221.49 40.81 6.16E-03 20 -3.70E-07 -3.35E-07 6.98E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 80 14.3 223.18 40.49 5.62E-03 20 -3.30E-07 -3.17E-07 6.32E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 85 14.35 224.61 41.84 5.39E-03 20 -3.03E-07 -3.06E-07 6.23E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 90 14.4 224.51 44.31 5.63E-03 20 -3.05E-07 -3.07E-07 6.82E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 95 14.45 224.39 41.5 5.81E-03 20 -3.30E-07 -3.30E-07 6.67E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 100 14.5 219.85 45.11 5.00E-03 20 -2.88E-07 -2.45E-07 6.15E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 105 14.55 222.29 47.2 4.24E-03 20 -2.26E-07 -2.10E-07 5.39E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 110 14.6 232.93 47.58 3.61E-03 20 -1.56E-07 -2.11E-07 4.62E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 115 14.65 222.3 56.37 3.08E-03 20 -1.34E-07 -1.25E-07 4.45E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 120 14.7 203.79 66.48 3.00E-03 20 -1.16E-07 -5.25E-08 4.77E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 125 14.75 221.53 63.35 3.12E-03 20 -1.11E-07 -1.01E-07 4.84E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 130 14.8 221.24 51.86 3.09E-03 20 -1.52E-07 -1.37E-07 4.22E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 135 14.85 208.89 50.13 3.81E-03 20 -2.27E-07 -1.28E-07 5.08E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 140 14.9 205.92 45.21 5.36E-03 20 -3.60E-07 -1.79E-07 6.60E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 145 14.95 205.92 40.32 6.39E-03 20 -4.65E-07 -2.31E-07 7.17E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 2 150 15 197.36 47.99 2.92E-03 20 -1.98E-07 -6.33E-08 3.76E-07 03/01/97 Yes Yes 3685 172 1058 C 3 H 3 0 15 222.72 67.95 4.25E-03 20 -1.24E-07 -1.17E-07 6.83E-07 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 5 15.05 221.88 37.36 1.01E-02 20 -6.31E-07 -5.78E-07 1.06E-06 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 10 15.1 226.94 29.7 1.17E-02 20 -7.34E-07 -8.03E-07 1.00E-06 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 15 15.15 223.02 28.04 1.24E-02 20 -8.51E-07 -8.12E-07 1.01E-06 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 20 15.2 220.05 31.4 1.03E-02 20 -7.14E-07 -6.14E-07 9.30E-07 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 25 15.25 216.38 28.66 7.19E-03 20 -5.39E-07 -4.06E-07 5.98E-07 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 30 15.3 222.7 17.43 6.57E-03 20 -4.89E-07 -4.61E-07 3.41E-07 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 35 15.35 225.35 17.08 7.37E-03 20 -5.25E-07 -5.43E-07 3.75E-07 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 40 15.4 224.32 17.8 8.86E-03 20 -6.40E-07 -6.39E-07 4.69E-07 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 45 15.45 220.79 30.16 7.00E-03 20 -4.86E-07 -4.29E-07 6.10E-07 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 50 15.5 203.8 41.85 6.88E-03 20 -4.97E-07 -2.24E-07 7.95E-07 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 55 15.55 208.01 34.28 8.07E-03 20 -6.25E-07 -3.40E-07 7.88E-07 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 60 15.6 205.36 32.62 9.28E-03 20 -7.49E-07 -3.63E-07 8.68E-07 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 65 15.65 195.13 33.44 9.91E-03 20 -8.47E-07 -2.34E-07 9.47E-07 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 70 15.7 195.01 34.43 1.01E-02 20 -8.52E-07 -2.34E-07 9.89E-07 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 75 15.75 203.86 38.11 9.52E-03 20 -7.26E-07 -3.28E-07 1.02E-06 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 80 15.8 211.03 44.5 9.52E-03 20 -6.17E-07 -3.80E-07 1.16E-06 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 85 15.85 205.16 45.85 1.09E-02 20 -7.31E-07 -3.51E-07 1.36E-06 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 90 15.9 194.51 50.65 1.08E-02 20 -7.05E-07 -1.87E-07 1.45E-06 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 95 15.95 181.56 52.97 1.07E-02 20 -6.86E-07 -1.91E-08 1.49E-06 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 100 16 177.15 46.24 1.22E-02 20 -8.96E-07 4.57E-08 1.53E-06 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 105 16.05 184.7 42.03 1.17E-02 20 -9.19E-07 -7.73E-08 1.36E-06 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 110 16.1 189.21 45.65 9.62E-03 20 -7.04E-07 -1.17E-07 1.19E-06 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 115 16.15 192.38 42.26 9.96E-03 20 -7.64E-07 -1.72E-07 1.16E-06 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 120 16.2 190.36 39.31 9.22E-03 20 -7.44E-07 -1.39E-07 1.01E-06 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 125 16.25 188.69 32.16 9.15E-03 20 -8.12E-07 -1.27E-07 8.44E-07 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 130 16.3 188.63 30.17 7.58E-03 20 -6.87E-07 -1.07E-07 6.60E-07 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 135 16.35 188.22 41.73 4.54E-03 20 -3.56E-07 -5.26E-08 5.24E-07 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 140 16.4 194.4 47.46 3.26E-03 20 -2.26E-07 -5.94E-08 4.16E-07 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 145 16.45 196.66 43.46 3.08E-03 20 -2.27E-07 -6.94E-08 3.67E-07 03/01/97 Yes Yes 3687 172 1058 C 3 H 3 150 16.5 200.37 37.71 2.21E-03 20 -1.74E-07 -6.60E-08 2.34E-07 03/01/97 Yes Yes 3687 172 1058 C 3 H 4 0 16.5 212.03 43.29 1.17E-03 20 -7.63E-08 -4.88E-08 1.39E-07 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 5 16.55 204.16 38.09 1.98E-03 20 -1.51E-07 -6.93E-08 2.12E-07 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 10 16.6 205.11 45.68 1.67E-03 20 -1.12E-07 -5.36E-08 2.07E-07 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 15 16.65 196.32 51.76 1.51E-03 20 -9.50E-08 -2.85E-08 2.05E-07 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 20 16.7 209.02 58.31 1.44E-03 20 -7.02E-08 -3.98E-08 2.12E-07 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 25 16.75 179.57 66.86 1.44E-03 20 -6.02E-08 4.60E-10 2.30E-07 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 30 16.8 259.77 75.75 1.45E-03 20 -6.70E-09 -3.80E-08 2.43E-07 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 35 16.85 215.38 60.5 2.47E-03 20 -1.05E-07 -7.64E-08 3.73E-07 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 40 16.9 195.57 40.29 1.70E-03 20 -1.33E-07 -3.78E-08 1.91E-07 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 45 16.95 284.78 65.78 1.03E-03 20 1.14E-08 -4.42E-08 1.62E-07 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 50 17 274.12 55.25 1.08E-03 20 4.72E-09 -6.69E-08 1.55E-07 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 55 17.05 273.15 56.01 1.16E-03 20 3.78E-09 -7.01E-08 1.66E-07 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 60 17.1 264.04 60.41 1.02E-03 20 -5.53E-09 -5.42E-08 1.53E-07 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 65 17.15 255.63 45.2 1.21E-03 20 -2.25E-08 -8.99E-08 1.49E-07 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 70 17.2 240.06 45.73 1.02E-03 20 -3.79E-08 -6.72E-08 1.27E-07 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 75 17.25 226.81 41.5 7.54E-04 20 -4.10E-08 -4.47E-08 8.66E-08 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 80 17.3 236.44 32.87 6.04E-04 20 -2.97E-08 -4.58E-08 5.68E-08 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 85 17.35 238.59 39.48 4.76E-04 20 -2.03E-08 -3.40E-08 5.25E-08 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 90 17.4 243.09 51.21 4.57E-04 20 -1.37E-08 -2.77E-08 6.18E-08 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 95 17.45 217.3 58.88 5.09E-04 20 -2.22E-08 -1.73E-08 7.55E-08 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 100 17.5 187.13 60.38 5.84E-04 20 -3.04E-08 -3.89E-09 8.80E-08 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 105 17.55 157.72 71.7 7.21E-04 20 -2.22E-08 9.31E-09 1.19E-07 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 110 17.6 104.5 76.14 1.02E-03 20 -6.48E-09 2.56E-08 1.71E-07 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 115 17.65 138.01 56.7 1.13E-03 20 -4.89E-08 4.50E-08 1.64E-07 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 120 17.7 201.11 65.21 1.01E-03 20 -4.18E-08 -1.65E-08 1.58E-07 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 125 17.75 179.88 69.35 8.58E-04 20 -3.21E-08 6.83E-11 1.39E-07 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 130 17.8 131.11 56.98 5.62E-04 20 -2.13E-08 2.50E-08 8.16E-08 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 135 17.85 102.6 68.04 3.54E-04 20 -3.06E-09 1.40E-08 5.68E-08 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 140 17.9 321.02 83.84 4.45E-04 20 3.94E-09 -3.26E-09 7.66E-08 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 145 17.95 297.44 85.36 5.50E-04 20 2.18E-09 -4.28E-09 9.51E-08 03/01/97 Yes Yes 3689 172 1058 C 3 H 4 150 18 193.94 63.26 4.17E-04 20 -1.93E-08 -4.90E-09 6.45E-08 03/01/97 Yes Yes 3689 172 1058 C 3 H 5 0 18 335.46 69.51 4.47E-04 20 1.51E-08 -7.05E-09 7.26E-08 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 5 18.05 294.87 81.08 6.00E-04 20 4.15E-09 -9.15E-09 1.03E-07 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 10 18.1 276.92 67.23 6.21E-04 20 3.07E-09 -2.59E-08 9.93E-08 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 15 18.15 275.67 69.36 5.66E-04 20 2.09E-09 -2.15E-08 9.18E-08 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 20 18.2 244.38 69.02 4.79E-04 20 -7.87E-09 -1.68E-08 7.75E-08 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 25 18.25 239.5 56.17 3.71E-04 20 -1.11E-08 -1.93E-08 5.34E-08 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 30 18.3 246.42 35.26 3.99E-04 20 -1.38E-08 -3.24E-08 3.99E-08 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 35 18.35 247.23 26.24 4.37E-04 20 -1.61E-08 -3.92E-08 3.35E-08 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 40 18.4 242.94 35.05 2.90E-04 20 -1.15E-08 -2.29E-08 2.89E-08 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 45 18.45 215.18 43.51 2.01E-04 20 -1.26E-08 -9.10E-09 2.40E-08 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 50 18.5 227.34 29.59 2.09E-04 20 -1.30E-08 -1.45E-08 1.79E-08 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 55 18.55 236.59 31.13 2.08E-04 20 -1.04E-08 -1.61E-08 1.86E-08 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 60 18.6 217.89 22.24 2.35E-04 20 -1.82E-08 -1.45E-08 1.54E-08 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 65 18.65 211.11 14.31 1.78E-04 20 -1.57E-08 -9.67E-09 7.63E-09 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 70 18.7 199.14 16.29 1.18E-04 20 -1.14E-08 -4.03E-09 5.74E-09 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 75 18.75 229.21 11.39 1.21E-04 20 -8.25E-09 -9.78E-09 4.16E-09 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 80 18.8 254.57 13.83 6.17E-05 20 -1.69E-09 -6.27E-09 2.56E-09 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 85 18.85 240.39 15.08 9.64E-05 20 -4.88E-09 -8.78E-09 4.35E-09 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 90 18.9 217.87 22.73 1.15E-04 20 -8.91E-09 -7.09E-09 7.73E-09 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 95 18.95 192.46 19.26 1.49E-04 20 -1.46E-08 -3.30E-09 8.55E-09 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 100 19 209.1 23.26 9.68E-05 20 -8.24E-09 -4.69E-09 6.63E-09 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 105 19.05 221.11 36.19 6.59E-05 20 -4.25E-09 -3.79E-09 6.75E-09 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 110 19.1 230.95 45.25 6.01E-05 20 -2.83E-09 -3.56E-09 7.39E-09 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 115 19.15 233.69 33.84 8.91E-05 20 -4.65E-09 -6.47E-09 8.61E-09 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 120 19.2 223.34 46.77 8.42E-05 20 -4.45E-09 -4.29E-09 1.06E-08 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 125 19.25 218.57 53.28 1.02E-04 20 -5.08E-09 -4.14E-09 1.42E-08 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 130 19.3 200.25 54.98 1.38E-04 20 -7.88E-09 -2.97E-09 1.96E-08 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 135 19.35 175.9 49.92 1.22E-04 20 -8.34E-09 6.12E-10 1.62E-08 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 140 19.4 229.08 43.56 1.21E-04 20 -6.09E-09 -7.18E-09 1.44E-08 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 145 19.45 226.81 35.18 1.11E-04 20 -6.61E-09 -7.20E-09 1.11E-08 03/01/97 Yes Yes 3691 172 1058 C 3 H 5 150 19.5 159.52 42.81 6.66E-05 20 -4.86E-09 1.85E-09 7.85E-09 03/01/97 Yes Yes 3691 172 1058 C 3 H 6 0 19.5 179.44 75.15 6.50E-05 20 -1.77E-09 1.78E-11 1.09E-08 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 5 19.55 231.04 46.14 1.31E-04 20 -6.05E-09 -7.65E-09 1.64E-08 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 10 19.6 234.42 61.14 1.38E-04 20 -4.12E-09 -5.89E-09 2.10E-08 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 15 19.65 259.92 66 1.68E-04 20 -1.27E-09 -7.30E-09 2.66E-08 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 20 19.7 246.7 81.77 1.63E-04 20 -9.80E-10 -2.33E-09 2.80E-08 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 25 19.75 162.66 68.69 1.95E-04 20 -7.17E-09 2.29E-09 3.15E-08 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 30 19.8 180.78 75.61 1.63E-04 20 -4.29E-09 -6.00E-11 2.73E-08 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 35 19.85 208.81 66.5 1.58E-04 20 -5.86E-09 -3.30E-09 2.52E-08 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 40 19.9 188.39 61.48 1.22E-04 20 -6.12E-09 -9.23E-10 1.86E-08 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 45 19.95 20.18 74.58 1.09E-04 20 2.88E-09 1.08E-09 1.82E-08 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 50 20 161.26 80.96 1.26E-04 20 -1.99E-09 6.91E-10 2.16E-08 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 55 20.05 168.74 65.87 1.15E-04 20 -4.88E-09 9.93E-10 1.81E-08 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 60 20.1 161.06 63.52 1.01E-04 20 -4.52E-09 1.59E-09 1.57E-08 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 65 20.15 190.95 61.91 9.55E-05 20 -4.68E-09 -9.27E-10 1.46E-08 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 70 20.2 195.12 62.47 8.55E-05 20 -4.05E-09 -1.12E-09 1.31E-08 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 75 20.25 190.55 57.23 7.17E-05 20 -4.05E-09 -7.72E-10 1.05E-08 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 80 20.3 190.72 62.94 5.58E-05 20 -2.65E-09 -5.12E-10 8.61E-09 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 85 20.35 180.98 47.82 6.22E-05 20 -4.43E-09 -7.76E-11 7.99E-09 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 90 20.4 187.46 55.07 4.90E-05 20 -2.95E-09 -3.95E-10 6.97E-09 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 95 20.45 194.31 67.32 5.08E-05 20 -2.01E-09 -5.25E-10 8.12E-09 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 100 20.5 229.97 61.39 6.41E-05 20 -2.09E-09 -2.55E-09 9.76E-09 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 105 20.55 244.04 40.61 9.46E-05 20 -3.34E-09 -7.01E-09 1.07E-08 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 110 20.6 209.76 54.65 8.64E-05 20 -4.60E-09 -2.69E-09 1.22E-08 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 115 20.65 181.01 61.1 7.21E-05 20 -3.70E-09 -6.69E-11 1.09E-08 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 120 20.7 229.82 65.65 7.79E-05 20 -2.20E-09 -2.66E-09 1.23E-08 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 125 20.75 234.77 64.11 8.08E-05 20 -2.16E-09 -3.13E-09 1.26E-08 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 130 20.8 249.29 74.76 9.24E-05 20 -9.11E-10 -2.46E-09 1.55E-08 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 135 20.85 199.39 76.82 9.90E-05 20 -2.26E-09 -8.12E-10 1.67E-08 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 140 20.9 192.28 63.77 9.52E-05 20 -4.36E-09 -9.70E-10 1.48E-08 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 145 20.95 250.69 59.52 1.00E-04 20 -1.78E-09 -5.19E-09 1.49E-08 03/01/97 Yes Yes 3693 172 1058 C 3 H 6 150 21 181.1 58.86 6.86E-05 20 -3.76E-09 -7.35E-11 1.02E-08 03/01/97 Yes Yes 3693 172 1058 C 3 H 7 0 21 319.83 60.41 7.87E-05 20 3.15E-09 -2.72E-09 1.19E-08 03/01/97 Yes Yes 3695 172 1058 C 3 H 7 5 21.05 312.81 72.21 1.14E-04 20 2.52E-09 -2.78E-09 1.89E-08 03/01/97 Yes Yes 3695 172 1058 C 3 H 7 10 21.1 181.18 88.24 1.24E-04 20 -4.02E-10 -8.46E-12 2.15E-08 03/01/97 Yes Yes 3695 172 1058 C 3 H 7 15 21.15 179.81 85.98 1.21E-04 20 -9.01E-10 3.09E-12 2.09E-08 03/01/97 Yes Yes 3695 172 1058 C 3 H 7 20 21.2 312.45 86.59 1.25E-04 20 5.32E-10 -5.94E-10 2.16E-08 03/01/97 Yes Yes 3695 172 1058 C 3 H 7 25 21.25 197.55 73.61 1.37E-04 20 -3.91E-09 -1.26E-09 2.28E-08 03/01/97 Yes Yes 3695 172 1058 C 3 H 7 30 21.3 204.31 78.77 1.14E-04 20 -2.14E-09 -9.89E-10 1.93E-08 03/01/97 Yes Yes 3695 172 1058 C 3 H 7 35 21.35 66.07 77.07 1.25E-04 20 1.20E-09 2.77E-09 2.11E-08 03/01/97 Yes Yes 3695 172 1058 C 3 H 7 40 21.4 71.01 74.75 1.54E-04 20 1.40E-09 4.16E-09 2.58E-08 03/01/97 Yes Yes 3695 172 1058 C 3 H 7 45 21.45 232.03 82.15 1.80E-04 20 -1.61E-09 -2.11E-09 3.09E-08 03/01/97 Yes Yes 3695 172 1058 C 3 H 7 50 21.5 20.02 68.87 2.06E-04 20 7.42E-09 2.76E-09 3.34E-08 03/01/97 Yes Yes 3695 172 1058 C 3 H 7 55 21.55 335.76 81.79 3.93E-04 20 5.42E-09 -2.50E-09 6.74E-08 03/01/97 Yes Yes 3695 172 1058 C 3 H 7 60 21.6 173.63 18.34 6.94E-04 20 -6.94E-08 7.92E-09 3.78E-08 03/01/97 Yes Yes 3695 172 1058 C 3 H 7 65 21.65 201.82 -18.95 2.11E-04 20 -1.96E-08 -8.03E-09 -1.19E-08 03/01/97 Yes Yes 3695 172 1058 C 3 H 7 70 21.7 334.96 43.11 1.83E-04 20 1.28E-08 -6.12E-09 2.16E-08 03/01/97 Yes Yes 3695 172 1058 C 3 H 7 75 21.75 272.55 39.43 8.53E-04 20 3.11E-09 -7.14E-08 9.39E-08 03/01/97 Yes Yes 3695 172 1058 C 4 H 1 0 21.5 266.7 42.09 1.37E-03 20 -6.21E-09 -1.10E-07 1.59E-07 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 5 21.55 253.43 55.85 1.80E-03 20 -3.05E-08 -1.05E-07 2.58E-07 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 10 21.6 191.14 69.01 1.58E-03 20 -5.89E-08 -1.19E-08 2.56E-07 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 15 21.65 157.59 63.52 1.10E-03 20 -4.81E-08 2.03E-08 1.71E-07 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 20 21.7 243.09 78.74 3.56E-04 20 -3.34E-09 -6.73E-09 6.06E-08 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 25 21.75 358.15 46.78 1.34E-04 20 9.75E-09 -3.21E-10 1.70E-08 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 30 21.8 26.23 46.01 8.81E-05 20 5.82E-09 2.93E-09 1.10E-08 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 35 21.85 63.8 61.27 6.46E-05 20 1.46E-09 3.02E-09 9.83E-09 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 40 21.9 328.9 73.91 3.42E-05 20 8.61E-10 -5.31E-10 5.70E-09 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 45 21.95 316.1 -16.08 2.09E-04 20 1.53E-08 -1.51E-08 -1.00E-08 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 50 22 38.35 -4.37 3.69E-04 20 3.06E-08 2.47E-08 -4.88E-09 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 55 22.05 33.73 63.67 2.31E-04 20 9.03E-09 6.16E-09 3.58E-08 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 60 22.1 82.99 68.56 2.77E-04 20 1.31E-09 1.09E-08 4.48E-08 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 65 22.15 6.46 68.05 1.97E-04 20 7.77E-09 9.00E-10 3.17E-08 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 70 22.2 311.15 74.6 1.78E-04 20 3.30E-09 -3.86E-09 2.98E-08 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 75 22.25 288.4 70.13 2.13E-04 20 2.42E-09 -7.45E-09 3.48E-08 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 80 22.3 116.4 50.05 1.62E-04 20 -4.91E-09 1.01E-08 2.15E-08 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 85 22.35 325.14 49.82 7.56E-05 20 4.24E-09 -3.02E-09 1.00E-08 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 90 22.4 32.62 57.88 4.56E-05 20 2.16E-09 1.42E-09 6.69E-09 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 95 22.45 354.73 50.31 6.23E-05 20 4.20E-09 -3.97E-10 8.31E-09 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 100 22.5 5.07 40.05 9.41E-05 20 7.61E-09 6.90E-10 1.05E-08 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 105 22.55 0.15 64.06 7.64E-05 20 3.54E-09 9.60E-12 1.19E-08 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 110 22.6 171.48 79.53 6.85E-05 20 -1.31E-09 2.00E-10 1.17E-08 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 115 22.65 69.25 72.58 6.42E-05 20 7.22E-10 1.95E-09 1.06E-08 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 120 22.7 35.42 60.31 1.26E-04 20 5.41E-09 3.93E-09 1.90E-08 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 125 22.75 165.25 85.22 1.29E-04 20 -1.10E-09 2.96E-10 2.22E-08 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 130 22.8 239.37 49.19 1.46E-04 20 -5.17E-09 -8.93E-09 1.92E-08 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 135 22.85 305.74 67.61 1.07E-04 20 2.53E-09 -3.60E-09 1.72E-08 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 140 22.9 46.6 60.19 3.20E-04 20 1.16E-08 1.25E-08 4.81E-08 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 145 22.95 70.56 42.81 6.44E-04 20 1.67E-08 4.83E-08 7.58E-08 03/01/97 Yes Yes 3697 172 1058 C 4 H 1 150 23 67.81 56.6 1.61E-04 20 3.56E-09 8.92E-09 2.34E-08 03/01/97 Yes Yes 3697 172 1058 C 4 H 2 0 23 41.15 51.66 2.47E-04 20 1.22E-08 1.09E-08 3.36E-08 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 5 23.05 65.96 34.52 2.42E-04 20 8.63E-09 1.98E-08 2.38E-08 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 10 23.1 24.59 52.69 1.18E-04 20 6.91E-09 3.23E-09 1.63E-08 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 15 23.15 26.46 55.47 9.38E-05 20 5.05E-09 2.57E-09 1.34E-08 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 20 23.2 37.25 46.53 1.17E-04 20 6.82E-09 5.31E-09 1.48E-08 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 25 23.25 4.32 51.77 1.40E-04 20 9.17E-09 7.08E-10 1.91E-08 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 30 23.3 1.55 76.95 1.20E-04 20 2.87E-09 7.92E-11 2.02E-08 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 35 23.35 359.35 84.12 1.17E-04 20 1.27E-09 -1.48E-11 2.02E-08 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 40 23.4 29.82 57.99 1.89E-04 20 9.21E-09 5.40E-09 2.78E-08 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 45 23.45 44.71 31.04 5.81E-04 20 3.75E-08 3.80E-08 5.19E-08 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 50 23.5 55.91 34.99 7.82E-04 20 3.81E-08 5.75E-08 7.77E-08 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 55 23.55 53.64 39.53 8.03E-04 20 3.90E-08 5.41E-08 8.86E-08 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 60 23.6 58.64 42.33 9.32E-04 20 3.80E-08 6.38E-08 1.09E-07 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 65 23.65 59.86 41.9 1.07E-03 20 4.23E-08 7.45E-08 1.24E-07 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 70 23.7 49.74 45.07 1.23E-03 20 5.94E-08 7.17E-08 1.51E-07 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 75 23.75 67.38 52.07 1.11E-03 20 2.78E-08 6.83E-08 1.52E-07 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 80 23.8 70.1 40.4 1.32E-03 20 3.64E-08 1.03E-07 1.49E-07 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 85 23.85 63.93 45.88 1.42E-03 20 4.59E-08 9.60E-08 1.76E-07 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 90 23.9 55.39 42.73 2.03E-03 20 8.98E-08 1.33E-07 2.39E-07 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 95 23.95 48.94 38.73 2.78E-03 20 1.51E-07 1.77E-07 3.02E-07 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 100 24 50.11 40.6 2.93E-03 20 1.52E-07 1.85E-07 3.31E-07 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 105 24.05 54.25 45.21 2.80E-03 20 1.22E-07 1.73E-07 3.44E-07 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 110 24.1 54.51 53.04 2.53E-03 20 9.36E-08 1.34E-07 3.50E-07 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 115 24.15 46.33 49.03 3.36E-03 20 1.61E-07 1.73E-07 4.39E-07 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 120 24.2 42.01 48.92 4.23E-03 20 2.19E-07 2.02E-07 5.52E-07 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 125 24.25 44.04 42.04 5.51E-03 20 3.12E-07 3.09E-07 6.40E-07 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 130 24.3 50.84 36.27 7.92E-03 20 4.28E-07 5.37E-07 8.12E-07 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 135 24.35 56.11 42.58 9.04E-03 20 3.94E-07 5.99E-07 1.06E-06 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 140 24.4 64.53 41.55 1.15E-02 20 3.91E-07 8.40E-07 1.32E-06 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 145 24.45 61.75 40.01 1.07E-02 20 4.10E-07 7.81E-07 1.19E-06 03/01/97 Yes Yes 3699 172 1058 C 4 H 2 150 24.5 53.07 48.77 4.70E-03 20 1.97E-07 2.68E-07 6.12E-07 03/01/97 Yes Yes 3699 172 1058 C 4 H 3 0 24.5 19.1 40.35 6.56E-03 20 5.01E-07 1.77E-07 7.36E-07 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 5 24.55 32.23 41.05 8.27E-03 20 5.59E-07 3.61E-07 9.41E-07 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 10 24.6 38.81 39.26 8.46E-03 20 5.41E-07 4.45E-07 9.28E-07 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 15 24.65 41.89 39.18 9.32E-03 20 5.71E-07 5.23E-07 1.02E-06 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 20 24.7 42.19 37.94 1.02E-02 20 6.32E-07 5.86E-07 1.09E-06 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 25 24.75 42.54 34.67 1.06E-02 20 6.82E-07 6.40E-07 1.05E-06 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 30 24.8 42.18 31.02 8.73E-03 20 5.88E-07 5.45E-07 7.80E-07 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 35 24.85 41.14 35.21 6.39E-03 20 4.17E-07 3.72E-07 6.38E-07 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 40 24.9 19.37 39.14 5.45E-03 20 4.23E-07 1.52E-07 5.96E-07 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 45 24.95 19.91 29.31 8.10E-03 20 7.04E-07 2.61E-07 6.87E-07 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 50 25 28.45 23.29 1.02E-02 20 8.74E-07 4.84E-07 6.99E-07 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 55 25.05 31.73 22.52 8.80E-03 20 7.33E-07 4.64E-07 5.84E-07 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 60 25.1 32.68 35.51 5.01E-03 20 3.64E-07 2.39E-07 5.05E-07 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 65 25.15 32.94 41.73 6.72E-03 20 4.46E-07 2.96E-07 7.75E-07 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 70 25.2 39.77 48.22 8.67E-03 20 4.71E-07 4.01E-07 1.12E-06 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 75 25.25 50.64 48.79 9.56E-03 20 4.24E-07 5.28E-07 1.25E-06 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 