Table 16B. Continuous split-core remanent measurements for Hole 1062C 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 1062 C 1 H 1 0 0 348.35 29.31 2.22E-03 20 2.01E-07 -4.23E-08 1.88E-07 03/16/97 Yes Yes 172 172 1062 C 1 H 1 5 0.05 78.1 48.95 7.47E-03 20 1.07E-07 5.20E-07 9.76E-07 03/16/97 Yes Yes 172 172 1062 C 1 H 1 10 0.1 117.41 50.32 1.91E-02 20 -5.94E-07 1.17E-06 2.54E-06 03/16/97 Yes Yes 172 172 1062 C 1 H 1 15 0.15 117.67 56.2 2.48E-02 20 -6.80E-07 1.33E-06 3.58E-06 03/16/97 Yes Yes 172 172 1062 C 1 H 1 20 0.2 109.61 63.17 2.44E-02 20 -3.91E-07 1.12E-06 3.77E-06 03/16/97 Yes Yes 172 172 1062 C 1 H 1 25 0.25 106.62 67.47 2.29E-02 20 -2.67E-07 9.14E-07 3.67E-06 03/16/97 Yes Yes 172 172 1062 C 1 H 1 30 0.3 116.32 78.42 1.81E-02 20 -1.71E-07 3.54E-07 3.08E-06 03/16/97 Yes Yes 172 172 1062 C 1 H 1 35 0.35 95.31 82.47 1.37E-02 20 -1.76E-08 1.94E-07 2.35E-06 03/16/97 Yes Yes 172 172 1062 C 1 H 1 40 0.4 88.95 83.23 9.66E-03 20 2.20E-09 1.23E-07 1.66E-06 03/16/97 Yes Yes 172 172 1062 C 1 H 1 45 0.45 121.38 73.26 7.55E-03 20 -1.20E-07 2.01E-07 1.25E-06 03/16/97 Yes Yes 172 172 1062 C 1 H 1 50 0.5 152.3 58.05 6.89E-03 20 -3.43E-07 1.84E-07 1.01E-06 03/16/97 Yes Yes 172 172 1062 C 1 H 1 55 0.55 153.47 61.4 5.68E-03 20 -2.58E-07 1.32E-07 8.64E-07 03/16/97 Yes Yes 172 172 1062 C 1 H 1 60 0.6 161.25 59.04 7.41E-03 20 -3.83E-07 1.33E-07 1.10E-06 03/16/97 Yes Yes 172 172 1062 C 1 H 1 65 0.65 174.87 49.96 1.09E-02 20 -7.39E-07 6.78E-08 1.44E-06 03/16/97 Yes Yes 172 172 1062 C 1 H 1 70 0.7 182.64 46.55 1.20E-02 20 -8.73E-07 -4.12E-08 1.51E-06 03/16/97 Yes Yes 172 172 1062 C 1 H 1 75 0.75 187.04 69.62 5.55E-03 20 -2.04E-07 -2.57E-08 9.03E-07 03/16/97 Yes Yes 172 172 1062 C 1 H 1 80 0.8 172.69 65.87 8.47E-03 20 -3.64E-07 4.78E-08 1.34E-06 03/16/97 Yes Yes 172 172 1062 C 1 H 1 85 0.85 173.81 50.8 1.55E-02 20 -1.03E-06 1.14E-07 2.08E-06 03/16/97 Yes Yes 172 172 1062 C 1 H 1 90 0.9 172.6 50.63 1.95E-02 20 -1.30E-06 1.73E-07 2.61E-06 03/16/97 Yes Yes 172 172 1062 C 1 H 1 95 0.95 170.65 52.8 2.19E-02 20 -1.39E-06 2.33E-07 3.03E-06 03/16/97 Yes Yes 172 172 1062 C 1 H 1 100 1 166.48 54.41 2.23E-02 20 -1.34E-06 3.30E-07 3.15E-06 03/16/97 Yes Yes 172 172 1062 C 1 H 1 105 1.05 163.42 53.61 2.12E-02 20 -1.28E-06 3.89E-07 2.95E-06 03/16/97 Yes Yes 172 172 1062 C 1 H 1 110 1.1 165.63 52.29 1.78E-02 20 -1.12E-06 2.92E-07 2.43E-06 03/16/97 Yes Yes 172 172 1062 C 1 H 1 115 1.15 166.84 56.7 1.34E-02 20 -7.60E-07 1.82E-07 1.94E-06 03/16/97 Yes Yes 172 172 1062 C 1 H 1 120 1.2 159.55 58.09 1.15E-02 20 -6.02E-07 2.30E-07 1.69E-06 03/16/97 Yes Yes 172 172 1062 C 1 H 1 125 1.25 155.69 58.05 1.07E-02 20 -5.47E-07 2.53E-07 1.57E-06 03/16/97 Yes Yes 172 172 1062 C 1 H 1 130 1.3 166.7 61.84 9.90E-03 20 -4.82E-07 1.17E-07 1.51E-06 03/16/97 Yes Yes 172 172 1062 C 1 H 1 135 1.35 178.01 58.8 1.19E-02 20 -6.56E-07 2.33E-08 1.77E-06 03/16/97 Yes Yes 172 172 1062 C 1 H 1 140 1.4 181.84 51.45 1.66E-02 20 -1.10E-06 -3.60E-08 2.25E-06 03/16/97 Yes Yes 172 172 1062 C 1 H 1 145 1.45 172.55 36.48 1.90E-02 20 -1.61E-06 2.15E-07 1.96E-06 03/16/97 Yes Yes 172 172 1062 C 1 H 2 0 1.5 162.5 60.15 5.92E-03 20 -2.98E-07 9.61E-08 8.90E-07 03/16/97 Yes Yes 174 172 1062 C 1 H 2 5 1.55 162.27 40.29 1.64E-02 20 -1.26E-06 4.12E-07 1.83E-06 03/16/97 Yes Yes 174 172 1062 C 1 H 2 10 1.6 155.95 42.8 2.06E-02 20 -1.47E-06 6.69E-07 2.43E-06 03/16/97 Yes Yes 174 172 1062 C 1 H 2 15 1.65 145.06 46 2.14E-02 20 -1.29E-06 9.24E-07 2.67E-06 03/16/97 Yes Yes 174 172 1062 C 1 H 2 20 1.7 144.41 45.14 2.21E-02 20 -1.35E-06 9.85E-07 2.72E-06 03/16/97 Yes Yes 174 172 1062 C 1 H 2 25 1.75 150.94 41.06 2.30E-02 20 -1.61E-06 9.14E-07 2.62E-06 03/16/97 Yes Yes 174 172 1062 C 1 H 2 30 1.8 155.43 36.06 2.38E-02 20 -1.85E-06 8.67E-07 2.43E-06 03/16/97 Yes Yes 174 172 1062 C 1 H 2 35 1.85 162.92 35.83 2.23E-02 20 -1.83E-06 5.76E-07 2.26E-06 03/16/97 Yes Yes 174 172 1062 C 1 H 2 40 1.9 168.15 38.2 2.07E-02 20 -1.69E-06 3.63E-07 2.22E-06 03/16/97 Yes Yes 174 172 1062 C 1 H 2 45 1.95 163.31 44.87 2.01E-02 20 -1.45E-06 4.45E-07 2.46E-06 03/16/97 Yes Yes 174 172 1062 C 1 H 2 50 2 156.18 48.34 2.25E-02 20 -1.45E-06 6.55E-07 2.91E-06 03/16/97 Yes Yes 174 172 1062 C 1 H 2 55 2.05 150.1 49.08 2.44E-02 20 -1.47E-06 8.62E-07 3.19E-06 03/16/97 