80 25.3 48.23 36.69 1.23E-02 20 6.96E-07 7.97E-07 1.27E-06 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 85 25.35 48 29.21 1.35E-02 20 8.35E-07 9.49E-07 1.14E-06 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 90 25.4 37.72 28.83 1.03E-02 20 7.58E-07 5.99E-07 8.62E-07 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 95 25.45 29.39 29.49 1.03E-02 20 8.25E-07 4.75E-07 8.75E-07 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 100 25.5 37.22 26.45 1.12E-02 20 8.47E-07 6.58E-07 8.64E-07 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 105 25.55 39 31.31 7.55E-03 20 5.32E-07 4.40E-07 6.80E-07 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 110 25.6 40.57 50.88 4.02E-03 20 2.05E-07 1.79E-07 5.41E-07 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 115 25.65 41.57 56.2 3.54E-03 20 1.56E-07 1.42E-07 5.11E-07 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 120 25.7 33.38 40.36 4.81E-03 20 3.24E-07 2.19E-07 5.40E-07 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 125 25.75 30.81 31.94 6.42E-03 20 4.96E-07 3.02E-07 5.88E-07 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 130 25.8 26.77 38.44 6.41E-03 20 4.75E-07 2.45E-07 6.91E-07 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 135 25.85 23.27 49.02 4.31E-03 20 2.75E-07 1.21E-07 5.64E-07 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 140 25.9 31.34 47.14 3.64E-03 20 2.25E-07 1.40E-07 4.63E-07 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 145 25.95 47.71 39.99 3.70E-03 20 2.02E-07 2.27E-07 4.12E-07 03/01/97 Yes Yes 3701 172 1058 C 4 H 3 150 26 68.37 42.79 2.06E-03 20 5.92E-08 1.53E-07 2.43E-07 03/01/97 Yes Yes 3701 172 1058 C 4 H 4 0 26 37.74 41.75 2.31E-03 20 1.44E-07 1.14E-07 2.66E-07 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 5 26.05 34.88 36.02 4.83E-03 20 3.40E-07 2.42E-07 4.93E-07 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 10 26.1 41.09 35.27 6.35E-03 20 4.15E-07 3.70E-07 6.36E-07 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 15 26.15 41.12 45.49 5.00E-03 20 2.80E-07 2.50E-07 6.18E-07 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 20 26.2 32.95 51.66 4.09E-03 20 2.26E-07 1.50E-07 5.56E-07 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 25 26.25 29.14 42.77 3.35E-03 20 2.28E-07 1.30E-07 3.94E-07 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 30 26.3 39.31 25.86 4.15E-03 20 3.07E-07 2.57E-07 3.14E-07 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 35 26.35 42.15 22.64 4.41E-03 20 3.20E-07 2.97E-07 2.95E-07 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 40 26.4 41.7 38.03 1.82E-03 20 1.13E-07 1.03E-07 1.94E-07 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 45 26.45 43.09 60.98 8.83E-04 20 3.32E-08 3.18E-08 1.34E-07 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 50 26.5 49.43 37.44 1.25E-03 20 6.86E-08 8.19E-08 1.32E-07 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 55 26.55 55.49 24.8 2.44E-03 20 1.33E-07 1.98E-07 1.78E-07 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 60 26.6 52.99 25.72 2.60E-03 20 1.50E-07 2.03E-07 1.96E-07 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 65 26.65 42.4 33.3 2.28E-03 20 1.49E-07 1.39E-07 2.17E-07 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 70 26.7 45.7 45.08 1.86E-03 20 9.74E-08 1.02E-07 2.29E-07 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 75 26.75 61.74 38.58 2.04E-03 20 8.01E-08 1.52E-07 2.21E-07 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 80 26.8 65.76 31.53 2.01E-03 20 7.47E-08 1.70E-07 1.82E-07 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 85 26.85 53.62 30.03 2.13E-03 20 1.16E-07 1.61E-07 1.85E-07 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 90 26.9 46.91 32.32 1.65E-03 20 1.01E-07 1.10E-07 1.52E-07 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 95 26.95 25.01 65.66 8.42E-04 20 3.34E-08 1.59E-08 1.33E-07 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 100 27 7.44 66.94 1.13E-03 20 4.67E-08 6.24E-09 1.81E-07 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 105 27.05 40.35 52.85 2.44E-03 20 1.19E-07 1.04E-07 3.37E-07 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 110 27.1 51.22 42.16 3.86E-03 20 1.90E-07 2.42E-07 4.49E-07 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 115 27.15 64.19 39.99 4.63E-03 20 1.64E-07 3.46E-07 5.16E-07 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 120 27.2 49.45 54.04 4.33E-03 20 1.75E-07 2.09E-07 6.07E-07 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 125 27.25 39.61 53.63 5.98E-03 20 2.90E-07 2.45E-07 8.35E-07 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 130 27.3 41.07 40.19 9.56E-03 20 5.84E-07 5.20E-07 1.07E-06 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 135 27.35 45.16 41.21 1.09E-02 20 6.12E-07 6.30E-07 1.24E-06 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 140 27.4 41.12 39.91 1.15E-02 20 7.07E-07 6.31E-07 1.28E-06 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 145 27.45 40.21 35.48 1.28E-02 20 8.45E-07 7.30E-07 1.29E-06 03/01/97 Yes Yes 3703 172 1058 C 4 H 4 150 27.5 41.87 42.48 6.81E-03 20 3.96E-07 3.63E-07 7.97E-07 03/01/97 Yes Yes 3703 172 1058 C 4 H 5 0 27.5 29.42 27.62 3.73E-03 20 3.05E-07 1.76E-07 3.00E-07 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 5 27.55 39.42 33.11 4.37E-03 20 3.00E-07 2.52E-07 4.14E-07 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 10 27.6 45.11 45.86 2.67E-03 20 1.39E-07 1.43E-07 3.33E-07 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 15 27.65 43.18 44.22 1.93E-03 20 1.07E-07 1.03E-07 2.33E-07 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 20 27.7 37.42 54.02 1.16E-03 20 5.73E-08 4.49E-08 1.63E-07 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 25 27.75 40.94 59.18 8.07E-04 20 3.31E-08 2.94E-08 1.20E-07 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 30 27.8 53.71 43.69 8.38E-04 20 3.80E-08 5.30E-08 1.00E-07 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 35 27.85 64.3 45.56 7.29E-04 20 2.35E-08 4.99E-08 9.02E-08 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 40 27.9 57.95 47.03 7.88E-04 20 3.02E-08 4.94E-08 1.00E-07 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 45 27.95 51.92 48.73 8.81E-04 20 3.80E-08 4.96E-08 1.15E-07 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 50 28 63.22 44.01 1.05E-03 20 3.60E-08 7.30E-08 1.26E-07 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 55 28.05 61.56 44.69 1.11E-03 20 3.97E-08 7.49E-08 1.35E-07 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 60 28.1 58.35 58.58 8.20E-04 20 2.38E-08 3.95E-08 1.21E-07 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 65 28.15 38.44 75.14 5.71E-04 20 1.22E-08 9.87E-09 9.57E-08 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 70 28.2 41.68 79.59 5.19E-04 20 7.42E-09 6.76E-09 8.84E-08 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 75 28.25 54.31 63.13 5.01E-04 20 1.40E-08 1.99E-08 7.75E-08 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 80 28.3 44.23 65.16 4.18E-04 20 1.33E-08 1.33E-08 6.57E-08 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 85 28.35 34.02 69.31 3.78E-04 20 1.17E-08 8.10E-09 6.13E-08 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 90 28.4 335.61 78.61 3.22E-04 20 6.15E-09 -2.85E-09 5.48E-08 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 95 28.45 0.49 75.42 2.54E-04 20 6.79E-09 5.95E-11 4.27E-08 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 100 28.5 8.91 67.89 2.02E-04 20 7.97E-09 1.28E-09 3.25E-08 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 105 28.55 355.33 61.04 1.82E-04 20 9.32E-09 -7.79E-10 2.76E-08 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 110 28.6 341.37 73.09 1.59E-04 20 4.64E-09 -1.60E-09 2.63E-08 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 115 28.65 316.36 18.55 2.99E-04 20 2.18E-08 -2.12E-08 1.65E-08 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 120 28.7 307.35 7.33 1.13E-03 20 7.24E-08 -9.70E-08 2.51E-08 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 125 28.75 312.71 0.77 2.51E-03 20 1.81E-07 -2.00E-07 5.85E-09 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 130 28.8 87.1 -11.67 7.89E-03 20 4.15E-08 8.36E-07 -2.77E-07 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 135 28.85 137.71 -34.85 2.26E-02 20 -1.45E-06 1.35E-06 -2.24E-06 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 140 28.9 250.89 -17.32 1.58E-02 20 -5.23E-07 -1.54E-06 -8.13E-07 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 145 28.95 336.31 -10.22 2.07E-03 20 1.98E-07 -8.87E-08 -6.37E-08 03/01/97 Yes Yes 3705 172 1058 C 4 H 5 150 29 30.7 6.95 8.61E-04 20 7.79E-08 4.73E-08 1.81E-08 03/01/97 Yes Yes 3705 172 1058 C 4 H 6 0 29 10.39 68.94 1.64E-04 20 6.15E-09 1.15E-09 2.66E-08 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 5 29.05 18.77 72.31 2.38E-04 20 7.27E-09 2.53E-09 3.94E-08 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 10 29.1 16.65 76.27 2.53E-04 20 6.09E-09 1.86E-09 4.25E-08 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 15 29.15 66.82 74.36 2.47E-04 20 2.79E-09 6.65E-09 4.13E-08 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 20 29.2 45.19 67.54 2.56E-04 20 7.30E-09 7.51E-09 4.09E-08 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 25 29.25 43.16 67.64 2.31E-04 20 6.80E-09 6.52E-09 3.71E-08 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 30 29.3 24.7 60.78 2.31E-04 20 1.08E-08 5.10E-09 3.49E-08 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 35 29.35 349.08 52.8 2.43E-04 20 1.53E-08 -3.02E-09 3.36E-08 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 40 29.4 347.97 73.49 2.27E-04 20 6.70E-09 -1.46E-09 3.78E-08 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 45 29.45 86.67 54.04 1.73E-04 20 6.24E-10 1.10E-08 2.42E-08 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 50 29.5 63.94 45.18 1.53E-04 20 5.03E-09 1.05E-08 1.88E-08 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 55 29.55 53.62 51.91 1.32E-04 20 5.14E-09 7.13E-09 1.81E-08 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 60 29.6 24.78 66.59 1.16E-04 20 4.45E-09 2.10E-09 1.85E-08 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 65 29.65 63.19 54.51 1.05E-04 20 2.92E-09 5.90E-09 1.48E-08 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 70 29.7 58.72 53.7 8.07E-05 20 2.63E-09 4.43E-09 1.13E-08 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 75 29.75 85.57 62.2 5.78E-05 20 2.21E-10 2.91E-09 8.86E-09 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 80 29.8 96.4 75.1 4.14E-05 20 -1.26E-10 1.15E-09 6.94E-09 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 85 29.85 50.36 67.02 5.03E-05 20 1.33E-09 1.64E-09 8.03E-09 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 90 29.9 21.77 24.91 8.38E-05 20 7.48E-09 3.06E-09 6.12E-09 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 95 29.95 21.08 33.58 6.12E-05 20 5.05E-09 1.99E-09 5.87E-09 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 100 30 80.47 80.29 4.31E-05 20 1.28E-10 7.78E-10 7.37E-09 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 105 30.05 98.95 52.78 5.16E-05 20 -5.15E-10 3.35E-09 7.13E-09 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 110 30.1 44.78 52.3 3.30E-05 20 1.52E-09 1.54E-09 4.53E-09 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 115 30.15 7.95 37.1 8.66E-05 20 7.25E-09 1.04E-09 9.05E-09 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 120 30.2 35.58 65.67 7.50E-05 20 2.66E-09 1.95E-09 1.18E-08 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 125 30.25 7.36 57.65 7.08E-05 20 3.98E-09 5.26E-10 1.04E-08 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 130 30.3 6.08 60.17 7.82E-05 20 4.10E-09 4.46E-10 1.18E-08 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 135 30.35 71.14 63.09 8.24E-05 20 1.28E-09 3.83E-09 1.27E-08 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 140 30.4 70.39 50.63 7.67E-05 20 1.73E-09 4.97E-09 1.03E-08 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 145 30.45 41.72 50.4 8.88E-05 20 4.48E-09 4.08E-09 1.19E-08 03/01/97 Yes Yes 3707 172 1058 C 4 H 6 150 30.5 98.9 70.75 5.56E-05 20 -3.01E-10 1.96E-09 9.10E-09 03/01/97 Yes Yes 3707 172 1058 C 4 H 7 0 30.5 358.02 45.26 4.29E-05 20 3.20E-09 -1.13E-10 5.28E-09 03/01/97 Yes Yes 3709 172 1058 C 4 H 7 5 30.55 45.21 53.91 6.16E-05 20 2.71E-09 2.79E-09 8.63E-09 03/01/97 Yes Yes 3709 172 1058 C 4 H 7 10 30.6 64.39 37.9 6.74E-05 20 2.44E-09 5.20E-09 7.18E-09 03/01/97 Yes Yes 3709 172 1058 C 4 H 7 15 30.65 13.53 36.77 5.79E-05 20 4.78E-09 1.18E-09 6.00E-09 03/01/97 Yes Yes 3709 172 1058 C 4 H 7 20 30.7 334.22 47.97 7.46E-05 20 4.77E-09 -2.36E-09 9.60E-09 03/01/97 Yes Yes 3709 172 1058 C 4 H 7 25 30.75 348.05 73.54 5.68E-05 20 1.67E-09 -3.62E-10 9.45E-09 03/01/97 Yes Yes 3709 172 1058 C 4 H 7 30 30.8 340.08 61.9 5.01E-05 20 2.35E-09 -8.71E-10 7.65E-09 03/01/97 Yes Yes 3709 172 1058 C 4 H 7 35 30.85 346.06 27.16 1.14E-04 20 1.04E-08 -2.64E-09 8.98E-09 03/01/97 Yes Yes 3709 172 1058 C 4 H 7 40 30.9 333.38 40.8 1.34E-04 20 9.59E-09 -4.92E-09 1.51E-08 03/01/97 Yes Yes 3709 172 1058 C 4 H 7 45 30.95 336.65 73.14 8.88E-05 20 2.51E-09 -1.11E-09 1.47E-08 03/01/97 Yes Yes 3709 172 1058 C 4 H 7 50 31 330.41 21.84 3.51E-04 20 3.00E-08 -1.74E-08 2.26E-08 03/01/97 Yes Yes 3709 172 1058 C 4 H 7 55 31.05 347.81 54.98 4.34E-04 20 2.58E-08 -5.70E-09 6.16E-08 03/01/97 Yes Yes 3709 172 1058 C 4 H 7 60 31.1 150.58 29.83 2.25E-04 20 -1.80E-08 1.04E-08 1.94E-08 03/01/97 Yes Yes 3709 172 1058 C 4 H 7 65 31.15 268.43 22.86 6.51E-05 20 -1.74E-10 -6.51E-09 4.39E-09 03/01/97 Yes Yes 3709 172 1058 C 4 H 7 70 31.2 334.12 -64.87 6.81E-05 20 2.76E-09 -1.37E-09 -1.07E-08 03/01/97 Yes Yes 3709 172 1058 C 5 H 1 0 31 314.39 71.16 1.33E-03 20 3.19E-08 -3.33E-08 2.18E-07 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 5 31.05 237.38 80.64 2.21E-03 20 -2.06E-08 -3.29E-08 3.79E-07 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 10 31.1 172.65 74.02 1.75E-03 20 -5.08E-08 6.70E-09 2.92E-07 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 15 31.15 97.4 64.47 7.80E-04 20 -4.59E-09 3.62E-08 1.22E-07 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 20 31.2 37.99 -3.83 4.89E-04 20 4.08E-08 3.26E-08 -5.66E-09 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 25 31.25 357.78 2.18 2.06E-04 20 2.18E-08 -8.63E-10 1.36E-09 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 30 31.3 223.38 43.14 1.16E-04 20 -6.52E-09 -6.29E-09 1.37E-08 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 35 31.35 203.52 49.57 1.10E-04 20 -6.92E-09 -3.08E-09 1.45E-08 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 40 31.4 276.29 68.43 9.30E-05 20 3.97E-10 -3.69E-09 1.50E-08 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 45 31.45 280.53 67.89 1.14E-04 20 8.28E-10 -4.56E-09 1.82E-08 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 50 31.5 299.05 56.36 1.39E-04 20 3.97E-09 -7.32E-09 2.01E-08 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 55 31.55 172.59 75.62 1.62E-04 20 -4.23E-09 5.62E-10 2.72E-08 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 60 31.6 164.43 58.62 1.01E-04 20 -5.39E-09 1.53E-09 1.50E-08 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 65 31.65 60.28 59.6 1.05E-04 20 2.80E-09 5.02E-09 1.58E-08 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 70 31.7 147.74 63.48 1.26E-04 20 -5.06E-09 3.27E-09 1.96E-08 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 75 31.75 189.07 33.05 1.04E-04 20 -9.17E-09 -1.50E-09 9.88E-09 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 80 31.8 231.32 56.82 5.54E-05 20 -2.01E-09 -2.57E-09 8.04E-09 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 85 31.85 290.29 25.71 7.91E-05 20 2.62E-09 -7.25E-09 5.95E-09 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 90 31.9 197.51 52.87 3.23E-05 20 -1.97E-09 -6.36E-10 4.46E-09 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 95 31.95 118 5.29 1.18E-04 20 -5.86E-09 1.13E-08 1.89E-09 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 100 32 156.42 29.82 9.98E-05 20 -8.41E-09 3.76E-09 8.60E-09 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 105 32.05 176.65 45.25 1.14E-04 20 -8.51E-09 5.10E-10 1.41E-08 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 110 32.1 241.79 44.39 1.16E-04 20 -4.17E-09 -7.95E-09 1.41E-08 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 115 32.15 317.5 70.92 8.98E-05 20 2.30E-09 -2.15E-09 1.47E-08 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 120 32.2 279.24 86.57 8.63E-05 20 8.78E-11 -5.52E-10 1.49E-08 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 125 32.25 237.02 54.96 8.14E-05 20 -2.70E-09 -4.25E-09 1.16E-08 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 130 32.3 176.8 70.53 1.16E-04 20 -4.11E-09 2.35E-10 1.90E-08 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 135 32.35 274.28 73.51 1.39E-04 20 3.12E-10 -4.26E-09 2.31E-08 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 140 32.4 279.53 63.65 2.47E-04 20 1.92E-09 -1.17E-08 3.83E-08 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 145 32.45 226.25 45.62 2.54E-04 20 -1.30E-08 -1.39E-08 3.15E-08 03/01/97 Yes Yes 3711 172 1058 C 5 H 1 150 32.5 217.74 46.96 1.16E-04 20 -6.63E-09 -5.24E-09 1.47E-08 03/01/97 Yes Yes 3711 172 1058 C 5 H 2 0 32.5 280.17 57.15 1.05E-04 20 1.07E-09 -6.08E-09 1.53E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 5 32.55 246.15 53.8 1.19E-04 20 -3.02E-09 -6.99E-09 1.67E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 10 32.6 229.89 63.19 9.77E-05 20 -3.01E-09 -3.66E-09 1.51E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 15 32.65 216.25 60.81 1.06E-04 20 -4.43E-09 -3.32E-09 1.61E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 20 32.7 242.75 50.32 1.24E-04 20 -3.85E-09 -7.65E-09 1.66E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 25 32.75 257.69 67.45 1.12E-04 20 -9.69E-10 -4.54E-09 1.79E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 30 32.8 262.16 65.67 1.26E-04 20 -7.53E-10 -5.59E-09 1.99E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 35 32.85 311.03 67.26 1.31E-04 20 3.54E-09 -4.16E-09 2.10E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 40 32.9 252.52 67.1 1.49E-04 20 -1.84E-09 -5.98E-09 2.37E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 45 32.95 265.47 62.64 1.62E-04 20 -6.22E-10 -8.03E-09 2.49E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 50 33 237.2 54.93 1.38E-04 20 -4.54E-09 -7.20E-09 1.95E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 55 33.05 234.37 65.37 8.24E-05 20 -2.12E-09 -3.03E-09 1.30E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 60 33.1 217.66 66.87 7.43E-05 20 -2.45E-09 -1.93E-09 1.18E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 65 33.15 280.21 43.67 1.07E-04 20 1.45E-09 -8.23E-09 1.28E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 70 33.2 288.34 43.57 1.30E-04 20 3.14E-09 -9.68E-09 1.55E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 75 33.25 294.23 66.83 1.24E-04 20 2.13E-09 -4.83E-09 1.98E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 80 33.3 282.57 69.94 1.15E-04 20 9.13E-10 -4.19E-09 1.88E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 85 33.35 303.35 56.1 1.46E-04 20 4.74E-09 -7.36E-09 2.09E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 90 33.4 253.46 70.17 1.40E-04 20 -1.43E-09 -4.92E-09 2.28E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 95 33.45 254.45 65.3 1.18E-04 20 -1.40E-09 -5.16E-09 1.86E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 100 33.5 134.07 85.75 1.07E-04 20 -5.86E-10 6.18E-10 1.85E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 105 33.55 233.2 69.63 1.35E-04 20 -2.99E-09 -4.08E-09 2.19E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 110 33.6 239.17 56.31 1.36E-04 20 -4.10E-09 -7.03E-09 1.96E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 115 33.65 199.9 72.44 9.64E-05 20 -2.90E-09 -1.07E-09 1.59E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 120 33.7 263.08 66.67 9.91E-05 20 -5.02E-10 -4.22E-09 1.58E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 125 33.75 252.9 69.6 1.14E-04 20 -1.24E-09 -4.12E-09 1.85E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 130 33.8 272.93 60.78 1.02E-04 20 2.69E-10 -5.38E-09 1.54E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 135 33.85 234.21 72.6 1.04E-04 20 -1.92E-09 -2.72E-09 1.71E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 140 33.9 225.93 79.55 1.05E-04 20 -1.41E-09 -1.49E-09 1.80E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 145 33.95 228.36 42.54 1.12E-04 20 -5.82E-09 -6.70E-09 1.31E-08 03/01/97 Yes Yes 3713 172 1058 C 5 H 2 150 34 201.8 42.11 3.94E-05 20 -2.88E-09 -1.18E-09 4.58E-09 03/01/97 Yes Yes 3713 172 1058 C 5 H 3 0 34 273.69 47.54 9.11E-05 20 4.19E-10 -6.65E-09 1.16E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 5 34.05 238.36 59.85 1.15E-04 20 -3.20E-09 -5.31E-09 1.72E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 10 34.1 247.42 51.54 1.35E-04 20 -3.41E-09 -8.38E-09 1.83E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 15 34.15 267.99 65.82 9.47E-05 20 -1.44E-10 -4.21E-09 1.50E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 20 34.2 230.52 69.94 9.60E-05 20 -2.22E-09 -2.76E-09 1.56E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 25 34.25 238.19 59.8 1.11E-04 20 -3.11E-09 -5.13E-09 1.66E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 30 34.3 249.33 59.43 9.24E-05 20 -1.76E-09 -4.77E-09 1.38E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 35 34.35 239.05 55.45 7.54E-05 20 -2.33E-09 -3.98E-09 1.08E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 40 34.4 260.01 55.55 7.45E-05 20 -7.75E-10 -4.50E-09 1.06E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 45 34.45 60.94 65.25 8.00E-05 20 1.73E-09 3.18E-09 1.26E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 50 34.5 355.5 78.89 1.06E-04 20 2.17E-09 -1.74E-10 1.81E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 55 34.55 280.91 81.67 1.05E-04 20 3.06E-10 -1.62E-09 1.80E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 60 34.6 197.01 73.27 9.20E-05 20 -2.69E-09 -8.40E-10 1.53E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 65 34.65 257.88 51.9 7.35E-05 20 -1.01E-09 -4.81E-09 1.00E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 70 34.7 297.19 39.06 9.27E-05 20 3.49E-09 -6.94E-09 1.01E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 75 34.75 27.06 43.83 1.62E-04 20 1.11E-08 5.78E-09 1.95E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 80 34.8 55.22 59.77 5.07E-04 20 1.55E-08 2.28E-08 7.60E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 85 34.85 179.4 26.52 1.20E-03 20 -1.14E-07 1.22E-09 9.28E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 90 34.9 190.96 22.66 2.93E-04 20 -2.82E-08 -5.58E-09 1.96E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 95 34.95 352.65 35.25 1.67E-04 20 1.43E-08 -1.89E-09 1.67E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 100 35 306.83 44.29 1.54E-04 20 6.99E-09 -9.55E-09 1.86E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 105 35.05 278.44 50.69 1.25E-04 20 1.23E-09 -8.47E-09 1.67E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 110 35.1 202.23 71.83 1.05E-04 20 -3.21E-09 -1.34E-09 1.73E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 115 35.15 195.46 59.07 1.19E-04 20 -6.24E-09 -1.76E-09 1.77E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 120 35.2 237.57 39.87 1.44E-04 20 -6.27E-09 -1.01E-08 1.60E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 125 35.25 255.83 45.06 1.11E-04 20 -2.04E-09 -8.26E-09 1.37E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 130 35.3 271.56 53.02 8.83E-05 20 1.53E-10 -5.76E-09 1.22E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 135 35.35 256.25 79.11 9.32E-05 20 -4.44E-10 -1.85E-09 1.59E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 140 35.4 233.09 54.74 1.62E-04 20 -5.94E-09 -8.09E-09 2.29E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 145 35.45 208.29 65.75 1.36E-04 20 -5.22E-09 -2.87E-09 2.15E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 3 150 35.5 231.85 43.99 1.29E-04 20 -6.06E-09 -7.89E-09 1.55E-08 03/01/97 Yes Yes 3715 172 1058 C 5 H 4 0 35.5 190.96 42.28 7.13E-05 20 -5.49E-09 -1.09E-09 8.31E-09 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 5 35.55 265.51 32.62 1.51E-04 20 -1.05E-09 -1.37E-08 1.41E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 10 35.6 243.87 84.63 1.21E-04 20 -5.27E-10 -1.10E-09 2.08E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 15 35.65 185.7 80 1.70E-04 20 -3.12E-09 -3.18E-10 2.90E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 20 35.7 146.63 68.93 2.57E-04 20 -8.18E-09 5.51E-09 4.15E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 25 35.75 254.42 38.49 3.21E-04 20 -7.16E-09 -2.63E-08 3.47E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 30 35.8 247.82 44.22 2.92E-04 20 -8.39E-09 -2.10E-08 3.53E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 35 35.85 217.89 69.91 2.35E-04 20 -6.75E-09 -5.37E-09 3.82E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 40 35.9 161.83 74.04 2.63E-04 20 -7.29E-09 2.45E-09 4.39E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 45 35.95 249.37 57.66 3.17E-04 20 -6.34E-09 -1.72E-08 4.65E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 50 36 271.73 43.95 3.09E-04 20 7.11E-10 -2.41E-08 3.72E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 55 36.05 253.36 60.74 2.62E-04 20 -3.88E-09 -1.33E-08 3.96E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 60 36.1 78.45 89.01 2.53E-04 20 9.31E-11 4.66E-10 4.39E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 65 36.15 276.68 81.63 3.32E-04 20 5.96E-10 -5.21E-09 5.69E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 70 36.2 283.98 55.38 4.98E-04 20 7.25E-09 -2.98E-08 7.10E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 75 36.25 8.2 81.9 3.33E-04 20 4.93E-09 7.26E-10 5.72E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 80 36.3 220.63 67.83 2.70E-04 20 -8.20E-09 -7.20E-09 4.34E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 85 36.35 245.44 56.07 2.59E-04 20 -6.37E-09 -1.43E-08 3.72E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 90 36.4 222.31 70.41 2.22E-04 20 -5.83E-09 -5.43E-09 3.62E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 95 36.45 188.73 81.04 2.32E-04 20 -3.78E-09 -5.94E-10 3.97E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 100 36.5 264.95 67.94 3.13E-04 20 -1.10E-09 -1.27E-08 5.03E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 105 36.55 253.7 47.85 5.39E-04 20 -1.08E-08 -3.76E-08 6.93E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 110 36.6 246.74 50.77 5.96E-04 20 -1.58E-08 -3.76E-08 8.00E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 115 36.65 245.18 49.18 5.42E-04 20 -1.58E-08 -3.49E-08 7.11E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 120 36.7 256.24 45.6 5.18E-04 20 -9.15E-09 -3.82E-08 6.42E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 125 36.75 279.18 70.73 4.51E-04 20 2.52E-09 -1.60E-08 7.39E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 130 36.8 234.45 56.39 5.24E-04 20 -1.79E-08 -2.56E-08 7.57E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 135 36.85 232.48 46.9 5.89E-04 20 -2.60E-08 -3.46E-08 7.46E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 140 36.9 235.7 53.6 4.05E-04 20 -1.44E-08 -2.16E-08 5.66E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 145 36.95 254.85 45.45 2.49E-04 20 -4.83E-09 -1.83E-08 3.07E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 4 150 37 244.48 73.35 7.68E-05 20 -1.01E-09 -2.15E-09 1.28E-08 03/01/97 Yes Yes 3717 172 1058 C 5 H 5 0 37 254.94 58.63 3.11E-04 20 -4.46E-09 -1.69E-08 4.60E-08 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 5 37.05 240.79 52.97 5.93E-04 20 -1.85E-08 -3.38E-08 8.21E-08 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 10 37.1 233.9 65.03 5.99E-04 20 -1.58E-08 -2.22E-08 9.42E-08 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 15 37.15 235.87 46.85 7.42E-04 20 -3.02E-08 -4.55E-08 9.38E-08 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 20 37.2 234.55 52.52 7.72E-04 20 -2.89E-08 -4.15E-08 1.06E-07 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 25 37.25 233.81 58.37 7.44E-04 20 -2.44E-08 -3.42E-08 1.10E-07 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 30 37.3 232.93 52.12 9.40E-04 20 -3.69E-08 -5.00E-08 1.29E-07 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 35 37.35 230.71 51.8 8.77E-04 20 -3.64E-08 -4.55E-08 1.20E-07 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 40 37.4 226.55 58.74 9.10E-04 20 -3.44E-08 -3.72E-08 1.35E-07 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 45 37.45 236.22 57.46 9.02E-04 20 -2.86E-08 -4.38E-08 1.32E-07 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 50 37.5 247.25 43.51 1.07E-03 20 -3.19E-08 -7.77E-08 1.28E-07 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 55 37.55 241.58 49.06 1.20E-03 20 -3.97E-08 -7.50E-08 1.57E-07 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 60 37.6 236.09 58.38 1.22E-03 20 -3.80E-08 -5.77E-08 1.81E-07 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 65 37.65 237.91 55.1 1.21E-03 20 -3.90E-08 -6.35E-08 1.72E-07 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 70 37.7 241.87 57.18 9.53E-04 20 -2.58E-08 -4.94E-08 1.39E-07 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 75 37.75 241.79 49.82 8.84E-04 20 -2.86E-08 -5.45E-08 1.17E-07 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 80 37.8 235.24 53.17 6.07E-04 20 -2.20E-08 -3.24E-08 8.43E-08 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 85 37.85 240.72 63.34 4.22E-04 20 -9.82E-09 -1.79E-08 6.53E-08 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 90 37.9 238.62 63.89 5.05E-04 20 -1.23E-08 -2.06E-08 7.86E-08 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 95 37.95 230.84 56.57 5.58E-04 20 -2.06E-08 -2.58E-08 8.07E-08 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 100 38 235.38 54.82 5.43E-04 20 -1.88E-08 -2.79E-08 7.69E-08 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 105 38.05 230.62 56.56 4.89E-04 20 -1.81E-08 -2.26E-08 7.07E-08 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 110 38.1 250.12 57.44 4.95E-04 20 -9.61E-09 -2.72E-08 7.23E-08 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 115 38.15 250.85 58.71 6.96E-04 20 -1.26E-08 -3.70E-08 1.03E-07 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 120 38.2 242.85 61.77 7.83E-04 20 -1.79E-08 -3.58E-08 1.20E-07 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 125 38.25 241.35 48.72 1.17E-03 20 -3.92E-08 -7.33E-08 1.52E-07 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 130 38.3 231.4 46.43 9.93E-04 20 -4.53E-08 -5.80E-08 1.25E-07 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 135 38.35 234.34 53.66 7.31E-04 20 -2.68E-08 -3.82E-08 1.02E-07 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 140 38.4 233.08 48.97 6.56E-04 20 -2.75E-08 -3.74E-08 8.58E-08 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 145 38.45 233.48 51.78 4.58E-04 20 -1.79E-08 -2.47E-08 6.24E-08 03/01/97 Yes Yes 3719 172 1058 C 5 H 5 150 38.5 230.22 56.19 2.00E-04 20 -7.55E-09 -9.27E-09 2.88E-08 03/01/97 Yes Yes 3719 172 1058 C 5 H 6 0 38.5 282.76 56.47 1.21E-04 20 1.56E-09 -7.06E-09 1.74E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 5 38.55 254.16 78.63 1.43E-04 20 -8.17E-10 -2.94E-09 2.43E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 10 38.6 194.73 73.88 1.46E-04 20 -4.15E-09 -1.11E-09 2.42E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 15 38.65 268.82 68.26 1.57E-04 20 -1.26E-10 -6.29E-09 2.52E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 20 38.7 236.36 62.56 2.06E-04 20 -5.58E-09 -8.57E-09 3.17E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 25 38.75 238.49 53.41 2.45E-04 20 -8.09E-09 -1.35E-08 3.41E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 30 38.8 235.08 58.11 2.00E-04 20 -6.42E-09 -9.40E-09 2.95E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 35 38.85 225.46 68.9 1.46E-04 20 -3.91E-09 -4.07E-09 2.36E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 40 38.9 223.13 61.88 1.58E-04 20 -5.77E-09 -5.52E-09 2.42E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 45 38.95 237.82 56.74 1.78E-04 20 -5.51E-09 -8.95E-09 2.58E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 50 39 250.8 65.55 1.59E-04 20 -2.29E-09 -6.72E-09 2.50E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 55 39.05 266.86 81.86 1.21E-04 20 -9.90E-11 -1.85E-09 2.07E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 60 39.1 179.5 77.71 9.78E-05 20 -2.21E-09 1.96E-11 1.66E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 65 39.15 227.4 79.66 9.21E-05 20 -1.19E-09 -1.32E-09 1.57E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 70 39.2 254.18 61.76 1.43E-04 20 -1.96E-09 -7.06E-09 2.18E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 75 39.25 239.5 60.43 2.18E-04 20 -5.78E-09 -1.00E-08 3.28E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 80 39.3 221.42 57.05 2.84E-04 20 -1.23E-08 -1.11E-08 4.13E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 85 39.35 222.21 46.66 3.79E-04 20 -2.05E-08 -1.90E-08 4.78E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 90 39.4 216.76 44.83 3.87E-04 20 -2.33E-08 -1.78E-08 4.73E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 95 39.45 232.18 54.37 3.07E-04 20 -1.16E-08 -1.53E-08 4.32E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 100 39.5 235.81 57.5 2.51E-04 20 -8.04E-09 -1.21E-08 3.67E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 105 39.55 241.95 65.24 2.18E-04 20 -4.54E-09 -8.72E-09 3.42E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 110 39.6 229.54 61.45 2.65E-04 20 -8.73E-09 -1.05E-08 4.04E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 115 39.65 226.25 55.6 3.07E-04 20 -1.27E-08 -1.36E-08 4.40E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 120 39.7 222.08 56.29 3.37E-04 20 -1.47E-08 -1.36E-08 4.86E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 125 39.75 231.36 55.91 3.75E-04 20 -1.39E-08 -1.78E-08 5.38E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 130 39.8 231.11 55.77 4.42E-04 20 -1.66E-08 -2.10E-08 6.34E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 135 39.85 235.17 47.76 5.62E-04 20 -2.29E-08 -3.36E-08 7.21E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 140 39.9 232.17 47.45 6.27E-04 20 -2.76E-08 -3.63E-08 8.00E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 145 39.95 220.75 43.36 6.79E-04 20 -3.97E-08 -3.49E-08 8.08E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 6 150 40 208.98 43.33 3.44E-04 20 -2.32E-08 -1.32E-08 4.09E-08 03/01/97 Yes Yes 3721 172 1058 C 5 H 7 0 40 237.55 42.33 3.76E-04 20 -1.58E-08 -2.54E-08 4.39E-08 03/01/97 Yes Yes 3723 172 1058 C 5 H 7 5 40.05 228.11 46.17 2.85E-04 20 -1.40E-08 -1.59E-08 3.56E-08 03/01/97 Yes Yes 3723 172 1058 C 5 H 7 10 40.1 231.15 65.76 1.21E-04 20 -3.31E-09 -4.20E-09 1.92E-08 03/01/97 Yes Yes 3723 172 1058 C 5 H 7 15 40.15 259.59 51.85 9.68E-05 20 -1.15E-09 -6.38E-09 1.32E-08 03/01/97 Yes Yes 3723 172 1058 C 5 H 7 20 40.2 272.33 69.59 7.69E-05 20 1.16E-10 -2.91E-09 1.25E-08 03/01/97 Yes Yes 3723 172 1058 C 5 H 7 25 40.25 70.97 81.73 8.64E-05 20 4.30E-10 1.27E-09 1.48E-08 03/01/97 Yes Yes 3723 172 1058 C 5 H 7 30 40.3 208.14 68.45 8.09E-05 20 -2.78E-09 -1.52E-09 1.30E-08 03/01/97 Yes Yes 3723 172 1058 C 5 H 7 35 40.35 321.25 70.02 7.47E-05 20 2.11E-09 -1.73E-09 1.22E-08 03/01/97 Yes Yes 3723 172 1058 C 5 H 7 40 40.4 236.14 55.44 8.86E-05 20 -2.97E-09 -4.53E-09 1.26E-08 03/01/97 Yes Yes 3723 172 1058 C 5 H 7 45 40.45 175.56 32.37 1.23E-04 20 -1.10E-08 8.70E-10 1.14E-08 03/01/97 Yes Yes 3723 172 1058 C 5 H 7 50 40.5 198.28 49.85 9.85E-05 20 -6.40E-09 -2.16E-09 1.31E-08 03/01/97 Yes Yes 3723 172 1058 C 5 H 7 55 40.55 333.75 16.65 1.04E-03 20 9.51E-08 -4.80E-08 5.18E-08 03/01/97 Yes Yes 3723 172 1058 C 5 H 7 60 40.6 352.71 73.9 7.90E-04 20 2.30E-08 -3.01E-09 1.32E-07 03/01/97 Yes Yes 3723 172 1058 C 5 H 7 65 40.65 165.33 40 3.26E-04 20 -2.57E-08 6.87E-09 3.64E-08 03/01/97 Yes Yes 3723 172 1058 C 5 H 7 70 40.7 120.73 81.07 1.08E-04 20 -9.08E-10 1.56E-09 1.85E-08 03/01/97 Yes Yes 3723 172 1058 C 5 H 7 75 40.75 146.4 53.32 2.08E-04 20 -1.10E-08 7.44E-09 2.89E-08 03/01/97 Yes Yes 3723 172 1058 C 6 H 1 0 40.5 222.57 43.49 3.82E-04 20 -2.16E-08 -2.03E-08 4.55E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 5 40.55 47.52 65.02 1.36E-04 20 4.11E-09 4.59E-09 2.14E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 10 40.6 29.45 49.01 2.90E-04 20 1.76E-08 1.01E-08 3.80E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 15 40.65 210.34 45.76 2.38E-04 20 -1.52E-08 -9.11E-09 2.96E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 20 40.7 229.33 62.59 7.65E-05 20 -2.43E-09 -2.90E-09 1.18E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 25 40.75 276.2 60.61 7.04E-05 20 3.96E-10 -3.73E-09 1.06E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 30 40.8 257.76 35.66 1.47E-04 20 -2.68E-09 -1.26E-08 1.48E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 35 40.85 347.87 58.83 1.16E-04 20 6.22E-09 -1.37E-09 1.72E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 40 40.9 307.42 60.78 1.45E-04 20 4.58E-09 -6.12E-09 2.20E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 45 40.95 304.42 67.13 1.37E-04 20 3.20E-09 -4.77E-09 2.19E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 50 41 282.14 61.82 1.52E-04 20 1.60E-09 -7.62E-09 2.33E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 55 41.05 320.49 63.68 1.61E-04 20 5.84E-09 -4.93E-09 2.50E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 60 41.1 311.82 64.36 1.53E-04 20 4.69E-09 -5.35E-09 2.39E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 65 41.15 318.49 66.5 1.49E-04 20 4.72E-09 -4.28E-09 2.37E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 70 41.2 304.44 57.91 1.60E-04 20 5.10E-09 -7.60E-09 2.35E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 75 41.25 300.98 61.05 1.38E-04 20 3.64E-09 -6.21E-09 2.09E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 80 41.3 309.9 58.44 1.27E-04 20 4.53E-09 -5.55E-09 1.88E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 85 41.35 315.53 54.73 1.31E-04 20 5.72E-09 -5.74E-09 1.85E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 90 41.4 298.16 51.68 1.48E-04 20 4.58E-09 -8.75E-09 2.01E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 95 41.45 296.88 62.36 1.42E-04 20 3.16E-09 -6.38E-09 2.18E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 100 41.5 308.8 62.92 1.38E-04 20 4.17E-09 -5.30E-09 2.13E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 105 41.55 303.73 57.15 1.40E-04 20 4.48E-09 -6.87E-09 2.04E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 110 41.6 294.82 52.39 1.30E-04 20 3.53E-09 -7.81E-09 1.78E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 115 41.65 299.68 47.9 1.40E-04 20 4.92E-09 -8.82E-09 1.80E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 120 41.7 289.64 53.78 1.41E-04 20 2.97E-09 -8.50E-09 1.97E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 125 41.75 279.44 50.17 1.40E-04 20 1.56E-09 -9.57E-09 1.86E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 130 41.8 286.27 52.56 1.32E-04 20 2.38E-09 -8.35E-09 1.82E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 135 41.85 279.1 52.18 1.29E-04 20 1.33E-09 -8.50E-09 1.77E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 140 41.9 277.06 55.45 1.09E-04 20 8.08E-10 -6.67E-09 1.56E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 145 41.95 305.14 50.34 9.83E-05 20 3.83E-09 -5.56E-09 1.31E-08 03/01/97 Yes Yes 3725 172 1058 C 6 H 1 150 42 280.15 84.31 4.22E-05 20 7.82E-11 -4.46E-10 7.27E-09 03/01/97 Yes Yes 3725 172 1058 C 6 H 2 0 42 161.27 50.78 4.98E-05 20 -3.16E-09 1.10E-09 6.69E-09 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 5 42.05 107.94 45.17 7.99E-05 20 -1.84E-09 5.81E-09 9.83E-09 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 10 42.1 261.3 34.32 1.36E-04 20 -1.80E-09 -1.20E-08 1.33E-08 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 15 42.15 291.34 44.87 9.06E-05 20 2.48E-09 -6.49E-09 1.11E-08 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 20 42.2 328.86 39.49 1.54E-04 20 1.08E-08 -6.65E-09 1.69E-08 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 25 42.25 298.78 33.94 1.34E-04 20 5.69E-09 -1.06E-08 1.30E-08 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 30 42.3 3.9 37.92 1.34E-04 20 1.12E-08 7.80E-10 1.43E-08 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 35 42.35 285.54 60.16 1.03E-04 20 1.46E-09 -5.38E-09 1.56E-08 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 40 42.4 254.42 54.51 8.25E-05 20 -1.37E-09 -5.00E-09 1.17E-08 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 45 42.45 273.2 32.84 4.58E-05 20 2.28E-10 -4.17E-09 4.31E-09 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 50 42.5 241.27 -7.03 2.13E-04 20 -1.08E-08 -2.01E-08 -4.51E-09 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 55 42.55 299.41 -25.91 3.11E-04 20 1.46E-08 -2.64E-08 -2.36E-08 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 60 42.6 331.1 -2.73 2.19E-04 20 2.04E-08 -1.15E-08 -1.81E-09 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 65 42.65 315 22.43 7.85E-05 20 5.44E-09 -5.56E-09 5.19E-09 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 70 42.7 291.89 66.25 6.74E-05 20 1.07E-09 -2.73E-09 1.07E-08 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 75 42.75 281.23 52.76 1.02E-04 20 1.27E-09 -6.55E-09 1.41E-08 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 80 42.8 271.21 54.94 9.65E-05 20 1.24E-10 -6.01E-09 1.37E-08 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 85 42.85 298.89 47.84 9.47E-05 20 3.26E-09 -6.04E-09 1.22E-08 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 90 42.9 313.71 59.31 9.81E-05 20 3.67E-09 -3.92E-09 1.46E-08 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 95 42.95 306.99 69.51 7.84E-05 20 1.75E-09 -2.38E-09 1.27E-08 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 100 43 306.78 51.59 9.01E-05 20 3.55E-09 -4.86E-09 1.22E-08 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 105 43.05 279.89 39.44 1.05E-04 20 1.48E-09 -8.67E-09 1.16E-08 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 110 43.1 286.5 38.42 7.48E-05 20 1.77E-09 -6.09E-09 8.06E-09 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 115 43.15 294.27 42.47 7.99E-05 20 2.57E-09 -5.83E-09 9.35E-09 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 120 43.2 291 51.71 8.11E-05 20 1.91E-09 -5.09E-09 1.10E-08 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 125 43.25 266.74 67.57 6.53E-05 20 -1.50E-10 -2.70E-09 1.05E-08 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 130 43.3 352.71 69.19 7.33E-05 20 2.74E-09 -3.59E-10 1.19E-08 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 135 43.35 327.43 46.67 1.95E-04 20 1.19E-08 -7.80E-09 2.45E-08 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 140 43.4 251.01 35.49 2.38E-04 20 -6.70E-09 -1.99E-08 2.40E-08 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 145 43.45 236.12 60.56 9.14E-05 20 -2.66E-09 -4.05E-09 1.38E-08 03/01/97 Yes Yes 3727 172 1058 C 6 H 2 150 43.5 261.66 62.91 4.20E-05 20 -2.94E-10 -2.05E-09 6.48E-09 03/01/97 Yes Yes 3727 172 1058 C 6 H 3 0 43.5 295.81 52.31 4.63E-05 20 1.31E-09 -2.76E-09 6.35E-09 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 5 43.55 294.09 42.53 8.39E-05 20 2.68E-09 -6.12E-09 9.83E-09 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 10 43.6 292.42 56.83 6.10E-05 20 1.35E-09 -3.35E-09 8.86E-09 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 15 43.65 264.47 23.22 7.33E-05 20 -6.88E-10 -7.27E-09 5.01E-09 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 20 43.7 18.42 36.75 3.97E-05 20 3.20E-09 1.09E-09 4.12E-09 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 25 43.75 317.13 59.39 5.01E-05 20 1.98E-09 -1.88E-09 7.48E-09 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 30 43.8 272.28 17.92 6.76E-05 20 2.72E-10 -6.98E-09 3.61E-09 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 35 43.85 300.06 11.74 1.53E-04 20 7.98E-09 -1.41E-08 5.41E-09 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 40 43.9 296.12 45.2 8.80E-05 20 2.89E-09 -6.04E-09 1.08E-08 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 45 43.95 270.42 57.47 9.00E-05 20 3.80E-11 -5.25E-09 1.32E-08 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 50 44 292.65 53.37 8.45E-05 20 2.06E-09 -5.05E-09 1.18E-08 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 55 44.05 303.08 46.27 8.38E-05 20 3.35E-09 -5.27E-09 1.05E-08 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 60 44.1 290.52 40.23 1.19E-04 20 3.36E-09 -9.19E-09 1.33E-08 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 65 44.15 321.82 62.46 8.16E-05 20 3.14E-09 -2.53E-09 1.25E-08 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 70 44.2 286.56 56.74 8.57E-05 20 1.42E-09 -4.89E-09 1.24E-08 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 75 44.25 286.85 44.02 8.38E-05 20 1.85E-09 -6.25E-09 1.01E-08 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 80 44.3 314.04 44.18 9.09E-05 20 4.81E-09 -5.08E-09 1.10E-08 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 85 44.35 297.62 49.86 9.10E-05 20 2.89E-09 -5.64E-09 1.21E-08 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 90 44.4 301.96 51.52 7.49E-05 20 2.62E-09 -4.29E-09 1.02E-08 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 95 44.45 308.81 65.11 7.62E-05 20 2.13E-09 -2.71E-09 1.20E-08 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 100 44.5 299.84 81.16 1.05E-04 20 8.55E-10 -1.52E-09 1.80E-08 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 105 44.55 293.94 65.13 2.21E-04 20 4.00E-09 -9.21E-09 3.47E-08 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 110 44.6 324.24 44.52 6.00E-04 20 3.68E-08 -2.71E-08 7.29E-08 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 115 44.65 306.41 42.42 1.11E-03 20 5.18E-08 -7.18E-08 1.30E-07 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 120 44.7 296.37 40.01 1.42E-03 20 5.13E-08 -1.06E-07 1.58E-07 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 125 44.75 296.86 43.52 1.82E-03 20 6.34E-08 -1.28E-07 2.18E-07 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 130 44.8 293.1 43.95 1.90E-03 20 5.70E-08 -1.37E-07 2.29E-07 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 135 44.85 302.65 47.98 1.60E-03 20 6.14E-08 -9.79E-08 2.06E-07 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 140 44.9 296.73 41.46 1.85E-03 20 6.62E-08 -1.34E-07 2.13E-07 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 145 44.95 296.42 34.72 2.54E-03 20 9.86E-08 -2.03E-07 2.51E-07 03/01/97 Yes Yes 3729 172 1058 C 6 H 3 150 45 282.21 40.4 1.46E-03 20 2.49E-08 -1.18E-07 1.64E-07 03/01/97 Yes Yes 3729 172 1058 C 6 H 4 0 45 302.37 57.59 1.41E-03 20 4.30E-08 -6.94E-08 2.07E-07 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 5 45.05 286.73 39.67 4.14E-03 20 9.73E-08 -3.31E-07 4.58E-07 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 10 45.1 286.93 41.01 5.63E-03 20 1.31E-07 -4.41E-07 6.41E-07 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 15 45.15 287.11 43.85 6.11E-03 20 1.38E-07 -4.57E-07 7.34E-07 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 20 45.2 287.08 44.86 5.69E-03 20 1.26E-07 -4.18E-07 6.96E-07 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 25 45.25 288.18 48.29 4.89E-03 20 1.08E-07 -3.35E-07 6.33E-07 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 30 45.3 298.6 60.15 3.80E-03 20 9.60E-08 -1.80E-07 5.71E-07 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 35 45.35 292.74 63.47 3.14E-03 20 5.76E-08 -1.41E-07 4.88E-07 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 40 45.4 292.67 53.05 3.10E-03 20 7.63E-08 -1.87E-07 4.30E-07 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 45 45.45 284.83 58.81 2.82E-03 20 3.96E-08 -1.53E-07 4.18E-07 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 50 45.5 294.29 53.63 2.77E-03 20 7.17E-08 -1.62E-07 3.87E-07 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 55 45.55 295.1 46.93 4.04E-03 20 1.24E-07 -2.71E-07 5.12E-07 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 60 45.6 281.06 48.74 3.76E-03 20 5.05E-08 -2.64E-07 4.90E-07 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 65 45.65 280.21 49.16 2.80E-03 20 3.44E-08 -1.95E-07 3.67E-07 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 70 45.7 276.49 51.79 1.86E-03 20 1.38E-08 -1.24E-07 2.53E-07 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 75 45.75 277.62 59.39 1.20E-03 20 8.59E-09 -6.56E-08 1.79E-07 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 80 45.8 320.91 46.5 1.52E-03 20 8.59E-08 -7.14E-08 1.91E-07 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 85 45.85 314.25 50.19 1.48E-03 20 7.03E-08 -7.38E-08 1.98E-07 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 90 45.9 275.81 60.42 8.01E-04 20 4.25E-09 -4.26E-08 1.21E-07 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 95 45.95 284.93 47.09 7.55E-04 20 1.41E-08 -5.39E-08 9.59E-08 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 100 46 274.81 50.71 5.11E-04 20 2.88E-09 -3.50E-08 6.86E-08 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 105 46.05 310.24 45.45 5.35E-04 20 2.57E-08 -3.11E-08 6.62E-08 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 110 46.1 314.21 43.48 8.41E-04 20 4.52E-08 -4.75E-08 1.00E-07 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 115 46.15 299 56.89 6.27E-04 20 1.76E-08 -3.25E-08 9.10E-08 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 120 46.2 282.85 43.48 5.82E-04 20 9.96E-09 -4.46E-08 6.94E-08 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 125 46.25 300.33 42.3 6.35E-04 20 2.51E-08 -4.40E-08 7.41E-08 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 130 46.3 306.21 64.16 7.61E-04 20 2.08E-08 -2.90E-08 1.19E-07 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 135 46.35 327.24 67.36 7.54E-04 20 2.59E-08 -1.70E-08 1.21E-07 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 140 46.4 312.74 67.18 7.68E-04 20 2.15E-08 -2.37E-08 1.23E-07 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 145 46.45 309.6 60.19 5.24E-04 20 1.76E-08 -2.18E-08 7.89E-08 03/01/97 Yes Yes 3731 172 1058 C 6 H 4 150 46.5 310.82 67.49 3.62E-04 20 9.61E-09 -1.14E-08 5.80E-08 03/01/97 Yes Yes 3731 172 1058 C 6 H 5 0 46.5 334.82 52.36 5.67E-04 20 3.33E-08 -1.60E-08 7.79E-08 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 5 46.55 306.98 67.07 7.08E-04 20 1.76E-08 -2.39E-08 1.13E-07 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 10 46.6 313.26 70.52 1.05E-03 20 2.54E-08 -2.76E-08 1.72E-07 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 15 46.65 329.23 65.47 1.99E-03 20 7.54E-08 -4.59E-08 3.14E-07 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 20 46.7 325.25 58.94 3.79E-03 20 1.70E-07 -1.21E-07 5.62E-07 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 25 46.75 328.48 64.46 4.89E-03 20 1.91E-07 -1.20E-07 7.65E-07 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 30 46.8 347.2 78.13 3.99E-03 20 8.49E-08 -1.97E-08 6.77E-07 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 35 46.85 337.63 66.93 3.51E-03 20 1.35E-07 -5.68E-08 5.60E-07 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 40 46.9 323.72 68.15 3.53E-03 20 1.12E-07 -8.43E-08 5.68E-07 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 45 46.95 334.97 71.11 2.89E-03 20 9.00E-08 -4.30E-08 4.75E-07 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 50 47 312.29 65.77 2.63E-03 20 7.71E-08 -8.67E-08 4.16E-07 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 55 47.05 355.45 59.14 2.46E-03 20 1.33E-07 -1.08E-08 3.65E-07 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 60 47.1 305.95 70.74 1.81E-03 20 3.71E-08 -5.24E-08 2.96E-07 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 65 47.15 315.49 74.88 1.01E-03 20 1.99E-08 -2.00E-08 1.69E-07 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 70 47.2 312.85 63.31 8.39E-04 20 2.72E-08 -3.00E-08 1.30E-07 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 75 47.25 293.48 45.06 1.09E-03 20 3.25E-08 -7.65E-08 1.34E-07 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 80 47.3 290.38 39.96 1.30E-03 20 3.68E-08 -1.01E-07 1.45E-07 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 85 47.35 286.03 42.44 1.23E-03 20 2.66E-08 -9.48E-08 1.44E-07 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 90 47.4 281.44 47.14 9.54E-04 20 1.37E-08 -6.90E-08 1.21E-07 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 95 47.45 302.79 53.41 6.30E-04 20 2.16E-08 -3.42E-08 8.77E-08 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 100 47.5 329.81 45.13 6.65E-04 20 4.30E-08 -2.56E-08 8.17E-08 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 105 47.55 102.14 57.64 6.27E-04 20 -7.48E-09 3.56E-08 9.17E-08 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 110 47.6 191.22 74.17 3.56E-04 20 -1.01E-08 -2.05E-09 5.94E-08 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 115 47.65 290.13 59.14 3.27E-04 20 