Yes Yes 174 172 1062 C 1 H 2 60 2.1 143.19 50.02 2.28E-02 20 -1.24E-06 9.52E-07 3.03E-06 03/16/97 Yes Yes 174 172 1062 C 1 H 2 65 2.15 136.08 53.96 2.10E-02 20 -9.44E-07 9.29E-07 2.94E-06 03/16/97 Yes Yes 174 172 1062 C 1 H 2 70 2.2 130.25 49.19 2.15E-02 20 -9.65E-07 1.17E-06 2.83E-06 03/16/97 Yes Yes 174 172 1062 C 1 H 2 75 2.25 132.89 40.36 2.25E-02 20 -1.24E-06 1.37E-06 2.53E-06 03/16/97 Yes Yes 174 172 1062 C 1 H 2 80 2.3 133.63 38.23 1.97E-02 20 -1.13E-06 1.21E-06 2.11E-06 03/16/97 Yes Yes 174 172 1062 C 1 H 2 85 2.35 134.56 36.39 2.16E-02 20 -1.29E-06 1.34E-06 2.22E-06 03/16/97 Yes Yes 174 172 1062 C 1 H 2 90 2.4 136.29 36.59 2.11E-02 20 -1.30E-06 1.27E-06 2.18E-06 03/16/97 Yes Yes 174 172 1062 C 1 H 2 95 2.45 132.9 36.63 1.83E-02 20 -1.06E-06 1.17E-06 1.89E-06 03/16/97 Yes Yes 174 172 1062 C 1 H 2 100 2.5 125.8 34.73 1.60E-02 20 -8.16E-07 1.16E-06 1.58E-06 03/16/97 Yes Yes 174 172 1062 C 1 H 2 105 2.55 127.7 30.43 1.49E-02 20 -8.33E-07 1.10E-06 1.31E-06 03/16/97 Yes Yes 174 172 1062 C 1 H 2 110 2.6 135.3 27.89 1.24E-02 20 -8.24E-07 8.34E-07 1.00E-06 03/16/97 Yes Yes 174 172 1062 C 1 H 2 115 2.65 143.37 29.38 1.18E-02 20 -8.73E-07 6.64E-07 1.00E-06 03/16/97 Yes Yes 174 172 1062 C 1 H 2 120 2.7 148.58 35.36 1.25E-02 20 -9.23E-07 5.76E-07 1.25E-06 03/16/97 Yes Yes 174 172 1062 C 1 H 2 125 2.75 147.37 40.83 1.38E-02 20 -9.35E-07 6.12E-07 1.57E-06 03/16/97 Yes Yes 174 172 1062 C 1 H 2 130 2.8 139.61 46.51 1.49E-02 20 -8.30E-07 7.22E-07 1.88E-06 03/16/97 Yes Yes 174 172 1062 C 1 H 2 135 2.85 130.37 51.9 1.55E-02 20 -6.56E-07 7.90E-07 2.11E-06 03/16/97 Yes Yes 174 172 1062 C 1 H 2 140 2.9 132.42 47.98 1.68E-02 20 -8.03E-07 8.99E-07 2.16E-06 03/16/97 Yes Yes 174 172 1062 C 1 H 2 145 2.95 125.82 36.58 1.72E-02 20 -8.56E-07 1.21E-06 1.77E-06 03/16/97 Yes Yes 174 172 1062 C 1 H 2 150 3 124.48 38.57 9.18E-03 20 -4.31E-07 6.42E-07 9.93E-07 03/16/97 Yes Yes 174 172 1062 C 1 H 3 0 3 103.96 56.13 6.05E-03 20 -8.64E-08 3.55E-07 8.71E-07 03/16/97 Yes Yes 176 172 1062 C 1 H 3 5 3.05 115.51 39.03 1.58E-02 20 -5.59E-07 1.20E-06 1.72E-06 03/16/97 Yes Yes 176 172 1062 C 1 H 3 10 3.1 118.2 36.24 1.76E-02 20 -7.12E-07 1.36E-06 1.80E-06 03/16/97 Yes Yes 176 172 1062 C 1 H 3 15 3.15 116.26 33.54 1.57E-02 20 -6.13E-07 1.27E-06 1.50E-06 03/16/97 Yes Yes 176 172 1062 C 1 H 3 20 3.2 114.29 35.21 1.26E-02 20 -4.48E-07 1.02E-06 1.26E-06 03/16/97 Yes Yes 176 172 1062 C 1 H 3 25 3.25 109.48 30.36 1.14E-02 20 -3.48E-07 1.01E-06 9.99E-07 03/16/97 Yes Yes 176 172 1062 C 1 H 3 30 3.3 111.52 22.42 1.27E-02 20 -4.57E-07 1.18E-06 8.40E-07 03/16/97 Yes Yes 176 172 1062 C 1 H 3 35 3.35 116.82 19.11 1.18E-02 20 -5.33E-07 1.08E-06 6.69E-07 03/16/97 Yes Yes 176 172 1062 C 1 H 3 40 3.4 121.58 22.54 8.44E-03 20 -4.33E-07 7.21E-07 5.61E-07 03/16/97 Yes Yes 176 172 1062 C 1 H 3 45 3.45 118.91 27.44 8.30E-03 20 -3.78E-07 6.99E-07 6.63E-07 03/16/97 Yes Yes 176 172 1062 C 1 H 3 50 3.5 115.63 32.43 1.16E-02 20 -4.49E-07 9.58E-07 1.08E-06 03/16/97 Yes Yes 176 172 1062 C 1 H 3 55 3.55 116.51 30.44 1.55E-02 20 -6.33E-07 1.30E-06 1.36E-06 03/16/97 Yes Yes 176 172 1062 C 1 H 3 60 3.6 113.51 30.13 1.51E-02 20 -5.51E-07 1.30E-06 1.31E-06 03/16/97 Yes Yes 176 172 1062 C 1 H 3 65 3.65 102.47 30.94 1.50E-02 20 -2.94E-07 1.36E-06 1.33E-06 03/16/97 Yes Yes 176 172 1062 C 1 H 3 70 3.7 95.15 30.17 1.63E-02 20 -1.35E-07 1.53E-06 1.42E-06 03/16/97 Yes Yes 176 172 1062 C 1 H 3 75 3.75 99.3 29.12 1.62E-02 20 -2.43E-07 1.52E-06 1.37E-06 03/16/97 Yes Yes 176 172 1062 C 1 H 3 80 3.8 105.13 27.26 1.32E-02 20 -3.26E-07 1.23E-06 1.05E-06 03/16/97 Yes Yes 176 172 1062 C 1 H 3 85 3.85 107.04 27.1 1.16E-02 20 -3.22E-07 1.07E-06 9.18E-07 03/16/97 Yes Yes 176 172 1062 C 1 H 3 90 3.9 112.31 26.18 1.34E-02 20 -4.85E-07 1.21E-06 1.03E-06 03/16/97 Yes Yes 176 172 1062 C 1 H 3 95 3.95 108.15 27.57 1.07E-02 20 -3.14E-07 9.80E-07 8.61E-07 03/16/97 Yes Yes 176 172 1062 C 1 H 3 100 4 104.81 38.25 9.84E-03 20 -2.09E-07 8.10E-07 1.06E-06 03/16/97 Yes Yes 176 172 1062 C 1 H 3 105 4.05 112.92 40.22 1.16E-02 20 -3.66E-07 8.84E-07 1.30E-06 03/16/97 Yes Yes 176 172 1062 C 1 H 3 110 4.1 118.95 41.66 1.38E-02 20 -5.30E-07 9.79E-07 1.59E-06 03/16/97 Yes Yes 176 172 1062 C 1 H 3 115 4.15 123.37 42.43 1.66E-02 20 -7.17E-07 1.11E-06 1.95E-06 