6.13E-09 -1.71E-08 4.87E-08 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 120 47.7 287.08 54.05 2.61E-04 20 4.78E-09 -1.59E-08 3.67E-08 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 125 47.75 289 49.59 2.82E-04 20 6.30E-09 -1.87E-08 3.72E-08 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 130 47.8 287.69 50.24 2.44E-04 20 5.04E-09 -1.62E-08 3.26E-08 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 135 47.85 47.52 34.93 2.97E-04 20 1.74E-08 1.95E-08 2.95E-08 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 140 47.9 283.59 63.57 2.55E-04 20 2.83E-09 -1.20E-08 3.96E-08 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 145 47.95 253.77 36.08 3.12E-04 20 -7.48E-09 -2.63E-08 3.19E-08 03/01/97 Yes Yes 3733 172 1058 C 6 H 5 150 48 263.53 59.86 1.38E-04 20 -8.31E-10 -7.49E-09 2.08E-08 03/01/97 Yes Yes 3733 172 1058 C 6 H 6 0 48 313.07 49.36 4.14E-04 20 1.95E-08 -2.14E-08 5.45E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 5 48.05 196.68 79.9 3.45E-04 20 -6.14E-09 -1.88E-09 5.89E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 10 48.1 285.16 60.38 2.92E-04 20 4.01E-09 -1.51E-08 4.41E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 15 48.15 297.34 49.13 3.21E-04 20 1.02E-08 -2.02E-08 4.21E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 20 48.2 339.59 70.8 2.73E-04 20 8.93E-09 -3.40E-09 4.47E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 25 48.25 304.46 73.34 1.97E-04 20 3.39E-09 -5.05E-09 3.27E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 30 48.3 313.51 37.38 2.56E-04 20 1.49E-08 -1.60E-08 2.69E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 35 48.35 344.22 53.89 3.02E-04 20 1.81E-08 -5.24E-09 4.22E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 40 48.4 287.1 74.68 2.58E-04 20 2.13E-09 -7.07E-09 4.32E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 45 48.45 284.84 60.28 2.20E-04 20 2.96E-09 -1.14E-08 3.31E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 50 48.5 307.22 47.48 2.45E-04 20 1.06E-08 -1.43E-08 3.13E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 55 48.55 301.6 56.99 2.44E-04 20 7.40E-09 -1.23E-08 3.55E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 60 48.6 281.7 57.54 2.24E-04 20 2.58E-09 -1.28E-08 3.27E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 65 48.65 277.52 68.49 2.11E-04 20 1.07E-09 -8.31E-09 3.40E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 70 48.7 285.62 69.4 2.42E-04 20 2.43E-09 -8.89E-09 3.92E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 75 48.75 295.56 48.64 4.20E-04 20 1.27E-08 -2.71E-08 5.46E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 80 48.8 290.46 38.09 7.68E-04 20 2.24E-08 -6.15E-08 8.22E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 85 48.85 280.36 40.04 8.15E-04 20 1.19E-08 -6.66E-08 9.09E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 90 48.9 266.28 63.99 3.20E-04 20 -9.67E-10 -1.52E-08 4.99E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 95 48.95 5.57 76.12 1.44E-04 20 3.64E-09 3.64E-10 2.42E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 100 49 346.61 64.33 1.04E-04 20 4.65E-09 -1.13E-09 1.63E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 105 49.05 303.15 57.02 1.41E-04 20 4.45E-09 -6.97E-09 2.05E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 110 49.1 279.21 47.7 2.02E-04 20 2.30E-09 -1.45E-08 2.58E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 115 49.15 281.33 41.92 2.01E-04 20 3.12E-09 -1.59E-08 2.33E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 120 49.2 281.63 52.86 1.55E-04 20 2.00E-09 -9.96E-09 2.15E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 125 49.25 326.31 57.99 1.45E-04 20 6.77E-09 -4.61E-09 2.13E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 130 49.3 302.13 38.32 1.99E-04 20 8.83E-09 -1.44E-08 2.14E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 135 49.35 292 58.15 1.48E-04 20 3.11E-09 -7.86E-09 2.18E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 140 49.4 289.59 57.72 1.30E-04 20 2.47E-09 -7.10E-09 1.91E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 145 49.45 279.17 38.21 1.48E-04 20 1.97E-09 -1.25E-08 1.59E-08 03/01/97 Yes Yes 3735 172 1058 C 6 H 6 150 49.5 262.47 45.87 7.06E-05 20 -6.83E-10 -5.29E-09 8.79E-09 03/01/97 Yes Yes 3735 172 1058 C 6 H 7 0 49.5 329.44 29.89 9.50E-05 20 7.52E-09 -4.54E-09 8.21E-09 03/01/97 Yes Yes 3737 172 1058 C 6 H 7 5 49.55 311.67 44.99 1.16E-04 20 5.77E-09 -6.63E-09 1.42E-08 03/01/97 Yes Yes 3737 172 1058 C 6 H 7 10 49.6 306.25 63.34 1.24E-04 20 3.49E-09 -4.87E-09 1.92E-08 03/01/97 Yes Yes 3737 172 1058 C 6 H 7 15 49.65 297.05 68.43 9.69E-05 20 1.72E-09 -3.44E-09 1.56E-08 03/01/97 Yes Yes 3737 172 1058 C 6 H 7 20 49.7 299.49 35.67 1.18E-04 20 5.02E-09 -9.08E-09 1.20E-08 03/01/97 Yes Yes 3737 172 1058 C 6 H 7 25 49.75 277.97 28.03 2.02E-04 20 2.62E-09 -1.92E-08 1.65E-08 03/01/97 Yes Yes 3737 172 1058 C 6 H 7 30 49.8 290.98 36.92 1.83E-04 20 5.56E-09 -1.48E-08 1.91E-08 03/01/97 Yes Yes 3737 172 1058 C 6 H 7 35 49.85 346.97 6.03 6.78E-04 20 6.97E-08 -1.65E-08 1.24E-08 03/01/97 Yes Yes 3737 172 1058 C 6 H 7 40 49.9 351.46 12.77 3.32E-04 20 3.40E-08 -5.22E-09 1.27E-08 03/01/97 Yes Yes 3737 172 1058 C 6 H 7 45 49.95 270.79 47.32 1.72E-04 20 1.70E-10 -1.27E-08 2.20E-08 03/01/97 Yes Yes 3737 172 1058 C 6 H 7 50 50 275.56 68.7 2.02E-04 20 7.56E-10 -7.94E-09 3.27E-08 03/01/97 Yes Yes 3737 172 1058 C 6 H 7 55 50.05 233.78 84.67 1.85E-04 20 -1.07E-09 -1.50E-09 3.19E-08 03/01/97 Yes Yes 3737 172 1058 C 6 H 7 60 50.1 3.31 28.01 6.23E-04 20 5.82E-08 3.44E-09 5.07E-08 03/01/97 Yes Yes 3737 172 1058 C 6 H 7 65 50.15 350.36 69.81 8.38E-04 20 3.02E-08 -5.26E-09 1.36E-07 03/01/97 Yes Yes 3737 172 1058 C 6 H 7 70 50.2 191 41.88 5.48E-04 20 -4.25E-08 -8.45E-09 6.34E-08 03/01/97 Yes Yes 3737 172 1058 C 6 H 7 75 50.25 192.52 4.27 3.69E-04 20 -3.81E-08 -8.65E-09 4.77E-09 03/01/97 Yes Yes 3737 172 1058 C 6 H 7 80 50.3 286.5 3.47 3.22E-04 20 9.69E-09 -3.35E-08 3.38E-09 03/01/97 Yes Yes 3737 172 1058 C 7 H 1 0 50 274.51 22.62 1.43E-04 20 1.10E-09 -1.43E-08 9.55E-09 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 5 50.05 272.03 38.51 2.15E-04 20 6.30E-10 -1.82E-08 2.32E-08 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 10 50.1 165.43 68.97 1.99E-04 20 -7.33E-09 1.95E-09 3.22E-08 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 15 50.15 56.58 48.15 2.01E-04 20 7.85E-09 1.22E-08 2.60E-08 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 20 50.2 282.42 44.47 2.61E-04 20 4.24E-09 -1.97E-08 3.16E-08 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 25 50.25 223.18 61.26 4.36E-04 20 -1.62E-08 -1.55E-08 6.62E-08 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 30 50.3 139.75 76.02 2.83E-04 20 -5.53E-09 4.79E-09 4.76E-08 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 35 50.35 261.28 64.59 2.68E-04 20 -1.85E-09 -1.23E-08 4.20E-08 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 40 50.4 231.56 70.1 2.56E-04 20 -5.74E-09 -7.39E-09 4.17E-08 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 45 50.45 241.45 66.16 2.48E-04 20 -5.09E-09 -9.56E-09 3.94E-08 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 50 50.5 244.81 67.07 2.57E-04 20 -4.51E-09 -9.81E-09 4.10E-08 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 55 50.55 243.87 66.05 2.49E-04 20 -4.72E-09 -9.84E-09 3.95E-08 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 60 50.6 243.92 73.85 2.56E-04 20 -3.32E-09 -6.93E-09 4.26E-08 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 65 50.65 215.61 64.12 2.46E-04 20 -9.25E-09 -6.77E-09 3.83E-08 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 70 50.7 270.37 34.3 2.88E-04 20 1.64E-10 -2.58E-08 2.81E-08 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 75 50.75 299.61 37.75 1.99E-04 20 8.23E-09 -1.48E-08 2.11E-08 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 80 50.8 224.76 70.89 1.71E-04 20 -4.21E-09 -4.27E-09 2.80E-08 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 85 50.85 235.38 39.75 2.50E-04 20 -1.16E-08 -1.72E-08 2.77E-08 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 90 50.9 255.57 29.78 3.51E-04 20 -8.05E-09 -3.20E-08 3.02E-08 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 95 50.95 251.64 14.37 7.28E-04 20 -2.35E-08 -7.25E-08 3.13E-08 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 100 51 254.71 6.58 2.80E-03 20 -7.77E-08 -2.91E-07 5.56E-08 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 105 51.05 256.65 10.46 5.71E-03 20 -1.38E-07 -5.93E-07 1.80E-07 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 110 51.1 78.13 4.88 2.93E-02 20 6.36E-07 3.09E-06 4.31E-07 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 115 51.15 73.53 -22.79 3.32E-02 20 9.21E-07 3.18E-06 -2.23E-06 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 120 51.2 263.73 -19.42 1.00E-02 20 -1.10E-07 -1.02E-06 -5.78E-07 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 125 51.25 245.54 -6.96 2.43E-03 20 -1.06E-07 -2.39E-07 -5.11E-08 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 130 51.3 228.71 10.18 4.73E-04 20 -3.26E-08 -3.80E-08 1.45E-08 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 135 51.35 224.76 37.88 1.83E-04 20 -1.09E-08 -1.10E-08 1.95E-08 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 140 51.4 203.45 56.53 1.32E-04 20 -7.11E-09 -3.15E-09 1.91E-08 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 145 51.45 207.77 62.08 1.03E-04 20 -4.51E-09 -2.43E-09 1.57E-08 03/01/97 Yes Yes 3739 172 1058 C 7 H 1 150 51.5 214.61 36.59 7.95E-05 20 -5.57E-09 -3.93E-09 8.21E-09 03/01/97 Yes Yes 3739 172 1058 C 7 H 2 0 51.5 253.97 81.26 4.30E-05 20 -1.91E-10 -6.80E-10 7.36E-09 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 5 51.55 163.87 57.61 8.00E-05 20 -4.36E-09 1.29E-09 1.17E-08 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 10 51.6 233.17 81.88 7.59E-05 20 -6.81E-10 -9.30E-10 1.30E-08 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 15 51.65 265.46 58.17 8.59E-05 20 -3.80E-10 -4.90E-09 1.26E-08 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 20 51.7 250.03 56.88 7.16E-05 20 -1.42E-09 -3.99E-09 1.04E-08 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 25 51.75 249.09 70.63 6.40E-05 20 -8.03E-10 -2.15E-09 1.05E-08 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 30 51.8 258.49 62.56 7.27E-05 20 -7.09E-10 -3.56E-09 1.12E-08 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 35 51.85 223.11 56.27 6.45E-05 20 -2.77E-09 -2.65E-09 9.30E-09 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 40 51.9 177.49 65.51 4.07E-05 20 -1.79E-09 8.03E-11 6.42E-09 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 45 51.95 323.52 37.9 3.57E-05 20 2.40E-09 -1.82E-09 3.81E-09 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 50 52 302.78 54.67 5.20E-05 20 1.73E-09 -2.74E-09 7.35E-09 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 55 52.05 215.32 76.14 5.19E-05 20 -1.08E-09 -7.79E-10 8.73E-09 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 60 52.1 171.06 55.9 4.93E-05 20 -2.90E-09 4.66E-10 7.08E-09 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 65 52.15 185.79 79.27 5.78E-05 20 -1.13E-09 -1.18E-10 9.84E-09 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 70 52.2 285.76 78.79 9.74E-05 20 5.46E-10 -1.98E-09 1.66E-08 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 75 52.25 249.09 72.47 9.78E-05 20 -1.11E-09 -2.98E-09 1.62E-08 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 80 52.3 18.8 88.93 9.61E-05 20 1.80E-10 6.27E-11 1.67E-08 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 85 52.35 249.16 79.02 1.09E-04 20 -7.87E-10 -2.11E-09 1.86E-08 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 90 52.4 258.59 59.97 9.83E-05 20 -1.03E-09 -5.23E-09 1.47E-08 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 95 52.45 284.88 54.37 1.13E-04 20 1.79E-09 -6.89E-09 1.59E-08 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 100 52.5 79.11 60.75 1.45E-04 20 1.42E-09 7.56E-09 2.20E-08 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 105 52.55 99.88 70.96 1.19E-04 20 -7.09E-10 4.16E-09 1.96E-08 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 110 52.6 190.99 58.74 6.67E-05 20 -3.60E-09 -7.16E-10 9.88E-09 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 115 52.65 27.08 52.65 2.51E-05 20 1.44E-09 7.52E-10 3.46E-09 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 120 52.7 304.69 27.64 1.37E-04 20 7.31E-09 -1.08E-08 1.10E-08 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 125 52.75 303.1 50.07 1.47E-04 20 5.45E-09 -8.55E-09 1.95E-08 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 130 52.8 44.25 80.09 1.50E-04 20 1.96E-09 1.95E-09 2.56E-08 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 135 52.85 249.87 71.12 1.46E-04 20 -1.72E-09 -4.80E-09 2.39E-08 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 140 52.9 205.72 46.85 1.35E-04 20 -8.80E-09 -4.33E-09 1.70E-08 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 145 52.95 219.61 40.19 6.46E-05 20 -4.03E-09 -3.41E-09 7.23E-09 03/01/97 Yes Yes 3741 172 1058 C 7 H 2 150 53 258.84 34.37 8.00E-05 20 -1.35E-09 -7.03E-09 7.83E-09 03/01/97 Yes Yes 3741 172 1058 C 7 H 3 0 53 235.05 49.05 9.03E-05 20 -3.60E-09 -5.26E-09 1.18E-08 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 5 53.05 95.78 81.95 1.19E-04 20 -1.79E-10 1.81E-09 2.05E-08 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 10 53.1 243.15 69.87 1.25E-04 20 -2.07E-09 -4.17E-09 2.04E-08 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 15 53.15 260.76 38.33 1.45E-04 20 -1.94E-09 -1.22E-08 1.56E-08 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 20 53.2 164.76 78.79 1.25E-04 20 -2.50E-09 6.96E-10 2.13E-08 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 25 53.25 232.46 77.5 1.85E-04 20 -2.59E-09 -3.45E-09 3.14E-08 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 30 53.3 277.22 74.1 2.32E-04 20 8.48E-10 -6.85E-09 3.87E-08 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 35 53.35 212.67 76.17 2.45E-04 20 -5.23E-09 -3.43E-09 4.12E-08 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 40 53.4 229.91 60.45 3.50E-04 20 -1.18E-08 -1.43E-08 5.28E-08 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 45 53.45 210.59 66.78 5.04E-04 20 -1.81E-08 -1.10E-08 8.03E-08 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 50 53.5 230.89 57.17 8.40E-04 20 -3.05E-08 -3.83E-08 1.22E-07 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 55 53.55 221.85 50.13 1.48E-03 20 -7.48E-08 -6.86E-08 1.97E-07 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 60 53.6 208.37 46.67 1.18E-03 20 -7.56E-08 -4.18E-08 1.49E-07 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 65 53.65 207.99 59.3 4.40E-04 20 -2.10E-08 -1.14E-08 6.56E-08 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 70 53.7 141.76 68.75 1.78E-04 20 -5.36E-09 4.32E-09 2.87E-08 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 75 53.75 223.05 66.47 2.14E-04 20 -6.63E-09 -6.34E-09 3.41E-08 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 80 53.8 252.49 60.28 4.99E-04 20 -7.90E-09 -2.56E-08 7.51E-08 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 85 53.85 145.69 71.45 8.67E-04 20 -2.42E-08 1.69E-08 1.43E-07 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 90 53.9 208.37 76.53 9.47E-04 20 -2.06E-08 -1.14E-08 1.60E-07 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 95 53.95 316.86 46.2 2.68E-03 20 1.44E-07 -1.38E-07 3.35E-07 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 100 54 285.29 70.39 3.70E-03 20 3.47E-08 -1.30E-07 6.05E-07 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 105 54.05 184.95 75.39 3.00E-03 20 -8.00E-08 -7.08E-09 5.03E-07 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 110 54.1 261.29 68.97 2.56E-03 20 -1.48E-08 -9.85E-08 4.14E-07 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 115 54.15 268.27 73.7 2.27E-03 20 -2.04E-09 -6.91E-08 3.78E-07 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 120 54.2 219.39 73 3.27E-03 20 -7.84E-08 -6.58E-08 5.42E-07 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 125 54.25 231.24 62.84 5.75E-03 20 -1.74E-07 -2.22E-07 8.87E-07 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 130 54.3 235.58 66.26 8.79E-03 20 -2.12E-07 -3.17E-07 1.39E-06 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 135 54.35 234.71 74.23 1.01E-02 20 -1.68E-07 -2.42E-07 1.68E-06 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 140 54.4 205.13 74.04 1.14E-02 20 -3.01E-07 -1.44E-07 1.90E-06 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 145 54.45 233.89 70.77 1.48E-02 20 -3.05E-07 -4.28E-07 2.43E-06 03/01/97 Yes Yes 3743 172 1058 C 7 H 3 150 54.5 207.01 64.51 1.28E-02 20 -5.19E-07 -2.70E-07 2.00E-06 03/01/97 Yes Yes 3743 172 1058 C 7 H 4 0 54.5 296.95 76.23 1.23E-02 20 1.41E-07 -2.83E-07 2.07E-06 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 5 54.55 252.37 74.2 1.77E-02 20 -1.55E-07 -4.99E-07 2.95E-06 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 10 54.6 215.57 76.87 1.84E-02 20 -3.60E-07 -2.63E-07 3.10E-06 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 15 54.65 201.48 72.15 1.20E-02 20 -3.62E-07 -1.46E-07 1.97E-06 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 20 54.7 297.22 69.05 1.05E-02 20 1.81E-07 -3.61E-07 1.69E-06 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 25 54.75 275.04 74.76 1.22E-02 20 2.98E-08 -3.45E-07 2.03E-06 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 30 54.8 175.16 77.24 7.53E-03 20 -1.76E-07 1.52E-08 1.27E-06 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 35 54.85 316.77 80.03 5.08E-03 20 6.79E-08 -6.53E-08 8.67E-07 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 40 54.9 180.2 81.61 4.34E-03 20 -6.72E-08 -2.45E-10 7.45E-07 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 45 54.95 190.71 77.38 3.44E-03 20 -7.83E-08 -1.51E-08 5.82E-07 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 50 55 265.28 75.44 5.93E-03 20 -1.30E-08 -1.61E-07 9.96E-07 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 55 55.05 246.3 71.51 1.19E-02 20 -1.61E-07 -3.74E-07 1.95E-06 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 60 55.1 201.43 75.9 1.62E-02 20 -3.90E-07 -1.57E-07 2.73E-06 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 65 55.15 220.16 70.39 1.69E-02 20 -4.59E-07 -3.96E-07 2.76E-06 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 70 55.2 225.06 69.12 1.57E-02 20 -4.20E-07 -4.31E-07 2.55E-06 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 75 55.25 157.57 75.89 1.27E-02 20 -3.04E-07 1.28E-07 2.14E-06 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 80 55.3 238.97 73.76 9.39E-03 20 -1.44E-07 -2.44E-07 1.56E-06 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 85 55.35 227.37 71.64 7.51E-03 20 -1.70E-07 -1.89E-07 1.24E-06 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 90 55.4 175.67 66.92 4.85E-03 20 -2.01E-07 1.56E-08 7.74E-07 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 95 55.45 181.2 71.09 3.99E-03 20 -1.37E-07 -2.93E-09 6.54E-07 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 100 55.5 203.08 71.36 6.08E-03 20 -1.90E-07 -8.27E-08 9.99E-07 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 105 55.55 218.26 58.01 1.11E-02 20 -4.91E-07 -3.96E-07 1.64E-06 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 110 55.6 203.72 56.88 1.36E-02 20 -7.20E-07 -3.24E-07 1.97E-06 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 115 55.65 176.42 67.83 1.22E-02 20 -4.87E-07 3.11E-08 1.96E-06 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 120 55.7 196.04 62.3 1.83E-02 20 -8.68E-07 -2.55E-07 2.81E-06 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 125 55.75 194.4 46.99 3.29E-02 20 -2.30E-06 -6.05E-07 4.17E-06 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 130 55.8 191.93 48.13 1.85E-02 20 -1.28E-06 -2.77E-07 2.39E-06 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 135 55.85 200.82 73.99 7.32E-03 20 -2.00E-07 -7.79E-08 1.22E-06 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 140 55.9 201.72 63.44 6.78E-03 20 -2.99E-07 -1.22E-07 1.05E-06 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 145 55.95 197.63 56.03 6.36E-03 20 -3.59E-07 -1.17E-07 9.14E-07 03/01/97 Yes Yes 3745 172 1058 C 7 H 4 150 56 195.1 55.08 3.09E-03 20 -1.81E-07 -4.99E-08 4.39E-07 03/01/97 Yes Yes 3745 172 1058 C 7 H 5 0 56 239.73 81.97 3.51E-03 20 -2.62E-08 -4.59E-08 6.02E-07 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 5 56.05 205.72 59.22 8.31E-03 20 -4.06E-07 -2.00E-07 1.24E-06 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 10 56.1 199.17 51.06 1.22E-02 20 -7.70E-07 -2.74E-07 1.65E-06 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 15 56.15 199.44 51.27 1.11E-02 20 -6.94E-07 -2.50E-07 1.50E-06 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 20 56.2 204.19 52.39 9.22E-03 20 -5.44E-07 -2.50E-07 1.27E-06 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 25 56.25 210.03 55.63 6.37E-03 20 -3.30E-07 -1.95E-07 9.12E-07 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 30 56.3 198.79 63.14 3.23E-03 20 -1.47E-07 -5.10E-08 5.00E-07 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 35 56.35 204.83 74.95 1.46E-03 20 -3.65E-08 -1.73E-08 2.45E-07 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 40 56.4 127.31 79.17 5.92E-04 20 -7.16E-09 9.60E-09 1.01E-07 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 45 56.45 55.09 61.95 3.48E-04 20 9.94E-09 1.46E-08 5.33E-08 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 50 56.5 264.13 69.91 3.61E-04 20 -1.35E-09 -1.34E-08 5.88E-08 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 55 56.55 223.11 58.53 4.10E-04 20 -1.66E-08 -1.59E-08 6.06E-08 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 60 56.6 135.62 72.75 2.86E-04 20 -6.42E-09 6.43E-09 4.73E-08 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 65 56.65 55.96 39.64 4.00E-04 20 1.83E-08 2.77E-08 4.42E-08 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 70 56.7 304.35 54.26 3.82E-04 20 1.34E-08 -2.00E-08 5.38E-08 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 75 56.75 269.25 73.94 3.27E-04 20 -1.25E-10 -9.81E-09 5.45E-08 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 80 56.8 210.6 65.69 3.78E-04 20 -1.42E-08 -8.59E-09 5.97E-08 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 85 56.85 215.86 46.7 3.72E-04 20 -2.19E-08 -1.62E-08 4.70E-08 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 90 56.9 156.99 66.82 3.43E-04 20 -1.32E-08 5.72E-09 5.46E-08 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 95 56.95 128.28 60.9 3.85E-04 20 -1.23E-08 1.60E-08 5.84E-08 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 100 57 55.78 70.26 3.49E-04 20 7.03E-09 1.06E-08 5.69E-08 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 105 57.05 292.16 48.64 6.50E-04 20 1.72E-08 -4.32E-08 8.46E-08 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 110 57.1 229.22 77.2 6.18E-04 20 -9.48E-09 -1.12E-08 1.04E-07 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 115 57.15 87.84 39.56 6.64E-04 20 2.05E-09 5.55E-08 7.33E-08 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 120 57.2 61.84 62.94 3.97E-04 20 9.05E-09 1.73E-08 6.13E-08 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 125 57.25 267.32 57.81 6.40E-04 20 -1.69E-09 -3.70E-08 9.39E-08 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 130 57.3 182.11 64.51 9.21E-04 20 -4.20E-08 -1.59E-09 1.44E-07 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 135 57.35 181.97 54.79 1.17E-03 20 -7.16E-08 -2.51E-09 1.66E-07 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 140 57.4 188.52 62.54 1.22E-03 20 -5.88E-08 -9.00E-09 1.87E-07 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 145 57.45 198.62 54.09 1.29E-03 20 -7.59E-08 -2.61E-08 1.81E-07 03/01/97 Yes Yes 3747 172 1058 C 7 H 5 150 57.5 191.23 54.46 7.25E-04 20 -4.39E-08 -8.90E-09 1.02E-07 03/01/97 Yes Yes 3747 172 1058 C 7 H 6 0 57.5 219.61 70.5 4.15E-04 20 -1.13E-08 -9.58E-09 6.78E-08 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 5 57.55 201.68 61.3 7.24E-04 20 -3.43E-08 -1.39E-08 1.10E-07 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 10 57.6 176.68 62.29 7.44E-04 20 -3.66E-08 2.17E-09 1.14E-07 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 15 57.65 176.95 60.32 7.90E-04 20 -4.14E-08 2.26E-09 1.19E-07 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 20 57.7 168.91 56.55 6.38E-04 20 -3.66E-08 7.34E-09 9.23E-08 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 25 57.75 237.31 81.58 3.82E-04 20 -3.21E-09 -5.11E-09 6.55E-08 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 30 57.8 79.21 76.97 3.30E-04 20 1.48E-09 7.93E-09 5.57E-08 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 35 57.85 98.7 76.47 3.02E-04 20 -1.13E-09 7.57E-09 5.09E-08 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 40 57.9 194.54 74.74 2.75E-04 20 -7.44E-09 -1.97E-09 4.61E-08 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 45 57.95 212.73 87.3 3.38E-04 20 -1.42E-09 -9.34E-10 5.85E-08 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 50 58 41.48 82.38 1.88E-04 20 1.98E-09 1.79E-09 3.22E-08 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 55 58.05 187.11 76.27 1.64E-04 20 -4.10E-09 -5.23E-10 2.76E-08 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 60 58.1 262.16 56.69 1.77E-04 20 -1.41E-09 -1.05E-08 2.57E-08 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 65 58.15 213.31 77.97 9.46E-05 20 -1.75E-09 -1.17E-09 1.60E-08 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 70 58.2 145.91 52.97 1.12E-04 20 -5.92E-09 4.10E-09 1.55E-08 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 75 58.25 234.62 52.66 1.00E-04 20 -3.73E-09 -5.37E-09 1.38E-08 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 80 58.3 259.51 75.68 1.53E-04 20 -7.33E-10 -4.05E-09 2.58E-08 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 85 58.35 169.12 53.63 2.48E-04 20 -1.53E-08 3.01E-09 3.46E-08 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 90 58.4 148.4 46.05 2.00E-04 20 -1.25E-08 7.88E-09 2.49E-08 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 95 58.45 198.03 51.81 1.95E-04 20 -1.21E-08 -4.04E-09 2.65E-08 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 100 58.5 224.7 57.69 1.76E-04 20 -7.11E-09 -7.19E-09 2.59E-08 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 105 58.55 22.91 80.78 1.50E-04 20 2.34E-09 1.01E-09 2.56E-08 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 110 58.6 166.79 56.55 2.01E-04 20 -1.14E-08 2.75E-09 2.91E-08 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 115 58.65 195.09 45.44 2.07E-04 20 -1.49E-08 -4.11E-09 2.56E-08 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 120 58.7 190.21 73.54 1.90E-04 20 -5.63E-09 -1.04E-09 3.16E-08 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 125 58.75 130.48 77.11 2.20E-04 20 -3.39E-09 4.06E-09 3.72E-08 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 130 58.8 172.99 72 1.80E-04 20 -5.85E-09 7.36E-10 2.97E-08 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 135 58.85 194.66 54.82 1.86E-04 20 -1.10E-08 -2.94E-09 2.64E-08 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 140 58.9 204.22 65.83 2.08E-04 20 -8.26E-09 -3.80E-09 3.30E-08 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 145 58.95 200.43 55.56 2.28E-04 20 -1.28E-08 -4.87E-09 3.25E-08 03/01/97 Yes Yes 3749 172 1058 C 7 H 6 150 59 166.07 43.55 1.69E-04 20 -1.26E-08 3.19E-09 2.01E-08 03/01/97 Yes Yes 3749 172 1058 C 7 H 7 0 59 209.68 62.77 1.92E-04 20 -8.09E-09 -4.72E-09 2.96E-08 03/01/97 Yes Yes 3751 172 1058 C 7 H 7 5 59.05 169.59 57.21 2.31E-04 20 -1.30E-08 2.45E-09 3.36E-08 03/01/97 Yes Yes 3751 172 1058 C 7 H 7 10 59.1 191.41 60.87 2.29E-04 20 -1.16E-08 -2.39E-09 3.47E-08 03/01/97 Yes Yes 3751 172 1058 C 7 H 7 15 59.15 167.57 63.28 2.09E-04 20 -9.73E-09 2.19E-09 3.24E-08 03/01/97 Yes Yes 3751 172 1058 C 7 H 7 20 59.2 207.41 66.25 2.15E-04 20 -8.15E-09 -4.32E-09 3.41E-08 03/01/97 Yes Yes 3751 172 1058 C 7 H 7 25 59.25 189.19 56.67 2.58E-04 20 -1.49E-08 -2.46E-09 3.74E-08 03/01/97 Yes Yes 3751 172 1058 C 7 H 7 30 59.3 176.96 51.73 2.11E-04 20 -1.38E-08 7.51E-10 2.87E-08 03/01/97 Yes Yes 3751 172 1058 C 7 H 7 35 59.35 180.02 54 1.73E-04 20 -1.08E-08 -3.07E-12 2.43E-08 03/01/97 Yes Yes 3751 172 1058 C 7 H 7 40 59.4 189.57 74.59 1.43E-04 20 -3.99E-09 -6.88E-10 2.40E-08 03/01/97 Yes Yes 3751 172 1058 C 7 H 7 45 59.45 176.04 74.49 1.77E-04 20 -5.02E-09 3.55E-10 2.96E-08 03/01/97 Yes Yes 3751 172 1058 C 7 H 7 50 59.5 206.38 65.78 2.19E-04 20 -8.55E-09 -4.33E-09 3.47E-08 03/01/97 Yes Yes 3751 172 1058 C 7 H 7 55 59.55 296.06 45.03 3.64E-04 20 1.20E-08 -2.51E-08 4.47E-08 03/01/97 Yes Yes 3751 172 1058 C 7 H 7 60 59.6 267.21 78.84 4.20E-04 20 -4.21E-10 -8.81E-09 7.15E-08 03/01/97 Yes Yes 3751 172 1058 C 7 H 7 65 59.65 153.65 44.24 3.47E-04 20 -2.36E-08 1.20E-08 4.20E-08 03/01/97 Yes Yes 3751 172 1058 C 7 H 7 70 59.7 175.51 54.7 1.90E-04 20 -1.16E-08 9.33E-10 2.69E-08 03/01/97 Yes Yes 3751 172 1058 C 7 H 7 75 59.75 153.64 41.01 1.80E-04 20 -1.29E-08 6.52E-09 2.04E-08 03/01/97 Yes Yes 3751 172 1058 C 8 H 1 0 59.5 32.56 86.74 1.42E-04 20 7.22E-10 4.72E-10 2.46E-08 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 5 59.55 242.91 46.85 2.44E-04 20 -8.06E-09 -1.61E-08 3.08E-08 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 10 59.6 262.37 55.25 2.38E-04 20 -1.91E-09 -1.46E-08 3.38E-08 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 15 59.65 111.55 25.82 2.59E-04 20 -9.10E-09 2.36E-08 1.96E-08 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 20 59.7 67.26 2.49 5.27E-04 20 2.16E-08 5.26E-08 3.96E-09 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 25 59.75 313.48 39.77 2.41E-04 20 1.35E-08 -1.46E-08 2.68E-08 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 30 59.8 246.52 43.18 1.96E-04 20 -6.03E-09 -1.42E-08 2.32E-08 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 35 59.85 152.18 49.26 5.78E-05 20 -3.54E-09 1.91E-09 7.59E-09 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 40 59.9 142.67 85.73 8.10E-05 20 -5.09E-10 3.97E-10 1.40E-08 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 45 59.95 254.36 79.13 1.39E-04 20 -7.49E-10 -2.73E-09 2.36E-08 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 50 60 267.66 76.65 1.83E-04 20 -1.83E-10 -4.58E-09 3.09E-08 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 55 60.05 283.43 71.44 2.09E-04 20 1.64E-09 -7.01E-09 3.43E-08 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 60 60.1 264.26 56.47 2.33E-04 20 -1.36E-09 -1.39E-08 3.36E-08 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 65 60.15 246.08 43.13 2.36E-04 20 -7.40E-09 -1.71E-08 2.79E-08 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 70 60.2 181.41 30.65 2.77E-04 20 -2.52E-08 -6.37E-10 2.45E-08 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 75 60.25 230.16 5.19 8.55E-05 20 -5.78E-09 -7.09E-09 1.34E-09 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 80 60.3 286.51 35.48 1.24E-04 20 3.04E-09 -1.05E-08 1.25E-08 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 85 60.35 254.35 55.35 1.24E-04 20 -2.02E-09 -7.37E-09 1.77E-08 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 90 60.4 210.33 34.63 1.66E-04 20 -1.25E-08 -7.49E-09 1.64E-08 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 95 60.45 202.91 35.71 1.69E-04 20 -1.34E-08 -5.79E-09 1.71E-08 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 100 60.5 295.44 59.91 1.70E-04 20 3.89E-09 -8.36E-09 2.55E-08 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 105 60.55 29.13 40.83 3.56E-04 20 2.49E-08 1.42E-08 4.03E-08 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 110 60.6 51.61 80.74 2.35E-04 20 2.49E-09 3.21E-09 4.02E-08 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 115 60.65 205 61.21 2.00E-04 20 -9.28E-09 -4.43E-09 3.05E-08 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 120 60.7 218.88 42.84 1.50E-04 20 -9.08E-09 -7.49E-09 1.77E-08 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 125 60.75 142.02 49.36 9.15E-05 20 -4.98E-09 3.98E-09 1.20E-08 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 130 60.8 19 31.55 1.83E-04 20 1.57E-08 5.51E-09 1.66E-08 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 135 60.85 29.13 80.73 3.41E-04 20 5.10E-09 2.90E-09 5.84E-08 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 140 60.9 218.47 51.89 7.06E-04 20 -3.62E-08 -2.94E-08 9.63E-08 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 145 60.95 251.13 43.93 4.91E-04 20 -1.21E-08 -3.63E-08 5.90E-08 03/01/97 Yes Yes 3753 172 1058 C 8 H 1 150 61 237.59 72.54 1.90E-04 20 -3.24E-09 -5.22E-09 3.14E-08 03/01/97 Yes Yes 3753 172 1058 C 8 H 2 0 61 177.45 38.54 5.15E-05 20 -4.27E-09 1.94E-10 5.56E-09 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 5 61.05 252.57 32.95 1.76E-04 20 -4.69E-09 -1.53E-08 1.66E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 10 61.1 232.52 51.25 1.96E-04 20 -7.94E-09 -1.06E-08 2.66E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 15 61.15 236.76 68.51 1.51E-04 20 -3.22E-09 -5.03E-09 2.44E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 20 61.2 269.06 58.3 2.32E-04 20 -2.13E-10 -1.32E-08 3.42E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 25 61.25 232.39 49.4 2.32E-04 20 -9.77E-09 -1.30E-08 3.05E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 30 61.3 207.76 56.2 1.95E-04 20 -1.02E-08 -5.47E-09 2.80E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 35 61.35 222.75 42.76 2.34E-04 20 -1.34E-08 -1.26E-08 2.75E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 40 61.4 241.31 51.97 1.84E-04 20 -5.77E-09 -1.08E-08 2.51E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 45 61.45 249.87 41.9 2.11E-04 20 -5.72E-09 -1.60E-08 2.44E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 50 61.5 237.51 36.74 2.58E-04 20 -1.18E-08 -1.89E-08 2.68E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 55 61.55 253.81 41.84 2.87E-04 20 -6.32E-09 -2.23E-08 3.32E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 60 61.6 265.3 64.15 2.58E-04 20 -9.78E-10 -1.22E-08 4.03E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 65 61.65 247.57 63.3 3.90E-04 20 -7.08E-09 -1.75E-08 6.03E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 70 61.7 199.22 64.67 4.21E-04 20 -1.80E-08 -6.43E-09 6.59E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 75 61.75 271.16 64.99 3.03E-04 20 2.75E-10 -1.39E-08 4.76E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 80 61.8 247.54 63.39 3.48E-04 20 -6.31E-09 -1.56E-08 5.39E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 85 61.85 225.66 62.16 3.48E-04 20 -1.20E-08 -1.26E-08 5.33E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 90 61.9 244.93 76.3 3.31E-04 20 -3.52E-09 -7.70E-09 5.58E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 95 61.95 232.13 74.44 3.14E-04 20 -5.48E-09 -7.20E-09 5.24E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 100 62 227.38 55.77 2.96E-04 20 -1.20E-08 -1.33E-08 4.25E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 105 62.05 249.16 54.76 2.52E-04 20 -5.48E-09 -1.47E-08 3.56E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 110 62.1 226.62 55.79 2.68E-04 20 -1.10E-08 -1.19E-08 3.84E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 115 62.15 234.83 45.56 2.87E-04 20 -1.23E-08 -1.78E-08 3.56E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 120 62.2 232.71 46.46 3.51E-04 20 -1.55E-08 -2.08E-08 4.41E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 125 62.25 235.17 50.03 3.71E-04 20 -1.44E-08 -2.12E-08 4.93E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 130 62.3 219.14 69.58 3.33E-04 20 -9.57E-09 -7.96E-09 5.41E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 135 62.35 231.89 62.02 3.28E-04 20 -1.01E-08 -1.31E-08 5.02E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 140 62.4 242.92 53.17 2.94E-04 20 -8.52E-09 -1.70E-08 4.09E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 145 62.45 242.69 45.13 2.47E-04 20 -8.49E-09 -1.68E-08 3.04E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 2 150 62.5 217.54 47.53 1.23E-04 20 -7.01E-09 -5.51E-09 1.58E-08 03/01/97 Yes Yes 3755 172 1058 C 8 H 3 0 62.5 246.44 64.42 1.60E-04 20 -2.93E-09 -6.88E-09 2.51E-08 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 5 62.55 242.41 61.97 2.63E-04 20 -6.08E-09 -1.19E-08 4.03E-08 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 10 62.6 230.47 46.17 2.85E-04 20 -1.33E-08 -1.65E-08 3.57E-08 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 15 62.65 233.87 59.99 2.25E-04 20 -7.02E-09 -9.84E-09 3.37E-08 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 20 62.7 222.41 53.53 1.98E-04 20 -9.24E-09 -8.63E-09 2.77E-08 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 25 62.75 221.19 36.33 1.46E-04 20 -9.40E-09 -8.41E-09 1.50E-08 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 30 62.8 250.19 67.27 1.69E-04 20 -2.34E-09 -6.65E-09 2.70E-08 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 35 62.85 236.2 59.19 2.04E-04 20 -6.16E-09 -9.41E-09 3.03E-08 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 40 62.9 240.69 57.8 1.74E-04 20 -4.82E-09 -8.78E-09 2.56E-08 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 45 62.95 270.59 59.1 1.83E-04 20 1.03E-10 -1.02E-08 2.72E-08 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 50 63 209.43 48.72 1.74E-04 20 -1.06E-08 -6.12E-09 2.27E-08 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 55 63.05 233.95 31.32 1.86E-04 20 -9.89E-09 -1.39E-08 1.67E-08 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 60 63.1 31.09 50.51 1.94E-04 20 1.12E-08 6.90E-09 2.59E-08 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 65 63.15 96.7 56 2.01E-04 20 -1.39E-09 1.21E-08 2.88E-08 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 70 63.2 287 31.62 1.47E-04 20 3.88E-09 -1.30E-08 1.34E-08 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 75 63.25 270.17 27.53 2.47E-04 20 7.03E-11 -2.38E-08 1.98E-08 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 80 63.3 228.02 80.47 1.60E-04 20 -1.88E-09 -2.13E-09 2.73E-08 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 85 63.35 226.31 51.11 2.44E-04 20 -1.12E-08 -1.20E-08 3.29E-08 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 90 63.4 242.23 32.39 1.83E-04 20 -7.63E-09 -1.48E-08 1.70E-08 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 95 63.45 229.59 28.78 1.60E-04 20 -9.61E-09 -1.15E-08 1.33E-08 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 100 63.5 234.19 4.81 2.16E-04 20 -1.34E-08 -1.90E-08 3.15E-09 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 105 63.55 339.89 21.4 1.72E-04 20 1.59E-08 -5.96E-09 1.09E-08 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 110 63.6 204.51 46.17 2.06E-04 20 -1.37E-08 -6.41E-09 2.57E-08 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 115 63.65 162.5 40.11 1.19E-04 20 -9.23E-09 2.97E-09 1.33E-08 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 120 63.7 167.43 51.18 1.23E-04 20 -8.00E-09 1.83E-09 1.67E-08 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 125 63.75 201.92 16.79 2.44E-04 20 -2.29E-08 -9.44E-09 1.22E-08 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 130 63.8 195.03 7.27 1.65E-04 20 -1.68E-08 -4.61E-09 3.62E-09 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 135 63.85 150.15 36.58 1.39E-04 20 -1.02E-08 6.01E-09 1.43E-08 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 140 63.9 202.84 27.75 1.47E-04 20 -1.27E-08 -5.47E-09 1.19E-08 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 145 63.95 184.75 33.5 1.19E-04 20 -1.05E-08 -8.91E-10 1.14E-08 03/01/97 Yes Yes 3757 172 1058 C 8 H 3 150 64 91.07 14.45 1.75E-04 20 -3.36E-10 1.84E-08 7.56E-09 03/01/97 Yes Yes 3757 172 1058 C 8 H 4 0 64 236.1 29.08 1.64E-04 20 -8.46E-09 -1.29E-08 1.38E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 5 64.05 285.08 37.72 2.56E-04 20 5.58E-09 -2.12E-08 2.71E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 10 64.1 264.4 36.74 2.73E-04 20 -2.27E-09 -2.37E-08 2.84E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 15 64.15 246.79 59.18 1.72E-04 20 -3.68E-09 -8.78E-09 2.56E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 20 64.2 206.32 71.36 1.35E-04 20 -4.11E-09 -2.08E-09 2.22E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 25 64.25 237.87 58.45 1.97E-04 20 -5.80E-09 -9.44E-09 2.90E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 30 64.3 236.16 36.86 3.34E-04 20 -1.58E-08 -2.40E-08 3.47E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 35 64.35 277.91 57.44 2.66E-04 20 2.09E-09 -1.54E-08 3.89E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 40 64.4 279.55 64.06 2.44E-04 20 1.88E-09 -1.14E-08 3.80E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 45 64.45 224.79 62.09 1.79E-04 20 -6.31E-09 -6.41E-09 2.74E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 50 64.5 208.07 68.56 1.36E-04 20 -4.66E-09 -2.54E-09 2.20E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 55 64.55 236.74 76.25 1.15E-04 20 -1.59E-09 -2.48E-09 1.94E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 60 64.6 229.73 64.69 1.06E-04 20 -3.10E-09 -3.74E-09 1.66E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 65 64.65 215.88 78.34 8.43E-05 20 -1.46E-09 -1.08E-09 1.43E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 70 64.7 235.42 67.11 6.95E-05 20 -1.63E-09 -2.42E-09 1.11E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 75 64.75 190.39 61.81 1.01E-04 20 -4.96E-09 -9.31E-10 1.54E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 80 64.8 226.98 50.61 1.31E-04 20 -6.03E-09 -6.61E-09 1.76E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 85 64.85 228.25 62.94 1.32E-04 20 -4.23E-09 -4.85E-09 2.03E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 90 64.9 214.83 56.1 1.48E-04 20 -7.20E-09 -5.12E-09 2.13E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 95 64.95 226.71 53.4 1.05E-04 20 -4.54E-09 -4.92E-09 1.46E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 100 65 227.75 59.66 1.06E-04 20 -3.83E-09 -4.31E-09 1.59E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 105 65.05 241.37 63.99 1.25E-04 20 -2.78E-09 -5.20E-09 1.94E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 110 65.1 265.11 65.67 1.56E-04 20 -5.82E-10 -6.95E-09 2.47E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 115 65.15 268.08 61.99 1.38E-04 20 -2.30E-10 -7.03E-09 2.11E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 120 65.2 281.72 76.27 1.45E-04 20 7.38E-10 -3.64E-09 2.43E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 125 65.25 195.84 68.79 1.40E-04 20 -5.18E-09 -1.50E-09 2.27E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 130 65.3 206.98 67.68 1.09E-04 20 -3.90E-09 -2.03E-09 1.74E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 135 65.35 244.13 69.18 9.41E-05 20 -1.55E-09 -3.26E-09 1.52E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 140 65.4 190.33 70.25 1.07E-04 20 -3.79E-09 -7.06E-10 1.75E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 145 65.45 232.2 48.7 1.55E-04 20 -6.64E-09 -8.75E-09 2.01E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 4 150 65.5 194.54 60.99 8.27E-05 20 -4.12E-09 -1.09E-09 1.25E-08 03/01/97 Yes Yes 3759 172 1058 C 8 H 5 0 65.5 284.19 54.17 1.01E-04 20 1.54E-09 -6.25E-09 1.43E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 5 65.55 233.01 54.12 2.11E-04 20 -7.91E-09 -1.07E-08 2.97E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 10 65.6 180.78 63.02 1.73E-04 20 -8.32E-09 -1.15E-10 2.67E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 15 65.65 246.64 48.04 1.20E-04 20 -3.38E-09 -8.01E-09 1.55E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 20 65.7 238.2 34.75 1.71E-04 20 -7.84E-09 -1.29E-08 1.69E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 25 65.75 166.69 46.08 1.16E-04 20 -8.32E-09 2.01E-09 1.45E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 30 65.8 254.68 39.18 1.68E-04 20 -3.65E-09 -1.36E-08 1.84E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 35 65.85 230.6 47.69 1.95E-04 20 -8.83E-09 -1.10E-08 2.50E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 40 65.9 231.12 61.75 1.42E-04 20 -4.48E-09 -5.68E-09 2.17E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 45 65.95 202.35 67.18 1.36E-04 20 -5.19E-09 -2.18E-09 2.18E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 50 66 156.89 72.85 1.43E-04 20 -4.13E-09 1.80E-09 2.38E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 55 66.05 194.4 59.56 1.70E-04 20 -8.85E-09 -2.32E-09 2.54E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 60 66.1 224.58 56.3 1.39E-04 20 -5.84E-09 -5.89E-09 2.01E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 65 66.15 241.06 53.8 1.36E-04 20 -4.12E-09 -7.61E-09 1.90E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 70 66.2 217.98 64.95 1.24E-04 20 -4.39E-09 -3.51E-09 1.95E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 75 66.25 229.81 56.6 1.32E-04 20 -4.96E-09 -6.00E-09 1.90E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 80 66.3 231.93 55.3 1.38E-04 20 -5.14E-09 -6.72E-09 1.97E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 85 66.35 232.68 59.07 1.29E-04 20 -4.27E-09 -5.72E-09 1.92E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 90 66.4 231.83 63.79 1.19E-04 20 -3.46E-09 -4.50E-09 1.86E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 95 66.45 249.71 58.77 1.40E-04 20 -2.67E-09 -7.38E-09 2.07E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 100 66.5 216.59 66.67 1.54E-04 20 -5.18E-09 -3.93E-09 2.45E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 105 66.55 205.02 60.12 1.51E-04 20 -7.24E-09 -3.45E-09 2.27E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 110 66.6 231.12 52.42 1.53E-04 20 -6.21E-09 -7.87E-09 2.10E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 115 66.65 251.82 53.12 1.41E-04 20 -2.79E-09 -8.70E-09 1.95E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 120 66.7 240.69 56.78 1.53E-04 20 -4.35E-09 -7.93E-09 2.22E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 125 66.75 214.86 67.02 1.47E-04 20 -4.98E-09 -3.55E-09 2.34E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 130 66.8 218.09 62.28 1.34E-04 20 -5.22E-09 -4.19E-09 2.06E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 135 66.85 233.64 55.46 1.42E-04 20 -5.05E-09 -7.01E-09 2.02E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 140 66.9 237.25 59.4 1.39E-04 20 -4.06E-09 -6.46E-09 2.08E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 145 66.95 261.31 56.07 1.38E-04 20 -1.23E-09 -8.25E-09 1.98E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 5 150 67 244.51 59.52 8.18E-05 20 -1.89E-09 -4.06E-09 1.22E-08 03/01/97 Yes Yes 3761 172 1058 C 8 H 6 0 67 250.42 58.88 8.90E-05 20 -1.63E-09 -4.70E-09 1.32E-08 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 5 67.05 229.07 50.87 1.48E-04 20 -6.48E-09 -7.64E-09 1.99E-08 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 10 67.1 228.29 56.67 1.34E-04 20 -5.20E-09 -5.96E-09 1.94E-08 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 15 67.15 231.74 53.19 1.39E-04 20 -5.48E-09 -7.11E-09 1.93E-08 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 20 67.2 223.58 56.98 1.23E-04 20 -5.17E-09 -5.03E-09 1.79E-08 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 25 67.25 237.45 63.02 1.12E-04 20 -2.89E-09 -4.64E-09 1.73E-08 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 30 67.3 228.91 53.34 1.25E-04 20 -5.21E-09 -6.11E-09 1.74E-08 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 35 67.35 199.61 50.27 9.74E-05 20 -6.22E-09 -2.27E-09 1.30E-08 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 40 67.4 293.38 53.73 8.77E-05 20 2.18E-09 -5.16E-09 1.23E-08 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 45 67.45 272.07 60.41 8.87E-05 20 1.68E-10 -4.75E-09 1.34E-08 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 50 67.5 106.45 1.2 1.52E-04 20 -4.55E-09 1.58E-08 5.52E-10 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 55 67.55 309.37 -11.51 1.19E-04 20 7.85E-09 -9.79E-09 -4.12E-09 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 60 67.6 196.44 66.32 1.18E-04 20 -4.82E-09 -1.45E-09 1.87E-08 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 65 67.65 350.62 29.31 3.48E-04 20 3.18E-08 -5.37E-09 2.96E-08 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 70 67.7 16.11 72.81 2.37E-04 20 7.15E-09 2.11E-09 3.93E-08 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 75 67.75 106.93 31.28 7.56E-05 20 -1.99E-09 6.70E-09 6.80E-09 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 80 67.8 307.03 41.82 6.19E-05 20 2.95E-09 -4.00E-09 7.16E-09 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 85 67.85 240.93 58.09 8.28E-05 20 -2.26E-09 -4.15E-09 1.22E-08 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 90 67.9 197.34 65.32 6.65E-05 20 -2.81E-09 -8.98E-10 1.05E-08 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 95 67.95 216.81 57.41 5.25E-05 20 -2.40E-09 -1.84E-09 7.67E-09 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 100 68 249.73 66.45 4.42E-05 20 -6.50E-10 -1.80E-09 7.03E-09 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 105 68.05 287.25 67.39 7.10E-05 20 8.59E-10 -2.83E-09 1.14E-08 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 110 68.1 268.93 65.48 9.13E-05 20 -7.50E-11 -4.11E-09 1.44E-08 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 115 68.15 278.23 46.88 1.42E-04 20 1.48E-09 -1.04E-08 1.80E-08 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 120 68.2 210.65 67.58 1.27E-04 20 -4.41E-09 -2.67E-09 2.03E-08 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 125 68.25 134.18 70.43 9.04E-05 20 -2.24E-09 2.36E-09 1.48E-08 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 130 68.3 304.96 67.01 8.13E-05 20 1.93E-09 -2.82E-09 1.30E-08 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 135 68.35 286.36 55.1 9.54E-05 20 1.63E-09 -5.68E-09 1.36E-08 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 140 68.4 251.69 58.35 1.05E-04 20 -1.83E-09 -5.65E-09 1.54E-08 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 145 68.45 232.08 61.78 8.57E-05 20 -2.64E-09 -3.47E-09 1.31E-08 03/01/97 Yes Yes 3763 172 1058 C 8 H 6 150 68.5 233.58 56.03 4.92E-05 20 -1.73E-09 -2.40E-09 7.07E-09 03/01/97 Yes Yes 3763 172 1058 C 8 H 7 0 68.5 280.04 44.78 7.26E-05 20 9.53E-10 -5.51E-09 8.87E-09 03/01/97 Yes Yes 3765 172 1058 C 8 H 7 5 68.55 228.97 76.65 6.02E-05 20 -9.68E-10 -1.14E-09 1.02E-08 03/01/97 Yes Yes 3765 172 1058 C 8 H 7 10 68.6 235.07 66.81 7.69E-05 20 -1.84E-09 -2.69E-09 1.23E-08 03/01/97 Yes Yes 3765 172 1058 C 8 H 7 15 68.65 244.87 70.44 7.69E-05 20 -1.16E-09 -2.53E-09 1.26E-08 03/01/97 Yes Yes 3765 172 1058 C 8 H 7 20 68.7 243.74 77.01 9.83E-05 20 -1.04E-09 -2.15E-09 1.66E-08 03/01/97 Yes Yes 3765 172 1058 C 8 H 7 25 68.75 194.38 76.66 6.57E-05 20 -1.56E-09 -4.08E-10 1.11E-08 03/01/97 Yes Yes 3765 172 1058 C 8 H 7 30 68.8 337.44 59.96 9.40E-05 20 4.61E-09 -1.96E-09 1.41E-08 03/01/97 Yes Yes 3765 172 1058 C 8 H 7 35 68.85 297.75 68.16 1.08E-04 20 1.98E-09 -3.85E-09 1.74E-08 03/01/97 Yes Yes 3765 172 1058 C 8 H 7 40 68.9 197.81 46.89 1.02E-04 20 -7.03E-09 -2.31E-09 1.29E-08 03/01/97 Yes Yes 3765 172 1058 C 8 H 7 45 68.95 186.78 13.32 1.20E-04 20 -1.23E-08 -1.49E-09 4.77E-09 03/01/97 Yes Yes 3765 172 1058 C 8 H 7 50 69 255.22 29.12 1.07E-04 20 -2.52E-09 -9.77E-09 9.00E-09 03/01/97 Yes Yes 3765 172 1058 C 8 H 7 55 69.05 240.51 47.35 9.09E-05 20 -3.21E-09 -5.81E-09 1.16E-08 03/01/97 Yes Yes 3765 172 1058 C 8 H 7 60 69.1 10.92 40.58 2.97E-04 20 2.35E-08 4.64E-09 3.35E-08 03/01/97 Yes Yes 3765 172 1058 C 8 H 7 65 69.15 284.12 83 3.30E-04 20 1.04E-09 -4.23E-09 5.67E-08 03/01/97 Yes Yes 3765 172 1058 C 8 H 7 70 69.2 224.64 72.76 2.04E-04 20 -4.57E-09 -4.61E-09 3.38E-08 03/01/97 Yes Yes 3765 172 1058 C 8 H 7 75 69.25 135.7 37.93 1.24E-04 20 -7.43E-09 7.41E-09 1.32E-08 03/01/97 Yes Yes 3765 172 1058 C 8 H 7 80 69.3 147.14 31.26 8.34E-05 20 -6.35E-09 4.19E-09 7.50E-09 03/01/97 Yes Yes 3765 172 1058 C 8 H 7 85 69.35 303.15 8.33 2.86E-04 20 1.64E-08 -2.57E-08 7.18E-09 03/01/97 Yes Yes 3765 172 1058 C 9 H 1 0 69 77.48 23.6 2.34E-04 20 4.94E-09 2.27E-08 1.63E-08 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 5 69.05 50.85 38.07 2.04E-04 20 1.08E-08 1.35E-08 2.18E-08 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 10 69.1 347.75 31.5 1.68E-04 20 1.49E-08 -3.30E-09 1.52E-08 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 15 69.15 307.35 39.04 9.80E-05 20 4.90E-09 -6.56E-09 1.07E-08 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 20 69.2 93.13 59.42 2.37E-04 20 -6.98E-10 1.31E-08 3.54E-08 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 25 69.25 112.46 29.18 5.44E-04 20 -1.92E-08 4.76E-08 4.60E-08 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 30 69.3 195.64 62.77 2.26E-04 20 -1.06E-08 -3.03E-09 3.49E-08 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 35 69.35 183.51 52.36 1.20E-04 20 -7.73E-09 -4.85E-10 1.64E-08 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 40 69.4 217.42 27.23 1.07E-04 20 -8.00E-09 -6.26E-09 8.47E-09 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 45 69.45 288.92 59.16 1.13E-04 20 2.00E-09 -5.96E-09 1.69E-08 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 