03/16/97 Yes Yes 176 172 1062 C 1 H 3 120 4.2 120.14 39.88 1.89E-02 20 -7.73E-07 1.36E-06 2.10E-06 03/16/97 Yes Yes 176 172 1062 C 1 H 3 125 4.25 120.93 39.43 1.78E-02 20 -7.49E-07 1.28E-06 1.96E-06 03/16/97 Yes Yes 176 172 1062 C 1 H 3 130 4.3 102.4 41.85 1.63E-02 20 -2.76E-07 1.28E-06 1.88E-06 03/16/97 Yes Yes 176 172 1062 C 1 H 3 135 4.35 100.42 42.86 1.79E-02 20 -2.52E-07 1.40E-06 2.12E-06 03/16/97 Yes Yes 176 172 1062 C 1 H 3 140 4.4 99.66 33.89 2.06E-02 20 -3.04E-07 1.83E-06 1.99E-06 03/16/97 Yes Yes 176 172 1062 C 1 H 3 145 4.45 99.46 27.02 1.88E-02 20 -2.92E-07 1.80E-06 1.48E-06 03/16/97 Yes Yes 176 172 1062 C 1 H 3 150 4.5 103.08 37.04 8.07E-03 20 -1.55E-07 6.80E-07 8.43E-07 03/16/97 Yes Yes 176 172 1062 C 1 H 4 0 4.5 101.6 28.24 4.41E-03 20 -8.28E-08 4.13E-07 3.61E-07 03/16/97 Yes Yes 178 172 1062 C 1 H 4 5 4.55 89.6 20.03 1.48E-02 20 1.02E-08 1.51E-06 8.79E-07 03/16/97 Yes Yes 178 172 1062 C 1 H 4 10 4.6 89.71 24.12 1.90E-02 20 9.37E-09 1.88E-06 1.35E-06 03/16/97 Yes Yes 178 172 1062 C 1 H 4 15 4.65 88.56 15.31 2.05E-02 20 5.27E-08 2.14E-06 9.38E-07 03/16/97 Yes Yes 178 172 1062 C 1 H 4 20 4.7 86.11 4.41 2.44E-02 20 1.75E-07 2.63E-06 3.25E-07 03/16/97 Yes Yes 178 172 1062 C 1 H 4 25 4.75 85.32 -2.72 2.07E-02 20 1.79E-07 2.24E-06 -1.71E-07 03/16/97 Yes Yes 178 172 1062 C 1 H 4 30 4.8 87.21 -7.62 1.28E-02 20 6.54E-08 1.37E-06 -2.94E-07 03/16/97 Yes Yes 178 172 1062 C 1 H 4 35 4.85 86 -1.9 6.68E-03 20 4.94E-08 7.22E-07 -3.84E-08 03/16/97 Yes Yes 178 172 1062 C 1 H 4 40 4.9 96.43 19.02 7.86E-03 20 -8.83E-08 8.01E-07 4.44E-07 03/16/97 Yes Yes 178 172 1062 C 1 H 4 45 4.95 105.28 22.67 1.18E-02 20 -3.04E-07 1.14E-06 7.88E-07 03/16/97 Yes Yes 178 172 1062 C 1 H 4 50 5 101.98 27.67 1.45E-02 20 -2.84E-07 1.37E-06 1.17E-06 03/16/97 Yes Yes 178 172 1062 C 1 H 4 55 5.05 102.45 27.31 1.88E-02 20 -3.82E-07 1.77E-06 1.50E-06 03/16/97 Yes Yes 178 172 1062 C 1 H 4 60 5.1 100.95 25.89 2.14E-02 20 -3.88E-07 2.05E-06 1.62E-06 03/16/97 Yes Yes 178 172 1062 C 1 H 4 65 5.15 103.35 29.84 1.81E-02 20 -3.86E-07 1.66E-06 1.57E-06 03/16/97 Yes Yes 178 172 1062 C 1 H 4 70 5.2 104.73 35.41 1.57E-02 