50 69.5 207.73 65.52 1.32E-04 20 -5.14E-09 -2.76E-09 2.08E-08 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 55 69.55 127.74 63.67 1.42E-04 20 -4.09E-09 5.41E-09 2.21E-08 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 60 69.6 147.17 64.31 1.39E-04 20 -5.38E-09 3.55E-09 2.17E-08 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 65 69.65 217.71 66 1.33E-04 20 -4.54E-09 -3.59E-09 2.11E-08 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 70 69.7 280.24 24.24 1.70E-04 20 2.92E-09 -1.66E-08 1.21E-08 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 75 69.75 0.68 -6.36 1.79E-04 20 1.88E-08 2.29E-10 -3.43E-09 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 80 69.8 76.74 49.05 8.24E-05 20 1.31E-09 5.70E-09 1.08E-08 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 85 69.85 263.68 55.03 1.07E-04 20 -7.19E-10 -6.64E-09 1.53E-08 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 90 69.9 146.49 64.57 1.66E-04 20 -6.32E-09 4.28E-09 2.61E-08 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 95 69.95 185.92 73.22 1.81E-04 20 -5.51E-09 -5.85E-10 3.00E-08 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 100 70 167.64 73.67 1.85E-04 20 -5.39E-09 1.21E-09 3.08E-08 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 105 70.05 188.03 72.65 1.63E-04 20 -5.11E-09 -7.37E-10 2.70E-08 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 110 70.1 198.81 74.42 1.55E-04 20 -4.19E-09 -1.46E-09 2.59E-08 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 115 70.15 185.78 69.26 1.47E-04 20 -5.49E-09 -5.68E-10 2.38E-08 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 120 70.2 132.37 79.04 1.48E-04 20 -2.01E-09 2.26E-09 2.52E-08 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 125 70.25 165.91 67.23 1.80E-04 20 -7.18E-09 1.84E-09 2.88E-08 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 130 70.3 202.76 72.07 1.54E-04 20 -4.62E-09 -1.98E-09 2.53E-08 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 135 70.35 260.08 72.2 1.65E-04 20 -9.22E-10 -5.39E-09 2.73E-08 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 140 70.4 183.27 64.13 1.88E-04 20 -8.66E-09 -5.06E-10 2.92E-08 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 145 70.45 177.05 55.26 2.08E-04 20 -1.25E-08 6.61E-10 2.96E-08 03/01/97 Yes Yes 3767 172 1058 C 9 H 1 150 70.5 172.97 50.98 1.02E-04 20 -6.79E-09 8.56E-10 1.38E-08 03/01/97 Yes Yes 3767 172 1058 C 9 H 2 0 70.5 218.61 72.16 1.10E-04 20 -2.79E-09 -2.28E-09 1.81E-08 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 5 70.55 198.44 53.23 2.07E-04 20 -1.25E-08 -4.26E-09 2.88E-08 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 10 70.6 190.84 60.43 1.83E-04 20 -9.43E-09 -1.85E-09 2.77E-08 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 15 70.65 199.66 74.61 1.80E-04 20 -4.76E-09 -1.74E-09 3.00E-08 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 20 70.7 188.52 62.2 2.22E-04 20 -1.09E-08 -1.66E-09 3.40E-08 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 25 70.75 208.29 51.64 1.58E-04 20 -9.16E-09 -5.04E-09 2.15E-08 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 30 70.8 247.24 83.44 5.55E-05 20 -2.60E-10 -6.34E-10 9.57E-09 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 35 70.85 335.93 74.36 6.74E-05 20 1.76E-09 -8.04E-10 1.13E-08 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 40 70.9 198.95 68.13 1.04E-04 20 -3.90E-09 -1.37E-09 1.68E-08 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 45 70.95 189.42 65.64 1.11E-04 20 -4.77E-09 -8.09E-10 1.75E-08 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 50 71 205.75 69.16 1.08E-04 20 -3.66E-09 -1.81E-09 1.74E-08 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 55 71.05 343.4 78.74 1.19E-04 20 2.35E-09 -7.18E-10 2.02E-08 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 60 71.1 165.66 60.63 1.63E-04 20 -8.23E-09 2.15E-09 2.47E-08 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 65 71.15 183.58 58.02 1.06E-04 20 -5.94E-09 -3.80E-10 1.56E-08 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 70 71.2 224.7 69.23 7.80E-05 20 -2.08E-09 -2.11E-09 1.26E-08 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 75 71.25 243.95 64.28 7.03E-05 20 -1.42E-09 -2.97E-09 1.10E-08 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 80 71.3 246.06 57.8 7.74E-05 20 -1.78E-09 -4.09E-09 1.14E-08 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 85 71.35 212.8 63.82 7.06E-05 20 -2.78E-09 -1.83E-09 1.10E-08 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 90 71.4 169.68 76.64 5.60E-05 20 -1.35E-09 2.52E-10 9.45E-09 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 95 71.45 84.49 56.81 7.80E-05 20 4.35E-10 4.61E-09 1.13E-08 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 100 71.5 127.53 80.43 7.57E-05 20 -8.13E-10 1.08E-09 1.29E-08 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 105 71.55 194.8 70.96 8.66E-05 20 -2.90E-09 -7.83E-10 1.42E-08 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 110 71.6 272.57 63.7 8.93E-05 20 1.88E-10 -4.29E-09 1.39E-08 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 115 71.65 251.85 47.95 1.17E-04 20 -2.60E-09 -8.10E-09 1.51E-08 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 120 71.7 192.67 59.44 1.06E-04 20 -5.57E-09 -1.28E-09 1.58E-08 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 125 71.75 212.34 53.99 1.10E-04 20 -5.81E-09 -3.76E-09 1.55E-08 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 130 71.8 239.86 52 1.34E-04 20 -4.40E-09 -7.76E-09 1.83E-08 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 135 71.85 218.52 67 1.22E-04 20 -3.95E-09 -3.22E-09 1.95E-08 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 140 71.9 279.1 61.11 1.20E-04 20 9.70E-10 -6.19E-09 1.82E-08 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 145 71.95 210.65 62.54 1.21E-04 20 -5.10E-09 -3.09E-09 1.86E-08 03/01/97 Yes Yes 3769 172 1058 C 9 H 2 150 72 182.93 49.06 7.98E-05 20 -5.54E-09 -2.90E-10 1.05E-08 03/01/97 Yes Yes 3769 172 1058 C 9 H 3 0 72 223.74 64.12 7.52E-05 20 -2.52E-09 -2.46E-09 1.17E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 5 72.05 233.11 75.24 1.39E-04 20 -2.25E-09 -3.07E-09 2.33E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 10 72.1 277.89 51.94 2.16E-04 20 1.94E-09 -1.43E-08 2.95E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 15 72.15 194.24 71.57 2.11E-04 20 -6.87E-09 -1.78E-09 3.48E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 20 72.2 147.96 60.21 1.40E-04 20 -6.25E-09 4.00E-09 2.10E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 25 72.25 224.27 83.54 1.10E-04 20 -9.40E-10 -9.37E-10 1.90E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 30 72.3 220.81 76.72 1.49E-04 20 -2.74E-09 -2.42E-09 2.51E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 35 72.35 157.91 76.6 1.41E-04 20 -3.21E-09 1.33E-09 2.38E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 40 72.4 233 81.17 1.31E-04 20 -1.29E-09 -1.75E-09 2.25E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 45 72.45 197.71 58.15 1.23E-04 20 -6.57E-09 -2.15E-09 1.81E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 50 72.5 249.75 58.34 1.14E-04 20 -2.19E-09 -6.08E-09 1.68E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 55 72.55 248.16 48.29 1.40E-04 20 -3.67E-09 -9.37E-09 1.81E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 60 72.6 194.83 60.12 1.25E-04 20 -6.40E-09 -1.73E-09 1.88E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 65 72.65 180.61 37.85 1.26E-04 20 -1.05E-08 -1.14E-10 1.34E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 70 72.7 163.26 19.75 7.92E-05 20 -7.57E-09 2.33E-09 4.64E-09 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 75 72.75 11.67 76.69 8.83E-05 20 2.11E-09 4.46E-10 1.49E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 80 72.8 204.23 74.89 1.13E-04 20 -2.84E-09 -1.31E-09 1.89E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 85 72.85 226.84 69.68 1.10E-04 20 -2.78E-09 -3.03E-09 1.79E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 90 72.9 182.66 57.06 9.61E-05 20 -5.54E-09 -2.63E-10 1.40E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 95 72.95 218.87 58.96 9.21E-05 20 -3.92E-09 -3.23E-09 1.37E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 100 73 222.34 59.63 1.02E-04 20 -4.05E-09 -3.77E-09 1.53E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 105 73.05 174.76 68.49 8.13E-05 20 -3.15E-09 2.95E-10 1.31E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 110 73.1 110.12 70.71 7.63E-05 20 -9.19E-10 2.57E-09 1.25E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 115 73.15 266.21 67.98 8.70E-05 20 -2.29E-10 -3.53E-09 1.40E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 120 73.2 247.76 59.91 8.72E-05 20 -1.76E-09 -4.39E-09 1.31E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 125 73.25 255.03 67.64 9.83E-05 20 -1.03E-09 -3.92E-09 1.58E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 130 73.3 221.11 73.51 1.16E-04 20 -2.62E-09 -2.34E-09 1.92E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 135 73.35 238.55 78.01 1.12E-04 20 -1.29E-09 -2.15E-09 1.90E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 140 73.4 254.19 71.38 1.03E-04 20 -9.48E-10 -3.42E-09 1.69E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 145 73.45 240.3 67.47 1.03E-04 20 -2.07E-09 -3.71E-09 1.65E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 3 150 73.5 137.25 58.31 7.54E-05 20 -3.09E-09 2.92E-09 1.11E-08 03/01/97 Yes Yes 3771 172 1058 C 9 H 4 0 73.5 100.41 80.55 5.66E-05 20 -1.78E-10 9.92E-10 9.68E-09 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 5 73.55 206.47 69.97 1.00E-04 20 -3.26E-09 -1.66E-09 1.63E-08 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 10 73.6 228.88 61.6 1.27E-04 20 -4.21E-09 -4.92E-09 1.93E-08 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 15 73.65 230.25 71.05 9.48E-05 20 -2.09E-09 -2.57E-09 1.55E-08 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 20 73.7 176.37 64.25 8.95E-05 20 -4.11E-09 2.67E-10 1.40E-08 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 25 73.75 171.29 46.16 1.01E-04 20 -7.30E-09 1.14E-09 1.26E-08 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 30 73.8 145.78 63.01 3.92E-05 20 -1.56E-09 1.09E-09 6.06E-09 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 35 73.85 342.74 40.45 1.09E-04 20 8.44E-09 -2.68E-09 1.23E-08 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 40 73.9 324.87 71.68 2.19E-04 20 5.98E-09 -4.30E-09 3.61E-08 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 45 73.95 196.5 50.9 1.78E-04 20 -1.14E-08 -3.45E-09 2.39E-08 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 50 74 199.09 66.18 9.24E-05 20 -3.74E-09 -1.32E-09 1.47E-08 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 55 74.05 211.23 65.68 8.75E-05 20 -3.27E-09 -2.03E-09 1.38E-08 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 60 74.1 207.87 68.14 9.23E-05 20 -3.22E-09 -1.74E-09 1.48E-08 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 65 74.15 191.66 63.07 1.28E-04 20 -6.03E-09 -1.27E-09 1.98E-08 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 70 74.2 202.29 57.17 1.32E-04 20 -7.02E-09 -2.94E-09 1.92E-08 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 75 74.25 142.92 61.81 9.97E-05 20 -3.99E-09 3.08E-09 1.52E-08 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 80 74.3 219.18 51.8 1.20E-04 20 -6.09E-09 -5.08E-09 1.63E-08 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 85 74.35 239.92 58.35 1.70E-04 20 -4.74E-09 -8.38E-09 2.51E-08 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 90 74.4 198.04 64.67 1.61E-04 20 -6.93E-09 -2.31E-09 2.52E-08 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 95 74.45 206.55 59.63 1.56E-04 20 -7.46E-09 -3.81E-09 2.33E-08 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 100 74.5 214.17 65.56 1.34E-04 20 -4.85E-09 -3.37E-09 2.11E-08 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 105 74.55 167.2 62.78 1.33E-04 20 -6.29E-09 1.46E-09 2.05E-08 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 110 74.6 212.63 57.13 1.20E-04 20 -5.81E-09 -3.80E-09 1.74E-08 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 115 74.65 251.24 49.08 1.48E-04 20 -3.31E-09 -9.96E-09 1.94E-08 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 120 74.7 96.34 39.42 1.49E-04 20 -1.35E-09 1.24E-08 1.64E-08 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 125 74.75 118.54 33.46 1.39E-04 20 -5.88E-09 1.11E-08 1.33E-08 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 130 74.8 116.41 27.26 1.81E-04 20 -7.57E-09 1.56E-08 1.43E-08 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 135 74.85 145.54 58.88 1.59E-04 20 -7.20E-09 5.05E-09 2.36E-08 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 140 74.9 277.97 63.07 1.81E-04 20 1.20E-09 -8.79E-09 2.79E-08 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 145 74.95 245.92 50.2 1.92E-04 20 -5.33E-09 -1.22E-08 2.56E-08 03/01/97 Yes Yes 3773 172 1058 C 9 H 4 150 75 181.41 49.78 9.60E-05 20 -6.58E-09 -1.65E-10 1.27E-08 03/01/97 Yes Yes 3773 172 1058 C 9 H 5 0 75 173.78 70.09 8.63E-05 20 -3.10E-09 3.45E-10 1.41E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 5 75.05 227.14 46.39 1.20E-04 20 -5.99E-09 -6.60E-09 1.51E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 10 75.1 247.98 61.05 1.26E-04 20 -2.42E-09 -6.12E-09 1.91E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 15 75.15 215.22 65.36 1.32E-04 20 -4.75E-09 -3.43E-09 2.07E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 20 75.2 193.92 80.58 1.20E-04 20 -2.02E-09 -5.11E-10 2.05E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 25 75.25 255.54 82.05 1.36E-04 20 -4.99E-10 -1.98E-09 2.34E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 30 75.3 213.51 73.69 1.29E-04 20 -3.20E-09 -2.17E-09 2.14E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 35 75.35 228.75 68.3 1.04E-04 20 -2.68E-09 -3.13E-09 1.67E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 40 75.4 205.81 74.05 8.89E-05 20 -2.33E-09 -1.15E-09 1.48E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 45 75.45 211.74 71.05 9.25E-05 20 -2.71E-09 -1.71E-09 1.52E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 50 75.5 198.1 61.17 9.70E-05 20 -4.72E-09 -1.58E-09 1.47E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 55 75.55 204.46 59.2 1.01E-04 20 -5.01E-09 -2.33E-09 1.51E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 60 75.6 195.61 65.03 1.08E-04 20 -4.67E-09 -1.33E-09 1.70E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 65 75.65 197.4 71.93 1.22E-04 20 -3.84E-09 -1.23E-09 2.02E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 70 75.7 185.83 74.03 1.47E-04 20 -4.27E-09 -4.47E-10 2.45E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 75 75.75 184.88 56.27 1.57E-04 20 -9.23E-09 -8.06E-10 2.27E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 80 75.8 211.41 63.31 1.36E-04 20 -5.51E-09 -3.44E-09 2.10E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 85 75.85 206.87 61.64 1.25E-04 20 -5.60E-09 -2.90E-09 1.90E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 90 75.9 201.07 61.31 1.19E-04 20 -5.67E-09 -2.24E-09 1.82E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 95 75.95 208.88 65.27 1.22E-04 20 -4.74E-09 -2.67E-09 1.92E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 100 76 206.92 66.78 1.17E-04 20 -4.35E-09 -2.26E-09 1.86E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 105 76.05 200.34 64.2 1.12E-04 20 -4.83E-09 -1.83E-09 1.74E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 110 76.1 195.83 59.05 1.07E-04 20 -5.61E-09 -1.63E-09 1.59E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 115 76.15 208.4 57.96 1.06E-04 20 -5.26E-09 -2.91E-09 1.56E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 120 76.2 190.18 63.05 1.03E-04 20 -4.87E-09 -8.95E-10 1.59E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 125 76.25 190.51 60.03 1.15E-04 20 -6.01E-09 -1.14E-09 1.73E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 130 76.3 240.72 53.39 1.43E-04 20 -4.41E-09 -8.04E-09 1.98E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 135 76.35 277.36 68.11 1.68E-04 20 8.50E-10 -6.73E-09 2.70E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 140 76.4 151.86 67.35 1.51E-04 20 -5.44E-09 2.97E-09 2.42E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 145 76.45 238.15 69.01 1.54E-04 20 -3.10E-09 -5.09E-09 2.50E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 5 150 76.5 223.2 47.27 1.00E-04 20 -5.26E-09 -5.05E-09 1.28E-08 03/01/97 Yes Yes 3775 172 1058 C 9 H 6 0 76.5 254.2 59.44 6.95E-05 20 -1.02E-09 -3.69E-09 1.04E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 5 76.55 266.87 60.97 1.32E-04 20 -3.73E-10 -6.96E-09 2.01E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 10 76.6 213.02 73.91 1.34E-04 20 -3.31E-09 -2.20E-09 2.24E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 15 76.65 99.49 72.93 1.24E-04 20 -6.39E-10 3.91E-09 2.06E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 20 76.7 128.09 79.51 1.28E-04 20 -1.52E-09 1.99E-09 2.18E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 25 76.75 254.67 69.33 1.38E-04 20 -1.37E-09 -5.10E-09 2.24E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 30 76.8 188.67 76.54 1.49E-04 20 -3.64E-09 -5.67E-10 2.51E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 35 76.85 166.57 76.88 1.21E-04 20 -2.84E-09 6.93E-10 2.05E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 40 76.9 234.7 72.41 1.16E-04 20 -2.16E-09 -3.11E-09 1.92E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 45 76.95 205.13 70.97 1.15E-04 20 -3.60E-09 -1.72E-09 1.88E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 50 77 218.48 70.1 1.07E-04 20 -3.02E-09 -2.46E-09 1.74E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 55 77.05 227.13 63.49 1.20E-04 20 -3.86E-09 -4.25E-09 1.86E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 60 77.1 229.27 59.87 1.35E-04 20 -4.70E-09 -5.58E-09 2.03E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 65 77.15 197.87 67.75 1.37E-04 20 -5.25E-09 -1.73E-09 2.20E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 70 77.2 52.66 76.36 1.14E-04 20 1.73E-09 2.32E-09 1.92E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 75 77.25 203.2 70.65 1.19E-04 20 -3.83E-09 -1.68E-09 1.94E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 80 77.3 139.9 53.17 1.22E-04 20 -5.93E-09 5.10E-09 1.69E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 85 77.35 168.99 64.09 1.17E-04 20 -5.32E-09 1.06E-09 1.82E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 90 77.4 236.13 64.49 1.12E-04 20 -2.85E-09 -4.34E-09 1.75E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 95 77.45 225.82 68.36 1.25E-04 20 -3.40E-09 -3.58E-09 2.01E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 100 77.5 226.13 66.29 1.22E-04 20 -3.61E-09 -3.84E-09 1.94E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 105 77.55 187.93 57.04 1.21E-04 20 -6.91E-09 -9.83E-10 1.76E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 110 77.6 181.81 56.37 8.08E-05 20 -4.74E-09 -1.53E-10 1.17E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 115 77.65 357.15 64.99 1.09E-04 20 4.90E-09 -2.50E-10 1.72E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 120 77.7 202.43 80.2 1.68E-04 20 -2.81E-09 -1.19E-09 2.88E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 125 77.75 221.06 69.37 1.55E-04 20 -4.37E-09 -3.89E-09 2.52E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 130 77.8 228.26 78.37 1.45E-04 20 -2.06E-09 -2.36E-09 2.46E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 135 77.85 200.51 65.51 1.51E-04 20 -6.20E-09 -2.37E-09 2.38E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 140 77.9 208.53 78.9 1.49E-04 20 -2.66E-09 -1.48E-09 2.53E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 145 77.95 194.44 78.75 1.65E-04 20 -3.30E-09 -8.70E-10 2.80E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 6 150 78 198.03 64.49 1.28E-04 20 -5.57E-09 -1.86E-09 2.01E-08 03/01/97 Yes Yes 3777 172 1058 C 9 H 7 0 78 220.28 67.4 8.87E-05 20 -2.76E-09 -2.39E-09 1.42E-08 03/01/97 Yes Yes 3779 172 1058 C 9 H 7 5 78.05 201.91 59.07 1.99E-04 20 -1.01E-08 -4.14E-09 2.96E-08 03/01/97 Yes Yes 3779 172 1058 C 9 H 7 10 78.1 190.38 60.01 2.20E-04 20 -1.15E-08 -2.15E-09 3.31E-08 03/01/97 Yes Yes 3779 172 1058 C 9 H 7 15 78.15 204.16 61.21 1.99E-04 20 -9.28E-09 -4.26E-09 3.03E-08 03/01/97 Yes Yes 3779 172 1058 C 9 H 7 20 78.2 240.42 73.61 1.97E-04 20 -2.91E-09 -5.25E-09 3.28E-08 03/01/97 Yes Yes 3779 172 1058 C 9 H 7 25 78.25 212.25 77.6 2.85E-04 20 -5.50E-09 -3.55E-09 4.83E-08 03/01/97 Yes Yes 3779 172 1058 C 9 H 7 30 78.3 256.39 82.14 5.36E-04 20 -1.83E-09 -7.72E-09 9.20E-08 03/01/97 Yes Yes 3779 172 1058 C 9 H 7 35 78.35 204.23 62.88 1.43E-03 20 -6.33E-08 -2.91E-08 2.21E-07 03/01/97 Yes Yes 3779 172 1058 C 9 H 7 40 78.4 199.14 47.89 1.94E-03 20 -1.30E-07 -4.63E-08 2.50E-07 03/01/97 Yes Yes 3779 172 1058 C 9 H 7 45 78.45 199.37 63.46 7.34E-04 20 -3.28E-08 -1.18E-08 1.14E-07 03/01/97 Yes Yes 3779 172 1058 C 9 H 7 50 78.5 228.06 82.31 4.56E-04 20 -4.32E-09 -4.92E-09 7.83E-08 03/01/97 Yes Yes 3779 172 1058 C 9 H 7 55 78.55 203.49 65.17 5.13E-04 20 -2.09E-08 -9.31E-09 8.06E-08 03/01/97 Yes Yes 3779 172 1058 C 9 H 7 60 78.6 213.75 68.2 4.70E-04 20 -1.54E-08 -1.05E-08 7.57E-08 03/01/97 Yes Yes 3779 172 1058 C 9 H 7 65 78.65 231.34 75.17 6.40E-04 20 -1.09E-08 -1.39E-08 1.07E-07 03/01/97 Yes Yes 3779 172 1058 C 9 H 7 70 78.7 214.05 61.64 7.75E-04 20 -3.23E-08 -2.23E-08 1.18E-07 03/01/97 Yes Yes 3779 172 1058 C 9 H 7 75 78.75 318.48 75.68 7.35E-04 20 1.44E-08 -1.31E-08 1.23E-07 03/01/97 Yes Yes 3779 172 1058 C 9 H 7 80 78.8 117.52 68.76 1.04E-03 20 -1.84E-08 3.62E-08 1.68E-07 03/01/97 Yes Yes 3779 172 1058 C 9 H 7 85 78.85 186.98 47.63 8.80E-04 20 -6.24E-08 -7.82E-09 1.13E-07 03/01/97 Yes Yes 3779 172 1058 C 9 H 7 90 78.9 221.22 54.06 3.59E-04 20 -1.68E-08 -1.51E-08 5.04E-08 03/01/97 Yes Yes 3779 172 1058 C 10 H 1 0 78.5 88.05 65.85 1.90E-04 20 2.80E-10 8.42E-09 3.00E-08 03/01/97 Yes Yes 3781 172 1058 C 10 H 1 5 78.55 94.63 54.79 4.22E-04 20 -2.08E-09 2.63E-08 5.98E-08 03/01/97 Yes Yes 3781 172 1058 C 10 H 1 10 78.6 110.46 51.04 5.11E-04 20 -1.19E-08 3.26E-08 6.89E-08 03/01/97 Yes Yes 3781 172 1058 C 10 H 1 15 78.65 107.4 57.28 4.56E-04 20 -7.82E-09 2.55E-08 6.65E-08 03/01/97 Yes Yes 3781 172 1058 C 10 H 1 20 78.7 93.74 59.72 4.59E-04 20 -1.60E-09 2.50E-08 6.87E-08 03/01/97 Yes Yes 3781 172 1058 C 10 H 1 25 78.75 104.97 55.29 5.00E-04 20 -7.80E-09 2.98E-08 7.13E-08 03/01/97 Yes Yes 3781 172 1058 C 10 H 1 30 78.8 111.53 66.3 4.81E-04 20 -7.52E-09 1.95E-08 7.63E-08 03/01/97 Yes Yes 3781 172 1058 C 10 H 1 35 78.85 81.79 63.44 7.21E-04 20 4.88E-09 3.46E-08 1.12E-07 03/01/97 Yes Yes 3781 172 1058 C 10 H 1 40 78.9 87.49 56.01 1.01E-03 20 2.63E-09 6.13E-08 1.45E-07 03/01/97 Yes Yes 3781 172 1058 C 10 H 1 45 78.95 89.71 56.98 1.19E-03 20 3.53E-10 7.05E-08 1.73E-07 03/01/97 Yes Yes 3781 172 1058 C 10 H 3 0 80.43 321.96 30.12 8.31E-05 20 6.00E-09 -4.80E-09 7.23E-09 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 5 80.48 45.24 51.35 1.20E-04 20 5.61E-09 5.78E-09 1.63E-08 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 10 80.53 106.27 56.48 1.05E-04 20 -1.73E-09 6.06E-09 1.52E-08 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 15 80.58 96.13 40.34 7.43E-05 20 -6.42E-10 6.11E-09 8.34E-09 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 20 80.63 97.83 18.18 2.15E-04 20 -2.95E-09 2.19E-08 1.16E-08 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 25 80.68 63.17 31.49 1.09E-04 20 4.45E-09 9.01E-09 9.88E-09 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 30 80.73 68.53 50.07 1.75E-04 20 4.35E-09 1.13E-08 2.32E-08 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 35 80.78 77.97 44.84 2.43E-04 20 3.81E-09 1.83E-08 2.97E-08 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 40 80.83 72.41 54.53 2.08E-04 20 3.87E-09 1.25E-08 2.94E-08 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 45 80.88 73.93 68.42 1.47E-04 20 1.59E-09 5.65E-09 2.38E-08 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 50 80.93 32.74 60.97 1.75E-04 20 7.59E-09 4.99E-09 2.66E-08 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 55 80.98 99.28 63.26 1.87E-04 20 -1.44E-09 9.01E-09 2.90E-08 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 60 81.03 142.51 55.48 1.10E-04 20 -5.23E-09 4.10E-09 1.57E-08 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 65 81.08 43.28 68.04 9.73E-05 20 2.81E-09 2.71E-09 1.57E-08 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 70 81.13 78.88 69.39 1.70E-04 20 1.23E-09 6.38E-09 2.76E-08 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 75 81.18 102.64 56.61 2.09E-04 20 -2.67E-09 1.22E-08 3.02E-08 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 80 81.23 107.49 39.25 2.15E-04 20 -5.30E-09 1.72E-08 2.36E-08 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 85 81.28 43.96 55.13 1.37E-04 20 5.99E-09 5.91E-09 1.95E-08 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 90 81.33 23.84 77.78 1.78E-04 20 3.65E-09 1.65E-09 3.01E-08 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 95 81.38 82.48 53.13 1.97E-04 20 1.64E-09 1.27E-08 2.73E-08 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 100 81.43 77.33 54.63 2.25E-04 20 3.03E-09 1.38E-08 3.18E-08 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 105 81.48 76.61 70.15 2.16E-04 20 1.80E-09 7.73E-09 3.52E-08 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 110 81.53 103.36 67.49 1.87E-04 20 -1.76E-09 7.56E-09 3.00E-08 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 115 81.58 70.04 61.68 1.50E-04 20 2.57E-09 7.25E-09 2.29E-08 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 120 81.63 57.17 50.7 1.71E-04 20 6.23E-09 9.87E-09 2.29E-08 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 125 81.68 68.28 57.51 1.83E-04 20 3.85E-09 9.89E-09 2.67E-08 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 130 81.73 214.65 37.42 2.61E-04 20 -1.81E-08 -1.28E-08 2.75E-08 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 135 81.78 184.24 63.65 1.87E-04 20 -8.78E-09 -6.66E-10 2.90E-08 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 140 81.83 77.16 54.71 2.20E-04 20 3.00E-09 1.35E-08 3.12E-08 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 145 81.88 74.71 46.29 2.25E-04 20 4.35E-09 1.63E-08 2.82E-08 03/01/97 Yes Yes 3783 172 1058 C 10 H 3 150 81.93 80.56 50.31 1.39E-04 20 1.54E-09 9.47E-09 1.85E-08 03/01/97 Yes Yes 3783 172 1058 C 10 H 4 0 81.93 57.08 60.07 7.76E-05 20 2.23E-09 3.53E-09 1.17E-08 03/01/97 Yes Yes 3785 