20 -3.45E-07 1.34E-06 1.58E-06 03/16/97 Yes Yes 178 172 1062 C 1 H 4 75 5.25 106.62 35.62 1.80E-02 20 -4.44E-07 1.52E-06 1.82E-06 03/16/97 Yes Yes 178 172 1062 C 1 H 4 80 5.3 115.25 35.13 2.18E-02 20 -8.08E-07 1.75E-06 2.18E-06 03/16/97 Yes Yes 178 172 1062 C 1 H 4 85 5.35 109.24 43.35 2.16E-02 20 -5.50E-07 1.61E-06 2.58E-06 03/16/97 Yes Yes 178 172 1062 C 1 H 4 90 5.4 93.53 42.6 2.31E-02 20 -1.11E-07 1.84E-06 2.71E-06 03/16/97 Yes Yes 178 172 1062 C 1 H 4 95 5.45 86.3 35.4 2.57E-02 20 1.44E-07 2.27E-06 2.59E-06 03/16/97 Yes Yes 178 172 1062 C 1 H 4 100 5.5 83.57 30.88 2.59E-02 20 2.64E-07 2.39E-06 2.30E-06 03/16/97 Yes Yes 178 172 1062 C 1 H 4 105 5.55 82.36 31.48 2.21E-02 20 2.66E-07 2.03E-06 2.00E-06 03/16/97 Yes Yes 178 172 1062 C 1 H 4 110 5.6 90.81 33.93 2.06E-02 20 -2.58E-08 1.85E-06 1.99E-06 03/16/97 Yes Yes 178 172 1062 C 1 H 4 115 5.65 103.92 35.72 2.13E-02 20 -4.41E-07 1.82E-06 2.16E-06 03/16/97 Yes Yes 178 172 1062 C 1 H 4 120 5.7 103.77 33.14 2.39E-02 20 -5.05E-07 2.11E-06 2.27E-06 03/16/97 Yes Yes 178 172 1062 C 1 H 4 125 5.75 93.98 31.01 2.43E-02 20 -1.54E-07 2.26E-06 2.17E-06 03/16/97 Yes Yes 178 172 1062 C 1 H 4 130 5.8 85.79 34.25 2.13E-02 20 1.37E-07 1.91E-06 2.08E-06 03/16/97 Yes Yes 178 172 1062 C 1 H 4 135 5.85 87.22 34.43 2.01E-02 20 8.53E-08 1.80E-06 1.97E-06 03/16/97 Yes Yes 178 172 1062 C 1 H 4 140 5.9 87.03 33.43 1.86E-02 20 8.50E-08 1.68E-06 1.77E-06 03/16/97 Yes Yes 178 172 1062 C 1 H 4 145 5.95 91.69 35.79 1.56E-02 20 -3.95E-08 1.37E-06 1.58E-06 03/16/97 Yes Yes 178 172 1062 C 1 H 4 150 6 100.29 50.25 5.64E-03 20 -6.84E-08 3.85E-07 7.52E-07 03/16/97 Yes Yes 178 172 1062 C 1 H 5 0 6 107.23 32.58 2.41E-03 20 -6.38E-08 2.10E-07 2.25E-07 03/16/97 Yes Yes 180 172 1062 C 1 H 5 5 6.05 93.33 10 8.69E-03 20 -5.27E-08 9.26E-07 2.62E-07 03/16/97 Yes Yes 180 172 1062 C 1 H 5 10 6.1 84.55 10.48 1.05E-02 20 1.04E-07 1.11E-06 3.31E-07 03/16/97 Yes Yes 180 172 1062 C 1 H 5 15 6.15 84.2 20.03 1.07E-02 20 1.08E-07 1.08E-06 6.35E-07 03/16/97 Yes Yes 180 172 1062 C 1 H 5 20 6.2 92.09 31.22 1.17E-02 20 -3.87E-08 1.09E-06 1.05E-06 03/16/97 Yes Yes 180 172 1062 C 1 