172 1058 C 10 H 4 5 81.98 75.84 57.19 1.20E-04 20 1.68E-09 6.81E-09 1.74E-08 03/01/97 Yes Yes 3785 172 1058 C 10 H 4 10 82.03 79.69 61.03 1.10E-04 20 1.01E-09 5.69E-09 1.67E-08 03/01/97 Yes Yes 3785 172 1058 C 10 H 4 15 82.08 69.37 69.99 1.21E-04 20 1.54E-09 4.20E-09 1.97E-08 03/01/97 Yes Yes 3785 172 1058 C 10 H 4 20 82.13 89.26 63.88 1.40E-04 20 8.42E-11 6.66E-09 2.17E-08 03/01/97 Yes Yes 3785 172 1058 C 10 H 4 25 82.18 78.64 60.7 1.30E-04 20 1.33E-09 6.75E-09 1.96E-08 03/01/97 Yes Yes 3785 172 1058 C 10 H 4 30 82.23 52.73 42.18 1.81E-04 20 8.61E-09 1.16E-08 2.11E-08 03/01/97 Yes Yes 3785 172 1058 C 10 H 4 35 82.28 68.99 50.61 1.86E-04 20 4.48E-09 1.19E-08 2.49E-08 03/01/97 Yes Yes 3785 172 1058 C 10 H 4 40 82.33 83 46.76 1.93E-04 20 1.71E-09 1.42E-08 2.43E-08 03/01/97 Yes Yes 3785 172 1058 C 10 H 4 45 82.38 72.47 51.15 1.66E-04 20 3.32E-09 1.08E-08 2.24E-08 03/01/97 Yes Yes 3785 172 1058 C 10 H 4 50 82.43 282.58 38.78 1.44E-04 20 2.60E-09 -1.19E-08 1.57E-08 03/01/97 Yes Yes 3785 172 1058 C 10 H 5 0 82.46 280.84 48.75 2.30E-04 20 3.02E-09 -1.61E-08 3.00E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 5 82.51 266.04 43.28 5.02E-04 20 -2.68E-09 -3.96E-08 5.97E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 10 82.56 193.76 77.86 3.56E-04 20 -7.71E-09 -1.93E-09 6.03E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 15 82.61 139.97 57.2 3.27E-04 20 -1.44E-08 1.23E-08 4.76E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 20 82.66 83.39 74 1.81E-04 20 6.09E-10 5.37E-09 3.02E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 25 82.71 84.06 51.23 1.34E-04 20 9.22E-10 9.06E-09 1.81E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 30 82.76 75.65 47.35 1.09E-04 20 1.95E-09 7.79E-09 1.40E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 35 82.81 20.56 59.23 8.62E-05 20 4.38E-09 1.68E-09 1.28E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 40 82.86 45.12 41.82 1.20E-04 20 6.68E-09 6.86E-09 1.38E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 45 82.91 72.03 41.83 1.38E-04 20 3.36E-09 1.06E-08 1.59E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 50 82.96 54.34 51.4 1.38E-04 20 5.33E-09 7.59E-09 1.87E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 55 83.01 66.61 54.59 1.59E-04 20 3.89E-09 9.19E-09 2.25E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 60 83.06 79.43 59.23 1.42E-04 20 1.41E-09 7.74E-09 2.11E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 65 83.11 74.69 59.49 1.30E-04 20 1.84E-09 6.88E-09 1.93E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 70 83.16 74.3 64.5 1.31E-04 20 1.62E-09 5.91E-09 2.06E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 75 83.21 78.03 62.31 1.37E-04 20 1.40E-09 6.76E-09 2.11E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 80 83.26 54.52 65.19 1.35E-04 20 3.50E-09 5.02E-09 2.13E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 85 83.31 34.97 63.66 1.55E-04 20 5.97E-09 4.27E-09 2.40E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 90 83.36 66.38 61.91 1.67E-04 20 3.33E-09 7.80E-09 2.55E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 95 83.41 104.62 70.08 1.62E-04 20 -1.48E-09 5.81E-09 2.65E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 100 83.46 172.49 86.67 1.57E-04 20 -9.58E-10 1.29E-10 2.71E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 105 83.51 54.43 41.67 3.18E-04 20 1.47E-08 2.10E-08 3.67E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 110 83.56 62.83 22.7 8.64E-04 20 3.86E-08 7.69E-08 5.78E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 115 83.61 68.14 46.1 3.17E-04 20 8.68E-09 2.21E-08 3.96E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 120 83.66 118.5 86.95 1.39E-04 20 -3.75E-10 7.06E-10 2.41E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 125 83.71 55.31 70.38 1.33E-04 20 2.70E-09 3.99E-09 2.17E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 130 83.76 70.06 57.95 1.45E-04 20 2.78E-09 7.84E-09 2.13E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 135 83.81 68.69 41.35 1.73E-04 20 5.00E-09 1.31E-08 1.98E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 140 83.86 71.22 42.86 1.95E-04 20 4.89E-09 1.47E-08 2.30E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 145 83.91 67.33 56.27 1.78E-04 20 4.04E-09 9.89E-09 2.57E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 5 150 83.96 131.23 65.73 9.42E-05 20 -2.71E-09 3.16E-09 1.49E-08 03/01/97 Yes Yes 3787 172 1058 C 10 H 6 0 83.96 70.99 46.08 9.64E-05 20 2.31E-09 6.86E-09 1.20E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 5 84.01 80.8 44.64 1.41E-04 20 1.70E-09 1.07E-08 1.71E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 10 84.06 70.76 49.87 1.25E-04 20 2.83E-09 8.28E-09 1.66E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 15 84.11 57.18 54.83 1.19E-04 20 3.95E-09 6.26E-09 1.69E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 20 84.16 49.03 64.47 1.17E-04 20 3.51E-09 4.13E-09 1.83E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 25 84.21 60.25 66.02 1.17E-04 20 2.51E-09 4.49E-09 1.86E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 30 84.26 53.75 54.65 1.37E-04 20 4.96E-09 6.92E-09 1.93E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 35 84.31 65.09 65.67 1.60E-04 20 2.95E-09 6.50E-09 2.53E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 40 84.36 62.66 68.99 1.44E-04 20 2.52E-09 4.98E-09 2.33E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 45 84.41 92.43 60.68 1.40E-04 20 -3.09E-10 7.43E-09 2.12E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 50 84.46 88.06 54.84 1.34E-04 20 2.76E-10 8.35E-09 1.90E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 55 84.51 52.68 61.08 1.37E-04 20 4.25E-09 5.69E-09 2.07E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 60 84.56 56.02 61.02 1.45E-04 20 4.16E-09 6.31E-09 2.20E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 65 84.61 81.41 67.04 1.38E-04 20 8.51E-10 5.76E-09 2.20E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 70 84.66 71.46 65.23 1.23E-04 20 1.73E-09 5.28E-09 1.93E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 75 84.71 76.73 57.72 1.28E-04 20 1.66E-09 7.22E-09 1.88E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 80 84.76 71.53 54.68 1.33E-04 20 2.58E-09 7.89E-09 1.88E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 85 84.81 56.9 59.28 1.34E-04 20 3.97E-09 6.23E-09 2.00E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 90 84.86 65.9 58.86 1.52E-04 20 3.39E-09 7.76E-09 2.25E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 95 84.91 76.5 58.25 1.69E-04 20 2.20E-09 9.36E-09 2.49E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 100 84.96 76.98 58.32 1.77E-04 20 2.22E-09 9.80E-09 2.61E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 105 85.01 78.86 58.53 1.87E-04 20 2.00E-09 1.04E-08 2.77E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 110 85.06 86.86 57.34 1.80E-04 20 5.65E-10 1.05E-08 2.63E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 115 85.11 76.05 52.96 2.07E-04 20 3.19E-09 1.31E-08 2.87E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 120 85.16 67.57 55.96 2.24E-04 20 5.07E-09 1.26E-08 3.21E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 125 85.21 65.49 53.73 2.37E-04 20 6.18E-09 1.39E-08 3.32E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 130 85.26 69.39 52.96 2.57E-04 20 5.78E-09 1.57E-08 3.56E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 135 85.31 113.4 41.89 3.70E-04 20 -1.16E-08 2.74E-08 4.29E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 140 85.36 123.7 49.89 3.10E-04 20 -1.17E-08 1.80E-08 4.11E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 145 85.41 69.12 42.43 3.06E-04 20 8.53E-09 2.29E-08 3.58E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 6 150 85.46 90.54 63.76 1.53E-04 20 -6.82E-11 7.34E-09 2.38E-08 03/01/97 Yes Yes 3789 172 1058 C 10 H 7 0 85.46 46.32 42.19 4.57E-04 20 2.48E-08 2.66E-08 5.32E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 7 5 85.51 7.17 48.05 4.11E-04 20 2.89E-08 3.72E-09 5.30E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 7 10 85.56 23.42 52.65 2.79E-04 20 1.65E-08 7.30E-09 3.85E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 7 15 85.61 17.23 55.84 2.44E-04 20 1.39E-08 4.40E-09 3.50E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 7 20 85.66 31.22 47.25 2.59E-04 20 1.60E-08 9.89E-09 3.30E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 7 25 85.71 47.05 41.75 3.04E-04 20 1.64E-08 1.80E-08 3.51E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 7 30 85.76 74.57 29.13 4.21E-04 20 1.04E-08 3.84E-08 3.55E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 7 35 85.81 57.78 56.53 3.12E-04 20 9.75E-09 1.58E-08 4.52E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 7 40 85.86 348.07 77.13 2.19E-04 20 5.07E-09 -1.10E-09 3.71E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 7 45 85.91 34.15 45.98 2.36E-04 20 1.44E-08 9.99E-09 2.94E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 7 50 85.96 40.09 45.83 1.97E-04 20 1.12E-08 9.60E-09 2.45E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 7 55 86.01 356.84 55.37 1.62E-04 20 9.74E-09 -5.51E-10 2.31E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 7 60 86.06 32.73 51.54 1.94E-04 20 1.08E-08 7.09E-09 2.64E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 7 65 86.11 45.44 45.3 2.32E-04 20 1.22E-08 1.26E-08 2.86E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 7 70 86.16 32.82 47.6 2.41E-04 20 1.45E-08 9.54E-09 3.08E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 7 75 86.21 28.76 52.25 2.49E-04 20 1.42E-08 7.95E-09 3.41E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 7 80 86.26 44.32 63.74 1.82E-04 20 6.10E-09 6.09E-09 2.82E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 7 85 86.31 12.31 47.35 1.92E-04 20 1.35E-08 3.02E-09 2.45E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 7 90 86.36 36.05 36.5 2.31E-04 20 1.59E-08 1.19E-08 2.38E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 7 95 86.41 44.09 52.25 1.91E-04 20 8.90E-09 8.81E-09 2.62E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 7 100 86.46 37.22 53.11 1.96E-04 20 9.93E-09 7.72E-09 2.72E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 7 105 86.51 39.96 50.92 1.99E-04 20 1.02E-08 8.75E-09 2.68E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 7 110 86.56 33.94 50.89 1.76E-04 20 9.74E-09 6.70E-09 2.36E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 7 115 86.61 41.77 41.57 2.09E-04 20 1.24E-08 1.13E-08 2.41E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 7 120 86.66 58.65 46.23 1.84E-04 20 7.01E-09 1.18E-08 2.30E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 7 125 86.71 41.44 46.68 1.82E-04 20 9.95E-09 8.98E-09 2.30E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 7 130 86.76 39.66 48.3 2.02E-04 20 1.10E-08 9.30E-09 2.61E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 7 135 86.81 41.23 49.86 1.82E-04 20 9.36E-09 8.39E-09 2.41E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 7 140 86.86 45.79 44.94 1.78E-04 20 9.30E-09 9.78E-09 2.18E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 7 145 86.91 47.97 42 1.49E-04 20 7.88E-09 8.94E-09 1.73E-08 03/01/97 Yes Yes 3791 172 1058 C 10 H 8 0 86.96 80.09 41.31 1.01E-04 20 1.38E-09 8.08E-09 1.15E-08 03/01/97 Yes Yes 3793 172 1058 C 10 H 8 5 87.01 86.15 44.98 1.60E-04 20 8.04E-10 1.22E-08 1.96E-08 03/01/97 Yes Yes 3793 172 1058 C 10 H 8 10 87.06 85.08 52.63 1.56E-04 20 8.60E-10 1.02E-08 2.14E-08 03/01/97 Yes Yes 3793 172 1058 C 10 H 8 15 87.11 78.51 52.5 1.70E-04 20 2.18E-09 1.10E-08 2.33E-08 03/01/97 Yes Yes 3793 172 1058 C 10 H 8 20 87.16 80.99 57.28 1.73E-04 20 1.56E-09 1.00E-08 2.53E-08 03/01/97 Yes Yes 3793 172 1058 C 10 H 8 25 87.21 84.37 62.07 1.64E-04 20 8.00E-10 8.30E-09 2.51E-08 03/01/97 Yes Yes 3793 172 1058 C 10 H 8 30 87.26 86.55 53.58 1.91E-04 20 7.25E-10 1.23E-08 2.66E-08 03/01/97 Yes Yes 3793 172 1058 C 10 H 8 35 87.31 97.65 59.68 1.82E-04 20 -1.30E-09 9.89E-09 2.73E-08 03/01/97 Yes Yes 3793 172 1058 C 10 H 8 40 87.36 63.58 64.87 1.37E-04 20 2.74E-09 5.64E-09 2.14E-08 03/01/97 Yes Yes 3793 172 1058 C 10 H 8 45 87.41 52.73 65.8 1.13E-04 20 2.97E-09 3.99E-09 1.78E-08 03/01/97 Yes Yes 3793 172 1058 C 10 H 8 50 87.46 18.33 64.71 1.10E-04 20 4.71E-09 1.60E-09 1.72E-08 03/01/97 Yes Yes 3793 172 1058 C 10 H 8 55 87.51 68.66 52.75 1.28E-04 20 3.00E-09 7.85E-09 1.77E-08 03/01/97 Yes Yes 3793 172 1058 C 10 H 8 60 87.56 69.12 53.68 1.09E-04 20 2.43E-09 6.52E-09 1.52E-08 03/01/97 Yes Yes 3793 172 1058 C 10 H 8 65 87.61 75.83 55.74 1.12E-04 20 1.64E-09 6.66E-09 1.61E-08 03/01/97 Yes Yes 3793 172 1058 C 10 H 8 70 87.66 90.11 52.3 1.27E-04 20 -1.63E-11 8.44E-09 1.75E-08 03/01/97 Yes Yes 3793 172 1058 C 10 H 8 75 87.71 93.48 63.3 8.28E-05 20 -2.39E-10 4.03E-09 1.28E-08 03/01/97 Yes Yes 3793 172 1058 C 10 H 8 80 87.76 50.23 57.79 1.24E-04 20 4.47E-09 5.49E-09 1.81E-08 03/01/97 Yes Yes 3793 172 1058 C 10 H 8 85 87.81 69.68 68.46 1.81E-04 20 2.44E-09 6.74E-09 2.91E-08 03/01/97 Yes Yes 3793 172 1058 C 10 H 8 90 87.86 73.84 66.24 3.02E-04 20 3.59E-09 1.27E-08 4.79E-08 03/01/97 Yes Yes 3793 172 1058 C 10 H 8 95 87.91 65.27 56.89 5.75E-04 20 1.39E-08 3.09E-08 8.35E-08 03/01/97 Yes Yes 3793 172 1058 C 10 H 8 100 87.96 66.05 49.51 9.55E-04 20 2.67E-08 6.14E-08 1.26E-07 03/01/97 Yes Yes 3793 172 1058 C 10 H 8 105 88.01 74.69 45.85 1.34E-03 20 2.62E-08 9.80E-08 1.67E-07 03/01/97 Yes Yes 3793 172 1058 C 10 H 8 110 88.06 85.92 53.76 1.06E-03 20 4.74E-09 6.80E-08 1.49E-07 03/01/97 Yes Yes 3793 172 1058 C 10 H 8 115 88.11 78.42 55.53 8.17E-04 20 9.85E-09 4.91E-08 1.17E-07 03/01/97 Yes Yes 3793 172 1058 C 10 H 8 120 88.16 63.44 57.45 1.01E-03 20 2.57E-08 5.26E-08 1.47E-07 03/01/97 Yes Yes 3793 172 1058 C 10 H 8 125 88.21 76.14 58.29 1.67E-03 20 2.22E-08 9.22E-08 2.46E-07 03/01/97 Yes Yes 3793 172 1058 C 10 H 8 130 88.26 89.42 46.81 2.13E-03 20 1.57E-09 1.58E-07 2.70E-07 03/01/97 Yes Yes 3793 172 1058 C 10 H 8 135 88.31 77.91 41.18 1.68E-03 20 2.81E-08 1.34E-07 1.92E-07 03/01/97 Yes Yes 3793 172 1058 C 10 H 8 140 88.36 47.95 31.02 1.67E-03 20 1.01E-07 1.15E-07 1.49E-07 03/01/97 Yes Yes 3793 172 1058 C 11 H 1 0 88 214.92 67.45 1.07E-04 20 -3.58E-09 -2.56E-09 1.72E-08 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 5 88.05 293.18 33.23 1.66E-04 20 5.78E-09 -1.38E-08 1.57E-08 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 10 88.1 322.26 29.04 2.24E-04 20 1.64E-08 -1.30E-08 1.88E-08 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 15 88.15 336.93 51.29 1.57E-04 20 9.57E-09 -4.17E-09 2.12E-08 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 20 88.2 100.95 35.26 1.18E-04 20 -1.94E-09 1.02E-08 1.18E-08 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 25 88.25 107.2 34.05 2.05E-05 20 -5.34E-10 1.76E-09 1.99E-09 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 30 88.3 16.88 -9.29 5.28E-05 20 5.29E-09 1.64E-09 -1.48E-09 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 35 88.35 38.93 21.34 9.23E-05 20 7.09E-09 5.86E-09 5.82E-09 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 40 88.4 355.72 65.24 7.14E-05 20 3.16E-09 -2.42E-10 1.12E-08 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 45 88.45 8.39 47.44 1.03E-04 20 7.33E-09 1.11E-09 1.32E-08 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 50 88.5 30.11 39.63 1.56E-04 20 1.10E-08 6.52E-09 1.72E-08 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 55 88.55 55.82 29.64 1.35E-04 20 7.00E-09 1.05E-08 1.16E-08 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 60 88.6 285.57 29.14 1.68E-04 20 4.17E-09 -1.53E-08 1.41E-08 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 65 88.65 29.18 60.64 1.77E-04 20 8.05E-09 4.59E-09 2.68E-08 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 70 88.7 48.38 35.45 1.44E-04 20 8.26E-09 9.50E-09 1.45E-08 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 75 88.75 358.89 43.99 1.35E-04 20 1.03E-08 -2.04E-10 1.63E-08 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 80 88.8 336.28 71.7 1.07E-04 20 3.27E-09 -1.47E-09 1.77E-08 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 85 88.85 320.48 72.44 1.13E-04 20 2.78E-09 -2.35E-09 1.86E-08 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 90 88.9 351.05 59.58 8.74E-05 20 4.64E-09 -7.47E-10 1.31E-08 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 95 88.95 25.12 53.3 7.22E-05 20 4.14E-09 1.99E-09 1.00E-08 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 100 89 63.42 36.21 1.12E-04 20 4.28E-09 8.75E-09 1.14E-08 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 105 89.05 46.62 26.02 1.50E-04 20 9.81E-09 1.06E-08 1.14E-08 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 110 89.1 327.49 32.45 7.56E-05 20 5.70E-09 -3.72E-09 7.03E-09 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 115 89.15 182.45 66.48 1.36E-05 20 -5.75E-10 -2.52E-11 2.16E-09 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 120 89.2 312.04 3.01 4.34E-05 20 3.08E-09 -3.49E-09 3.95E-10 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 125 89.25 354.84 26.71 7.89E-05 20 7.44E-09 -6.87E-10 6.15E-09 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 130 89.3 35.27 49.6 7.46E-05 20 4.19E-09 3.03E-09 9.85E-09 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 135 89.35 23.09 46.43 9.22E-05 20 6.20E-09 2.70E-09 1.16E-08 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 140 89.4 359.83 47.96 9.26E-05 20 6.58E-09 -2.01E-11 1.19E-08 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 145 89.45 23.34 47.01 7.12E-05 20 4.73E-09 2.09E-09 9.03E-09 03/01/97 Yes Yes 3795 172 1058 C 11 H 1 150 89.5 350.47 58.67 3.51E-05 20 1.91E-09 -3.28E-10 5.20E-09 03/01/97 Yes Yes 3795 172 1058 C 11 H 2 0 89.5 9.27 20.36 8.34E-05 20 8.18E-09 1.37E-09 5.03E-09 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 5 89.55 346.11 36.22 7.68E-05 20 6.38E-09 -1.61E-09 7.86E-09 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 10 89.6 81 61.5 6.22E-05 20 4.92E-10 3.18E-09 9.47E-09 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 15 89.65 8.04 67.55 7.32E-05 20 2.94E-09 4.24E-10 1.17E-08 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 20 89.7 341.66 50.88 1.13E-04 20 7.20E-09 -2.44E-09 1.52E-08 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 25 89.75 16.36 55.69 1.30E-04 20 7.46E-09 2.24E-09 1.86E-08 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 30 89.8 18.96 52.73 1.25E-04 20 7.61E-09 2.68E-09 1.73E-08 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 35 89.85 13.38 59.09 1.01E-04 20 5.37E-09 1.31E-09 1.51E-08 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 40 89.9 324.52 54.52 8.10E-05 20 4.06E-09 -2.96E-09 1.14E-08 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 45 89.95 333.45 53.3 5.87E-05 20 3.33E-09 -1.70E-09 8.16E-09 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 50 90 3.31 48.83 5.87E-05 20 4.09E-09 2.42E-10 7.66E-09 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 55 90.05 16.79 43.04 6.52E-05 20 4.84E-09 1.49E-09 7.72E-09 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 60 90.1 50.73 49.77 6.91E-05 20 3.00E-09 3.75E-09 9.14E-09 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 65 90.15 34.62 37.2 8.27E-05 20 5.75E-09 4.06E-09 8.67E-09 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 70 90.2 345.08 50.76 7.19E-05 20 4.66E-09 -1.27E-09 9.65E-09 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 75 90.25 234.23 29.28 1.26E-04 20 -6.79E-09 -9.64E-09 1.07E-08 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 80 90.3 303.62 54.38 1.19E-04 20 4.05E-09 -6.23E-09 1.67E-08 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 85 90.35 14.6 38.94 1.76E-04 20 1.41E-08 3.74E-09 1.92E-08 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 90 90.4 4.81 62.29 1.09E-04 20 5.35E-09 4.60E-10 1.67E-08 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 95 90.45 16.43 69.18 1.02E-04 20 3.68E-09 1.11E-09 1.65E-08 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 100 90.5 33.72 43.75 2.05E-04 20 1.31E-08 8.93E-09 2.46E-08 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 105 90.55 316.55 63.5 2.08E-04 20 7.14E-09 -6.92E-09 3.23E-08 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 110 90.6 240.72 63.01 1.44E-04 20 -3.39E-09 -6.18E-09 2.22E-08 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 115 90.65 51.42 41.42 1.32E-04 20 6.53E-09 8.38E-09 1.51E-08 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 120 90.7 74.77 75.47 6.07E-05 20 4.24E-10 1.59E-09 1.02E-08 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 125 90.75 266.43 25.58 2.01E-04 20 -1.20E-09 -1.96E-08 1.50E-08 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 130 90.8 337.85 35.63 1.48E-04 20 1.18E-08 -4.90E-09 1.49E-08 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 135 90.85 348.22 55.82 1.30E-04 20 7.59E-09 -1.62E-09 1.87E-08 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 140 90.9 349.68 54.55 1.25E-04 20 7.59E-09 -1.41E-09 1.77E-08 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 145 90.95 353.78 40.8 1.25E-04 20 1.00E-08 -1.12E-09 1.42E-08 03/01/97 Yes Yes 3797 172 1058 C 11 H 2 150 91 45.58 89.19 6.19E-05 20 6.52E-11 6.80E-11 1.07E-08 03/01/97 Yes Yes 3797 172 1058 C 11 H 3 0 91 332.33 41.72 9.20E-05 20 6.45E-09 -3.46E-09 1.06E-08 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 5 91.05 344.79 57.85 1.34E-04 20 7.30E-09 -2.03E-09 1.97E-08 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 10 91.1 355.75 61.74 1.28E-04 20 6.39E-09 -4.85E-10 1.95E-08 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 15 91.15 12.23 55.08 1.22E-04 20 7.24E-09 1.61E-09 1.74E-08 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 20 91.2 359.62 40.24 1.35E-04 20 1.09E-08 -7.36E-11 1.51E-08 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 25 91.25 9.42 48.39 1.48E-04 20 1.03E-08 1.75E-09 1.92E-08 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 30 91.3 31.8 70.72 1.16E-04 20 3.44E-09 2.18E-09 1.89E-08 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 35 91.35 308.84 22.5 1.02E-04 20 6.25E-09 -7.94E-09 6.75E-09 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 40 91.4 4.03 22.79 2.68E-04 20 2.62E-08 1.89E-09 1.80E-08 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 45 91.45 322.4 49.44 2.01E-04 20 1.10E-08 -8.67E-09 2.65E-08 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 50 91.5 317.34 58.23 1.74E-04 20 7.14E-09 -6.73E-09 2.56E-08 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 55 91.55 312.38 52.66 1.28E-04 20 5.55E-09 -6.22E-09 1.76E-08 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 60 91.6 9.39 37.48 1.08E-04 20 8.96E-09 1.52E-09 1.14E-08 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 65 91.65 350.92 49.38 1.45E-04 20 9.91E-09 -1.62E-09 1.91E-08 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 70 91.7 348.91 57.62 1.72E-04 20 9.58E-09 -1.92E-09 2.52E-08 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 75 91.75 350.5 51.22 2.10E-04 20 1.38E-08 -2.36E-09 2.84E-08 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 80 91.8 8.03 58.5 2.31E-04 20 1.27E-08 1.83E-09 3.42E-08 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 85 91.85 359.88 56.99 2.33E-04 20 1.34E-08 -2.77E-11 3.38E-08 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 90 91.9 341.83 53.1 2.15E-04 20 1.30E-08 -4.37E-09 2.99E-08 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 95 91.95 348.13 55.83 1.97E-04 20 1.15E-08 -2.46E-09 2.82E-08 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 100 92 356.96 56.4 1.83E-04 20 1.08E-08 -5.83E-10 2.65E-08 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 105 92.05 348.93 60.37 1.52E-04 20 7.80E-09 -1.56E-09 2.28E-08 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 110 92.1 6.29 48.5 1.63E-04 20 1.14E-08 1.28E-09 2.11E-08 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 115 92.15 3.01 51.59 1.64E-04 20 1.08E-08 5.78E-10 2.22E-08 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 120 92.2 355.74 50.9 1.84E-04 20 1.23E-08 -9.35E-10 2.48E-08 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 125 92.25 346.62 43.6 3.17E-04 20 2.37E-08 -5.77E-09 3.79E-08 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 130 92.3 3.96 66.4 2.18E-04 20 9.24E-09 6.54E-10 3.47E-08 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 135 92.35 354.82 69.05 1.16E-04 20 4.39E-09 -4.07E-10 1.88E-08 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 140 92.4 351.93 57.6 8.78E-05 20 4.94E-09 -7.16E-10 1.28E-08 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 145 92.45 354.1 45.43 8.22E-05 20 6.09E-09 -6.43E-10 1.02E-08 03/01/97 Yes Yes 3799 172 1058 C 11 H 3 150 92.5 345.17 62.72 5.11E-05 20 2.40E-09 -6.51E-10 7.88E-09 03/01/97 Yes Yes 3799 172 1058 C 11 H 4 0 92.5 1.54 33.63 9.24E-05 20 8.16E-09 2.24E-10 8.88E-09 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 5 92.55 349.74 45.3 1.58E-04 20 1.16E-08 -2.15E-09 1.95E-08 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 10 92.6 1.38 56.17 1.60E-04 20 9.45E-09 2.33E-10 2.30E-08 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 15 92.65 3.62 64.01 1.34E-04 20 6.22E-09 4.02E-10 2.09E-08 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 20 92.7 333.54 73.34 1.09E-04 20 2.98E-09 -1.52E-09 1.82E-08 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 25 92.75 14.16 55.57 1.19E-04 20 6.91E-09 1.78E-09 1.70E-08 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 30 92.8 343.87 70.22 1.11E-04 20 3.83E-09 -1.13E-09 1.81E-08 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 35 92.85 318.49 60.61 9.19E-05 20 3.58E-09 -3.24E-09 1.39E-08 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 40 92.9 339.79 50.49 1.05E-04 20 6.65E-09 -2.50E-09 1.41E-08 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 45 92.95 346.87 44.33 1.26E-04 20 9.30E-09 -2.22E-09 1.52E-08 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 50 93 358.2 52.17 1.21E-04 20 7.87E-09 -2.53E-10 1.66E-08 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 55 93.05 4.51 62.65 9.46E-05 20 4.60E-09 3.71E-10 1.46E-08 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 60 93.1 356.93 47.66 1.00E-04 20 7.14E-09 -3.92E-10 1.28E-08 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 65 93.15 353.37 51.33 8.96E-05 20 5.90E-09 -7.01E-10 1.21E-08 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 70 93.2 14.83 54.72 8.59E-05 20 5.09E-09 1.38E-09 1.22E-08 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 75 93.25 353.02 47.8 9.02E-05 20 6.38E-09 -7.98E-10 1.16E-08 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 80 93.3 353.97 43.34 1.13E-04 20 8.64E-09 -9.34E-10 1.34E-08 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 85 93.35 350.41 49.09 1.16E-04 20 7.91E-09 -1.37E-09 1.51E-08 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 90 93.4 355.96 50.41 1.11E-04 20 7.51E-09 -5.42E-10 1.49E-08 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 95 93.45 352.17 41.62 1.50E-04 20 1.18E-08 -1.65E-09 1.72E-08 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 100 93.5 5.83 60.58 1.51E-04 20 7.85E-09 8.20E-10 2.29E-08 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 105 93.55 355.71 70.21 1.12E-04 20 4.01E-09 -3.08E-10 1.83E-08 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 110 93.6 181.9 37.43 1.26E-04 20 -1.06E-08 -3.61E-10 1.33E-08 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 115 93.65 190.06 9.52 5.50E-04 20 -5.66E-08 -1.03E-08 1.58E-08 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 120 93.7 188.67 7.14 2.08E-03 20 -2.17E-07 -3.38E-08 4.49E-08 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 125 93.75 191.97 27.36 4.03E-03 20 -3.71E-07 -8.05E-08 3.21E-07 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 130 93.8 5.55 37.43 1.84E-02 20 1.54E-06 1.53E-07 1.94E-06 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 135 93.85 8.88 43.79 4.99E-02 20 3.77E-06 6.03E-07 5.98E-06 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 140 93.9 203.97 79.59 1.94E-02 20 -3.39E-07 -1.54E-07 3.30E-06 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 145 93.95 198.82 52.03 4.36E-03 20 -2.69E-07 -9.39E-08 5.96E-07 03/01/97 Yes Yes 3801 172 1058 C 11 H 4 150 94 188.2 63.45 6.31E-04 20 -2.96E-08 -4.36E-09 9.79E-08 03/01/97 Yes Yes 3801 172 1058 C 11 H 5 0 94 358.7 29.91 3.50E-04 20 3.22E-08 -7.49E-10 3.03E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 5 94.05 350.54 47.63 2.43E-04 20 1.71E-08 -2.92E-09 3.11E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 10 94.1 31.96 72 1.54E-04 20 4.28E-09 2.73E-09 2.54E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 15 94.15 8.46 45.93 2.76E-04 20 2.02E-08 3.07E-09 3.44E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 20 94.2 4.86 51.1 2.72E-04 20 1.81E-08 1.57E-09 3.67E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 25 94.25 359.84 47.76 3.03E-04 20 2.16E-08 -6.29E-11 3.89E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 30 94.3 354.51 40.06 4.52E-04 20 3.65E-08 -3.59E-09 5.04E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 35 94.35 356.45 36.76 6.04E-04 20 5.13E-08 -3.25E-09 6.27E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 40 94.4 357.25 48.14 4.30E-04 20 3.04E-08 -1.50E-09 5.55E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 45 94.45 333.07 54.01 2.61E-04 20 1.45E-08 -7.53E-09 3.66E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 50 94.5 4.49 53.05 2.73E-04 20 1.73E-08 1.39E-09 3.78E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 55 94.55 5.32 48.94 3.10E-04 20 2.15E-08 2.05E-09 4.05E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 60 94.6 345.75 53.56 2.81E-04 20 1.71E-08 -4.45E-09 3.91E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 65 94.65 303.31 65.45 2.35E-04 20 5.68E-09 -8.84E-09 3.70E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 70 94.7 333.93 71.95 2.25E-04 20 6.65E-09 -3.33E-09 3.71E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 75 94.75 6.35 64.82 2.64E-04 20 1.18E-08 1.35E-09 4.14E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 80 94.8 152.94 65.45 1.98E-04 20 -7.77E-09 4.06E-09 3.12E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 85 94.85 170.6 60.59 1.65E-04 20 -8.50E-09 1.44E-09 2.50E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 90 94.9 132.63 83.35 1.84E-04 20 -1.53E-09 1.70E-09 3.17E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 95 94.95 354.62 47.86 3.74E-04 20 2.65E-08 -2.55E-09 4.81E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 100 95 353.78 39.29 6.57E-04 20 5.36E-08 -5.98E-09 7.21E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 105 95.05 349.13 39.65 8.38E-04 20 6.72E-08 -1.32E-08 9.26E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 110 95.1 342.42 41.21 8.50E-04 20 6.46E-08 -2.09E-08 9.71E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 115 95.15 352.94 50.47 5.98E-04 20 4.01E-08 -5.07E-09 7.99E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 120 95.2 359.16 44.09 5.53E-04 20 4.21E-08 -6.29E-10 6.67E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 125 95.25 349.73 47.26 4.70E-04 20 3.33E-08 -6.17E-09 5.98E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 130 95.3 2.37 74.79 2.44E-04 20 6.79E-09 2.87E-10 4.09E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 135 95.35 33.94 82.51 2.11E-04 20 2.41E-09 1.66E-09 3.62E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 140 95.4 324.82 81.72 1.96E-04 20 2.45E-09 -1.77E-09 3.37E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 145 95.45 118.57 76.56 1.93E-04 20 -2.27E-09 4.27E-09 3.25E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 5 150 95.5 176.87 66.79 1.26E-04 20 -5.24E-09 2.93E-10 2.00E-08 03/01/97 Yes Yes 3803 172 1058 C 11 H 6 0 95.5 358.57 74.67 1.12E-04 20 3.14E-09 -8.04E-11 1.88E-08 03/01/97 Yes Yes 3805 172 1058 C 11 H 6 5 95.55 358.46 58.56 2.01E-04 20 1.11E-08 -3.05E-10 2.97E-08 03/01/97 Yes Yes 3805 172 1058 C 11 H 6 10 95.6 17.02 73.33 1.38E-04 20 4.01E-09 1.26E-09 2.29E-08 03/01/97 Yes Yes 3805 172 1058 C 11 H 6 15 95.65 80.39 65.25 7.57E-05 20 5.61E-10 3.39E-09 1.19E-08 03/01/97 Yes Yes 3805 172 1058 C 11 H 6 20 95.7 335.35 67.55 1.46E-04 20 5.38E-09 -2.53E-09 2.34E-08 03/01/97 Yes Yes 3805 172 1058 C 11 H 6 25 95.75 233.95 54.06 1.37E-04 20 -5.02E-09 -7.05E-09 1.92E-08 03/01/97 Yes Yes 3805 172 1058 C 11 H 6 30 95.8 221.79 73.81 5.98E-05 20 -1.32E-09 -1.20E-09 9.95E-09 03/01/97 Yes Yes 3805 172 1058 C 11 H 6 35 95.85 61.57 62.29 3.79E-05 20 8.91E-10 1.68E-09 5.82E-09 03/01/97 Yes Yes 3805 172 1058 C 11 H 6 40 95.9 187.5 60.6 4.57E-05 20 -2.36E-09 -3.17E-10 6.90E-09 03/01/97 Yes Yes 3805 172 1058 C 11 H 6 45 95.95 97.33 55.82 3.22E-05 20 -2.45E-10 1.95E-09 4.62E-09 03/01/97 Yes Yes 3805 172 1058 C 11 H 6 50 96 2.21 54.91 5.24E-05 20 3.19E-09 1.26E-10 7.43E-09 03/01/97 Yes Yes 3805 172 1058 C 11 H 6 55 96.05 4.31 54.95 3.47E-05 20 2.11E-09 1.63E-10 4.93E-09 03/01/97 Yes Yes 3805 172 1058 C 11 H 6 60 96.1 263.77 66 3.63E-05 20 -1.70E-10 -1.59E-09 5.74E-09 03/01/97 Yes Yes 3805 172 1058 C 11 H 6 65 96.15 169.56 75.89 3.35E-05 20 -8.53E-10 1.61E-10 5.64E-09 03/01/97 Yes Yes 3805 172 1058 C 11 H 6 70 96.2 69.23 50.7 5.19E-05 20 1.24E-09 3.33E-09 6.96E-09 03/01/97 Yes Yes 3805 172 1058 C 11 H 6 75 96.25 315.93 56.78 6.76E-05 20 2.82E-09 -2.79E-09 9.81E-09 03/01/97 Yes Yes 3805 172 1058 C 11 H 6 80 96.3 326.54 69.24 6.16E-05 20 1.93E-09 -1.31E-09 9.98E-09 03/01/97 Yes Yes 3805 172 1058 C 11 H 6 85 96.35 13.61 64.01 4.98E-05 20 2.25E-09 5.57E-10 7.76E-09 03/01/97 Yes Yes 3805 172 1058 C 11 H 6 90 96.4 357.65 70.5 6.19E-05 20 2.19E-09 -9.19E-11 1.01E-08 03/01/97 Yes Yes 3805 172 1058 C 11 H 6 95 96.45 172.68 81.57 5.51E-05 20 -8.49E-10 1.12E-10 9.45E-09 03/01/97 Yes Yes 3805 172 1058 C 11 H 6 100 96.5 260.19 35.81 6.03E-05 20 -8.83E-10 -5.22E-09 6.11E-09 03/01/97 Yes Yes 3805 172 1058 C 11 H 6 105 96.55 314.13 38.3 8.56E-05 20 4.96E-09 -5.23E-09 9.20E-09 03/01/97 Yes Yes 3805 172 1058 C 11 H 6 110 96.6 271.38 76.54 6.22E-05 20 3.70E-11 -1.57E-09 1.05E-08 03/01/97 Yes Yes 3805 172 1058 C 11 H 6 115 96.65 209 55.91 3.35E-05 20 -1.74E-09 -9.88E-10 4.81E-09 03/01/97 Yes Yes 3805 172 1058 C 11 H 6 120 96.7 163.99 43.71 1.26E-05 20 -9.30E-10 2.73E-10 1.51E-09 03/01/97 Yes Yes 3805 172 1058 C 11 H 6 125 96.75 17.6 81.4 3.11E-05 20 4.70E-10 1.53E-10 5.33E-09 03/01/97 Yes Yes 3805 172 1058 C 11 H 6 130 96.8 297.95 59.04 5.29E-05 20 1.35E-09 -2.61E-09 7.86E-09 03/01/97 Yes Yes 3805 172 1058 C 11 H 6 135 96.85 63.16 64.41 5.75E-05 20 1.19E-09 2.40E-09 8.99E-09 03/01/97 Yes Yes 3805 172 1058 C 11 H 6 140 96.9 250.87 70.7 3.75E-05 20 -4.31E-10 -1.27E-09 6.14E-09 03/01/97 Yes Yes 3805 172 1058 C 11 H 7 0 97 80.78 43.79 4.31E-05 20 5.29E-10 3.33E-09 5.17E-09 03/01/97 Yes Yes 3807 172 1058 C 11 H 7 5 97.05 262.85 19.35 9.47E-05 20 -1.18E-09 -9.61E-09 5.44E-09 03/01/97 Yes Yes 3807 172 1058 C 11 H 7 10 97.1 280.31 57.1 2.19E-05 20 2.26E-10 -1.27E-09 3.19E-09 03/01/97 Yes Yes 3807 172 1058 C 11 H 7 15 97.15 45.14 34.51 3.01E-05 20 1.86E-09 1.91E-09 2.96E-09 03/01/97 Yes Yes 3807 172 1058 C 11 H 7 20 97.2 306.41 29.12 6.86E-05 20 3.77E-09 -5.23E-09 5.79E-09 03/01/97 Yes Yes 3807 172 1058 C 11 H 7 25 97.25 236.46 40.25 4.62E-05 20 -2.06E-09 -3.18E-09 5.17E-09 03/01/97 Yes Yes 3807 172 1058 C 11 H 7 30 97.3 315.53 25.25 5.37E-05 20 3.68E-09 -3.69E-09 3.97E-09 03/01/97 Yes Yes 3807 172 1058 C 11 H 7 35 97.35 14.69 64.99 8.47E-05 20 3.67E-09 9.85E-10 1.33E-08 03/01/97 Yes Yes 3807 172 1058 C 11 H 7 40 97.4 215.92 68.7 6.87E-05 20 -2.14E-09 -1.59E-09 1.11E-08 03/01/97 Yes Yes 3807 172 1058 C 11 H 7 45 97.45 226.16 10.34 1.67E-04 20 -1.21E-08 -1.29E-08 5.20E-09 03/01/97 Yes Yes 3807 172 1058 C 11 H 7 50 97.5 101.7 -5.14 1.62E-04 20 -3.47E-09 1.71E-08 -2.52E-09 03/01/97 Yes Yes 3807 172 1058 C 11 H 7 55 97.55 310.86 11.98 9.56E-04 20 6.49E-08 -7.67E-08 3.44E-08 03/01/97 Yes Yes 3807 172 1058 C 11 H 7 60 97.6 327.86 52.41 1.16E-03 20 6.37E-08 -4.09E-08 1.60E-07 03/01/97 Yes Yes 3807 172 1058 C 11 H 7 65 97.65 150.56 44.72 4.62E-04 20 -3.04E-08 1.75E-08 5.64E-08 03/01/97 Yes Yes 3807 172 1058 C 11 H 7 70 97.7 163.83 4.63 2.90E-04 20 -2.95E-08 8.73E-09 4.06E-09 03/01/97 Yes Yes 3807 172 1058 C 11 H 7 75 97.75 98.56 -20.5 1.53E-04 20 -2.26E-09 1.53E-08 -9.26E-09 03/01/97 Yes Yes 3807 172 1058 C 12 H 1 0 97.5 244.34 -1.23 1.16E-04 20 -5.32E-09 -1.13E-08 -4.32E-10 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 5 97.55 130.91 -20.45 6.14E-04 20 -4.00E-08 4.72E-08 -3.72E-08 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 10 97.6 114.64 -38.5 7.98E-04 20 -2.76E-08 6.16E-08 -8.62E-08 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 15 97.65 66.44 -79.85 4.19E-04 20 3.13E-09 7.33E-09 -7.14E-08 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 20 97.7 223.53 -60.91 3.20E-04 20 -1.20E-08 -1.16E-08 -4.86E-08 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 25 97.75 291.49 -26.49 2.04E-04 20 7.09E-09 -1.84E-08 -1.58E-08 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 30 97.8 330.05 71.48 3.62E-04 20 1.06E-08 -6.23E-09 5.95E-08 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 35 97.85 220.69 81.78 1.05E-03 20 -1.21E-08 -1.07E-08 1.81E-07 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 40 97.9 192.77 72.45 1.54E-03 20 -4.80E-08 -1.11E-08 2.54E-07 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 45 97.95 213.61 73 1.38E-03 20 -3.57E-08 -2.42E-08 2.29E-07 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 50 98 222.82 68.5 1.26E-03 20 -3.60E-08 -3.41E-08 2.04E-07 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 55 98.05 191.81 82.83 8.85E-04 20 -1.15E-08 -2.45E-09 1.52E-07 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 60 98.1 357.25 42.89 7.90E-04 20 6.13E-08 -3.01E-09 9.32E-08 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 65 98.15 30.6 11.03 5.63E-04 20 5.04E-08 3.05E-08 1.87E-08 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 70 98.2 23.28 -28.74 7.54E-04 20 6.44E-08 2.83E-08 -6.29E-08 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 75 98.25 35.63 -38.4 5.26E-04 20 3.55E-08 2.60E-08 -5.66E-08 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 80 98.3 351.68 10.7 2.61E-03 20 2.69E-07 -4.02E-08 8.39E-08 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 85 98.35 2.45 36.4 4.65E-03 20 3.96E-07 1.74E-08 4.78E-07 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 90 98.4 43.65 39.66 3.02E-03 20 1.78E-07 1.74E-07 3.34E-07 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 95 98.45 0.36 22.81 4.90E-03 20 4.79E-07 3.07E-09 3.29E-07 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 100 98.5 357.55 38.76 6.92E-03 20 5.72E-07 -2.50E-08 7.51E-07 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 105 98.55 0.19 58.02 3.69E-03 20 2.07E-07 7.16E-10 5.43E-07 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 110 98.6 34.51 30.44 1.32E-03 20 9.98E-08 7.02E-08 1.16E-07 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 115 98.65 1.89 15.89 2.45E-03 20 2.49E-07 8.41E-09 1.16E-07 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 120 98.7 42.92 4.17 6.94E-03 20 5.38E-07 5.12E-07 8.75E-08 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 125 98.75 13.87 20.58 4.64E-03 20 4.48E-07 1.13E-07 2.83E-07 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 130 98.8 356.79 42.59 7.27E-03 20 5.67E-07 -3.25E-08 8.53E-07 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 135 98.85 20.6 27.55 5.47E-03 20 4.81E-07 1.85E-07 4.38E-07 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 140 98.9 9.17 33.32 6.54E-03 20 5.72E-07 9.44E-08 6.22E-07 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 145 98.95 21.95 19.03 1.26E-02 20 1.17E-06 4.82E-07 7.12E-07 03/01/97 Yes Yes 3809 172 1058 C 12 H 1 150 99 30.78 37.09 1.57E-02 20 1.14E-06 6.96E-07 1.64E-06 03/01/97 Yes Yes 3809 172 1058 C 12 H 2 0 99 5.88 -9.14 2.39E-03 20 2.49E-07 2.62E-08 -6.59E-08 03/01/97 Yes Yes 3811 172 1058 C 12 H 2 5 99.05 17.08 2.6 7.45E-03 20 7.54E-07 2.37E-07 5.86E-08 03/01/97 Yes Yes 3811 172 1058 C 12 H 2 10 99.1 11.5 42.21 5.45E-03 20 4.19E-07 8.73E-08 6.35E-07 03/01/97 Yes Yes 3811 172 1058 C 12 H 2 15 99.15 322.54 50.23 9.57E-03 20 5.15E-07 -4.04E-07 1.27E-06 03/01/97 Yes Yes 3811 172 1058 C 12 H 2 20 99.2 24.35 37.45 1.78E-02 20 1.37E-06 6.33E-07 1.88E-06 03/01/97 Yes Yes 3811 172 1058 C 12 H 2 25 99.25 24.09 55.39 1.39E-02 20 7.63E-07 3.49E-07 1.98E-06 03/01/97 Yes Yes 3811 172 1058 C 12 H 2 30 99.3 280.44 40.24 1.38E-02 20 2.02E-07 -1.12E-06 1.55E-06 03/01/97 Yes Yes 3811 172 1058 C 12 H 2 35 99.35 20.24 33.33 8.99E-03 20 7.47E-07 2.82E-07 8.56E-07 03/01/97 Yes Yes 3811 172 1058 C 12 H 2 40 99.4 34.27 21.69 5.87E-03 20 4.78E-07 3.33E-07 3.76E-07 03/01/97 Yes Yes 3811 172 1058 C 12 H 2 45 99.45 55.17 9.9 3.11E-03 20 1.86E-07 2.73E-07 9.28E-08 03/01/97 Yes Yes 3811 172 1058 C 12 H 2 50 99.5 24.93 62.78 1.99E-03 20 8.78E-08 4.17E-08 3.07E-07 03/01/97 Yes Yes 3811 172 1058 C 12 H 2 55 99.55 16.86 55.04 9.17E-03 20 5.33E-07 1.65E-07 1.30E-06 03/01/97 Yes Yes 3811 172 1058 C 12 H 2 60 99.6 311.25 34.38 3.35E-02 20 1.93E-06 -2.25E-06 3.28E-06 03/01/97 Yes Yes 3811 172 1058 C 12 H 2 65 99.65 337.25 67.24 3.20E-02 20 1.21E-06 -5.20E-07 5.12E-06 03/01/97 Yes Yes 3811 172 1058 C 12 H 2 70 99.7 95.61 59.7 2.31E-02 20 -1.21E-07 1.26E-06 3.45E-06 03/01/97 Yes Yes 3811 172 1058 C 12 H 2 75 99.75 196.27 65.7 9.65E-03 20 -4.04E-07 -1.21E-07 1.52E-06 03/01/97 Yes Yes 3811 172 1058 C 12 H 2 80 99.8 71.52 42.01 2.01E-02 20 5.03E-07 1.54E-06 2.34E-06 03/01/97 Yes Yes 3811 172 1058 C 12 H 2 85 99.85 273.02 75.13 1.65E-02 20 2.37E-08 -4.60E-07 2.77E-06 03/01/97 Yes Yes 3811 172 1058 C 12 H 2 90 99.9 293.61 57.11 1.00E-02 20 2.31E-07 -5.41E-07 1.46E-06 03/01/97 Yes Yes 3811 172 1058 C 12 H 2 95 99.95 35.73 47.52 1.33E-02 20 7.70E-07 5.67E-07 1.69E-06 03/01/97 Yes Yes 3811 172 1058 C 12 H 2 100 100 39.4 75.19 1.44E-02 20 3.03E-07 2.54E-07 2.42E-06 03/01/97 Yes Yes 3811 172 1058 C 12 H 2 105 100.05 317.5 80.09 1.21E-02 20 1.62E-07 -1.52E-07 2.06E-06 03/01/97 Yes Yes 3811 172 1058 C 12 H 2 110 100.1 31.17 65.56 1.40E-02 20 5.26E-07 3.26E-07 2.21E-06 03/01/97 Yes Yes 3811 172 1058 C 12 H 2 115 100.15 31.88 53.14 3.22E-02 20 1.74E-06 1.11E-06 4.46E-06 03/01/97 Yes Yes 3811 172 1058 C 12 H 2 120 100.2 199.41 81.46 2.98E-02 20 -4.43E-07 -1.60E-07 5.11E-06 03/01/97 Yes Yes 3811 172 1058 C 12 H 2 125 100.25 312.33 63.75 2.22E-02 20 7.01E-07 -7.87E-07 3.45E-06 03/01/97 Yes Yes 3811 172 1058 C 12 H 2 130 100.3 40.33 54.45 1.87E-02 20 8.79E-07 7.63E-07 2.64E-06 03/01/97 Yes Yes 3811 172 1058 C 12 H 2 135 100.35 32.52 64.12 1.33E-02 20 5.20E-07 3.39E-07 2.08E-06 03/01/97 Yes Yes 3811 172 1058 C 12 H 2 140 100.4 33.63 71.77 5.50E-03 20 1.52E-07 1.03E-07 9.06E-07 03/01/97 Yes Yes 3811 172 1058 C 12 H 4 0 101.11 17.57 -32.23 4.47E-03 20 3.82E-07 1.24E-07 -4.13E-07 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 5 101.16 10.33 -23.78 8.26E-03 20 7.89E-07 1.47E-07 -5.77E-07 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 10 101.21 14.97 -25.51 7.30E-03 20 6.75E-07 1.84E-07 -5.45E-07 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 15 101.26 19.79 -37.28 4.48E-03 20 3.56E-07 1.31E-07 -4.70E-07 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 20 101.31 19.03 -54.6 2.60E-03 20 1.51E-07 5.32E-08 -3.67E-07 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 25 101.36 5.71 -23.61 4.31E-03 20 4.16E-07 4.26E-08 -2.99E-07 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 30 101.41 11.66 5.99 9.01E-03 20 9.31E-07 1.97E-07 1.63E-07 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 35 101.46 22.92 48.36 9.86E-03 20 6.40E-07 2.77E-07 1.28E-06 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 40 101.51 22.15 79.61 1.50E-02 20 2.65E-07 1.10E-07 2.55E-06 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 45 101.56 216.81 69.83 2.60E-02 20 -7.63E-07 -5.84E-07 4.24E-06 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 50 101.61 318.32 38.95 2.46E-02 20 1.51E-06 -1.38E-06 2.68E-06 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 55 101.66 341.6 50.13 2.31E-02 20 1.49E-06 -5.06E-07 3.07E-06 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 60 101.71 102.16 19.34 5.75E-03 20 -1.21E-07 5.75E-07 3.30E-07 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 65 101.76 31.73 -38.73 5.07E-03 20 3.57E-07 2.26E-07 -5.50E-07 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 70 101.81 13.17 -38.89 5.25E-03 20 4.22E-07 1.01E-07 -5.72E-07 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 75 101.86 14.33 -31.21 5.82E-03 20 5.11E-07 1.34E-07 -5.23E-07 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 80 101.91 14.91 -21.7 6.42E-03 20 6.12E-07 1.67E-07 -4.12E-07 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 85 101.96 13.99 -16.91 5.96E-03 20 5.87E-07 1.50E-07 -3.01E-07 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 90 102.01 10.78 -22.06 3.24E-03 20 3.13E-07 6.10E-08 -2.11E-07 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 95 102.06 20.74 -46.81 1.51E-03 20 1.03E-07 3.98E-08 -1.91E-07 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 100 102.11 18.14 -41.67 1.95E-03 20 1.47E-07 4.92E-08 -2.25E-07 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 105 102.16 19.41 -48.83 2.00E-03 20 1.32E-07 4.74E-08 -2.61E-07 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 110 102.21 27.57 -44.5 3.38E-03 20 2.27E-07 1.21E-07 -4.11E-07 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 115 102.26 16.05 -27.3 5.88E-03 20 5.33E-07 1.57E-07 -4.68E-07 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 120 102.31 13.86 -5.86 5.24E-03 20 5.37E-07 1.36E-07 -9.28E-08 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 125 102.36 39.54 -9.11 2.62E-03 20 2.12E-07 1.79E-07 -7.19E-08 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 130 102.41 31.84 -29.29 3.03E-03 20 2.38E-07 1.51E-07 -2.57E-07 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 135 102.46 16.04 -27.85 2.65E-03 20 2.39E-07 7.02E-08 -2.15E-07 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 140 102.51 9.08 -38.29 1.14E-03 20 9.39E-08 1.53E-08 -1.23E-07 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 145 102.56 19.52 -29.74 8.34E-04 20 7.24E-08 2.62E-08 -7.17E-08 03/01/97 Yes Yes 3813 172 1058 C 12 H 4 150 102.61 29.48 -23.16 5.24E-04 20 4.44E-08 2.57E-08 -3.57E-08 03/01/97 Yes Yes 3813 172 1058 C 12 H 5 0 102.61 4.84 -23.9 5.30E-04 20 5.12E-08 4.44E-09 -3.72E-08 03/01/97 Yes Yes 3815 172 1058 C 12 H 5 5 102.66 15.28 0.97 1.77E-03 20 1.81E-07 5.05E-08 5.20E-09 03/01/97 Yes Yes 3815 172 1058 C 12 H 5 10 102.71 13.87 22.14 1.33E-03 20 1.27E-07 3.20E-08 8.68E-08 03/01/97 Yes Yes 3815 172 1058 C 12 H 5 15 102.76 358.87 10.28 9.54E-04 20 9.96E-08 -2.01E-09 2.95E-08 03/01/97 Yes Yes 3815 172 1058 C 12 H 5 20 102.81 14 -2.26 2.19E-03 20 2.25E-07 5.74E-08 -1.50E-08 03/01/97 Yes Yes 3815 172 1058 C 12 H 5 25 102.86 17.73 -4.84 1.90E-03 20 1.92E-07 6.27E-08 -2.79E-08 03/01/97 Yes Yes 3815 172 1058 C 12 H 5 30 102.91 1.82 -2.38 9.74E-04 20 1.03E-07 3.35E-09 -7.01E-09 03/01/97 Yes Yes 3815 172 1058 C 12 H 5 35 102.96 340.72 10.51 4.63E-04 20 4.56E-08 -1.63E-08 1.47E-08 03/01/97 Yes Yes 3815 172 1058 C 12 H 5 40 103.01 1.31 60.47 3.01E-04 20 1.58E-08 3.68E-10 4.55E-08 03/01/97 Yes Yes 3815 172 1058 C 12 H 5 45 103.06 353.38 65.22 4.09E-04 20 1.81E-08 -2.14E-09 6.44E-08 03/01/97 Yes Yes 3815 172 1058 C 12 H 5 50 103.11 313.21 67.64 4.28E-04 20 1.18E-08 -1.29E-08 6.86E-08 03/01/97 Yes Yes 3815 172 1058 C 12 H 5 55 103.16 248.3 56.6 3.17E-04 20 -6.85E-09 -1.76E-08 4.59E-08 03/01/97 Yes Yes 3815 172 1058 C 12 H 5 60 103.21 8.57 78.57 1.54E-04 20 3.21E-09 4.94E-10 2.62E-08 03/01/97 Yes Yes 3815 172 1058 C 12 H 5 65 103.26 348.35 71.36 2.17E-04 20 7.22E-09 -1.52E-09 3.57E-08 03/01/97 Yes Yes 3815 172 1058 C 12 H 5 70 103.31 266.41 65.5 1.90E-04 20 -5.24E-10 -8.54E-09 3.00E-08 03/01/97 Yes Yes 3815 172 1058 C 12 H 5 75 103.36 358.74 63.83 2.27E-04 20 1.06E-08 -2.38E-10 3.53E-08 03/01/97 Yes Yes 3815 172 1058 C 12 H 5 80 103.41 284.31 77.81 2.44E-04 20 1.35E-09 -5.41E-09 4.13E-08 03/01/97 Yes Yes 3815 172 1058 C 12 H 5 85 103.46 279.18 51.82 1.55E-04 20 1.62E-09 -1.03E-08 2.11E-08 03/01/97 Yes Yes 3815 172 1058 C 12 H 5 90 103.51 7.12 29.39 1.62E-04 20 1.48E-08 1.89E-09 1.38E-08 03/01/97 Yes Yes 3815 172 1058 C 12 H 5 95 103.56 10.58 27 1.62E-04 20 1.50E-08 2.88E-09 1.27E-08 03/01/97 Yes Yes 3815 172 1058 C 12 H 5 100 103.61 272.65 55.73 1.87E-04 20 5.16E-10 -1.14E-08 2.68E-08 03/01/97 Yes Yes 3815 172 1058 C 12 H 5 105 103.66 211.29 48.57 2.10E-04 20 -1.26E-08 -7.83E-09 2.73E-08 03/01/97 Yes Yes 3815 172 1058 C 12 H 5 110 103.71 222.01 51.63 1.37E-04 20 -6.69E-09 -6.17E-09 1.86E-08 03/01/97 Yes Yes 3815 172 1058 C 12 H 5 115 103.76 257.53 32.18 1.09E-04 20 -2.11E-09 -9.74E-09 1.00E-08 03/01/97 Yes Yes 3815 172 1058 C 12 H 5 120 103.81 276.74 52.85 8.10E-05 20 6.09E-10 -5.27E-09 1.12E-08 03/01/97 Yes Yes 3815 172 1058 C 12 H 5 125 103.86 280.35 38.25 1.16E-04 20 1.73E-09 -9.71E-09 1.24E-08 03/01/97 Yes Yes 3815 172 1058 C 12 H 5 130 103.91 322.03 28.46 1.17E-04 20 8.59E-09 -6.85E-09 9.65E-09 03/01/97 Yes Yes 3815 172 1058 C 12 H 5 135 103.96 318.55 30.36 1.10E-04 20 7.57E-09 -6.84E-09 9.67E-09 03/01/97 Yes Yes 3815 172 1058 C 12 H 5 140 104.01 329.73 11.36 7.52E-05 20 6.75E-09 -4.03E-09 2.57E-09 03/01/97 Yes Yes 3815 172 1058 C 12 H 5 145 104.06 343.05 24.01 7.50E-05 20 6.95E-09 -2.17E-09 5.29E-09 03/01/97 Yes Yes 3815 172 1058 C 12 H 6 0 104.11 40.35 14.11 8.56E-05 20 6.71E-09 5.83E-09 3.62E-09 03/01/97 Yes Yes 3817 172 1058 C 12 H 6 5 104.16 28.73 60.46 9.16E-05 20 4.20E-09 2.35E-09 1.38E-08 03/01/97 Yes Yes 3817 172 1058 C 12 H 6 10 104.21 164.69 61.32 1.42E-04 20 -6.98E-09 1.95E-09 2.16E-08 03/01/97 Yes Yes 3817 172 1058 C 12 H 6 15 104.26 297.47 58.29 1.89E-04 20 4.86E-09 -9.55E-09 2.79E-08 03/01/97 Yes Yes 3817 172 1058 C 12 H 6 20 104.31 35.81 43.61 1.62E-04 20 1.01E-08 7.46E-09 1.94E-08 03/01/97 Yes Yes 3817 172 1058 C 12 H 6 25 104.36 26.07 56.85 8.60E-05 20 4.48E-09 2.24E-09 1.25E-08 03/01/97 Yes Yes 3817 172 1058 C 12 H 6 30 104.41 324.83 56.85 8.50E-05 20 4.03E-09 -2.90E-09 1.23E-08 03/01/97 Yes Yes 3817 172 1058 C 12 H 6 35 104.46 79.99 57.05 6.33E-05 20 6.35E-10 3.68E-09 9.20E-09 03/01/97 Yes Yes 3817 172 1058 C 12 H 6 40 104.51 33.41 29.26 9.02E-05 20 6.97E-09 4.70E-09 7.64E-09 03/01/97 Yes Yes 3817 172 1058 C 12 H 6 45 104.56 355.99 45.93 9.27E-05 20 6.82E-09 -4.89E-10 1.16E-08 03/01/97 Yes Yes 3817 172 1058 C 12 H 6 50 104.61 20.59 41.49 5.33E-05 20 3.97E-09 1.52E-09 6.13E-09 03/01/97 Yes Yes 3817 172 1058 C 12 H 6 55 104.66 31.55 24.93 1.39E-04 20 1.14E-08 7.16E-09 1.02E-08 03/01/97 Yes Yes 3817 172 1058 C 12 H 6 60 104.71 213.82 70.95 9.00E-05 20 -2.59E-09 -1.77E-09 1.47E-08 03/01/97 Yes Yes 3817 172 1058 C 12 H 6 65 104.76 285.42 24.52 1.22E-04 20 3.13E-09 -1.16E-08 8.77E-09 03/01/97 Yes Yes 3817 172 1058 C 12 H 6 70 104.81 316.48 36.31 1.18E-04 20 7.29E-09 -7.08E-09 1.21E-08 03/01/97 Yes Yes 3817 172 1058 C 12 H 6 75 104.86 59.91 75.1 6.58E-05 20 8.99E-10 1.59E-09 1.10E-08 03/01/97 Yes Yes 3817 172 1058 C 12 H 6 80 104.91 39.07 33.44 7.25E-05 20 4.98E-09 4.13E-09 6.92E-09 03/01/97 Yes Yes 3817 172 1058 C 12 H 6 85 104.96 21.1 25.76 1.29E-04 20 1.15E-08 4.55E-09 9.74E-09 03/01/97 Yes Yes 3817 172 1058 C 12 H 6 90 105.01 359.02 51.87 8.78E-05 20 5.75E-09 -1.01E-10 1.20E-08 03/01/97 Yes Yes 3817 172 1058 C 12 H 6 95 105.06 305.56 20.87 1.81E-04 20 1.04E-08 -1.49E-08 1.12E-08 03/01/97 Yes Yes 3817 172 1058 C 12 H 6 100 105.11 336.47 63.45 6.71E-05 20 2.91E-09 -1.30E-09 1.04E-08 03/01/97 Yes Yes 3817 172 1058 C 12 H 6 105 105.16 15.01 45.68 6.12E-05 20 4.38E-09 1.20E-09 7.59E-09 03/01/97 Yes Yes 3817 172 1058 C 12 H 6 110 105.21 342.01 54.74 6.01E-05 20 3.50E-09 -1.16E-09 8.50E-09 03/01/97 Yes Yes 3817 172 1058 C 12 H 6 115 105.26 50.3 59.53 6.05E-05 20 2.08E-09 2.56E-09 9.05E-09 03/01/97 Yes Yes 3817 172 1058 C 12 H 6 120 105.31 14.96 57.88 6.15E-05 20 3.35E-09 9.16E-10 9.04E-09 03/01/97 Yes Yes 3817 172 1058 C 12 H 6 125 105.36 47.05 54.3 6.83E-05 20 2.88E-09 3.16E-09 9.61E-09 03/01/97 Yes Yes 3817 172 1058 C 12 H 6 130 105.41 329.06 51.72 1.03E-04 20 5.82E-09 -3.57E-09 1.41E-08 03/01/97 Yes Yes 3817 172 1058 C 12 H 6 135 105.46 12.6 72.37 1.23E-04 20 3.86E-09 8.82E-10 2.03E-08 03/01/97 Yes Yes 3817 172 1058 C 12 H 6 140 105.51 63.54 53.34 1.39E-04 20 3.92E-09 8.06E-09 1.93E-08 03/01/97 Yes Yes 3817 172 1058 C 12 H 6 145 105.56 13.33 53.74 1.27E-04 20 7.73E-09 1.87E-09 1.77E-08 03/01/97 Yes Yes 3817 172 1058 C 12 H 8 0 107.11 5.14 43.42 1.21E-04 20 9.30E-09 8.55E-10 1.45E-08 03/01/97 Yes Yes 3819 172 1058 C 12 H 8 5 107.16 359.54 61.45 1.53E-04 20 7.78E-09 -6.45E-11 2.34E-08 03/01/97 Yes Yes 3819 172 1058 C 12 H 8 10 107.21 343.99 47.74 1.35E-04 20 9.24E-09 -2.71E-09 1.73E-08 03/01/97 Yes Yes 3819 172 1058 C 12 H 8 15 107.26 62.32 80.31 8.45E-05 20 7.01E-10 1.37E-09 1.44E-08 03/01/97 Yes Yes 3819 172 1058 C 12 H 8 20 107.31 119.65 14.8 2.70E-05 20 -1.37E-09 2.46E-09 1.19E-09 03/01/97 Yes Yes 3819 172 1058 C 12 H 8 25 107.36 4.47 -17.31 3.85E-05 20 3.88E-09 3.11E-10 -1.98E-09 03/01/97 Yes Yes 3819 172 1058 C 12 H 8 30 107.41 352.61 -30.81 4.36E-05 20 3.93E-09 -5.22E-10 -3.87E-09 03/01/97 Yes Yes 3819