H 5 25 6.25 110.39 31.47 1.52E-02 20 -4.78E-07 1.31E-06 1.37E-06 03/16/97 Yes Yes 180 172 1062 C 1 H 5 30 6.3 115.19 29.53 1.61E-02 20 -6.31E-07 1.37E-06 1.37E-06 03/16/97 Yes Yes 180 172 1062 C 1 H 5 35 6.35 117.69 25.92 1.64E-02 20 -7.26E-07 1.41E-06 1.24E-06 03/16/97 Yes Yes 180 172 1062 C 1 H 5 40 6.4 114.29 21.9 1.60E-02 20 -6.48E-07 1.47E-06 1.04E-06 03/16/97 Yes Yes 180 172 1062 C 1 H 5 45 6.45 112.03 21.97 1.43E-02 20 -5.28E-07 1.33E-06 9.28E-07 03/16/97 Yes Yes 180 172 1062 C 1 H 5 50 6.5 103.99 26.02 1.16E-02 20 -2.67E-07 1.10E-06 8.81E-07 03/16/97 Yes Yes 180 172 1062 C 1 H 5 55 6.55 105.1 33.15 8.38E-03 20 -1.94E-07 7.35E-07 7.95E-07 03/16/97 Yes Yes 180 172 1062 C 1 H 5 60 6.6 96.35 22.63 8.89E-03 20 -9.62E-08 8.84E-07 5.93E-07 03/16/97 Yes Yes 180 172 1062 C 1 H 5 65 6.65 102.08 20.77 1.00E-02 20 -2.08E-07 9.95E-07 6.17E-07 03/16/97 Yes Yes 180 172 1062 C 1 H 5 70 6.7 114.44 12.92 1.06E-02 20 -4.54E-07 1.02E-06 4.11E-07 03/16/97 Yes Yes 180 172 1062 C 1 H 5 75 6.75 103.5 7.56 1.50E-02 20 -3.69E-07 1.57E-06 3.43E-07 03/16/97 Yes Yes 180 172 1062 C 1 H 5 80 6.8 93.84 9.13 1.69E-02 20 -1.18E-07 1.80E-06 4.64E-07 03/16/97 Yes Yes 180 172 1062 C 1 H 5 85 6.85 82.72 19.85 1.32E-02 20 1.67E-07 1.34E-06 7.79E-07 03/16/97 Yes Yes 180 172 1062 C 1 H 5 90 6.9 81.67 32.45 1.25E-02 20 1.62E-07 1.13E-06 1.17E-06 03/16/97 Yes Yes 180 172 1062 C 1 H 5 95 6.95 78.01 39.98 1.37E-02 20 2.32E-07 1.11E-06 1.53E-06 03/16/97 Yes Yes 180 172 1062 C 1 H 5 100 7 84.93 49.27 1.63E-02 20 9.95E-08 1.15E-06 2.14E-06 03/16/97 Yes Yes 180 172 1062 C 1 H 5 105 7.05 91.58 53.03 1.66E-02 20 -2.92E-08 1.08E-06 2.30E-06 03/16/97 Yes Yes 180 172 1062 C 1 H 5 110 7.1 89.92 55.05 1.48E-02 20 1.25E-09 9.20E-07 2.10E-06 03/16/97 Yes Yes 180 172 1062 C 1 H 5 115 7.15 92.06 59.47 1.30E-02 20 -2.51E-08 7.15E-07 1.94E-06 03/16/97 Yes Yes 180 172 1062 C 1 H 5 120 7.2 101.25 63.29 1.26E-02 20 -1.17E-07 6.01E-07 1.95E-06 03/16/97 Yes Yes 180 172 1062 C 1 H 5 125 7.25 117.74 65.56 1.30E-02 20 -2.66E-07 5.17E-07 2.05E-06 03/16/97 Yes Yes 180 172 1062 C 1 H 5 130 7.3 121.93 57.7 1.30E-02 20 -3.91E-07 6.42E-07 1.91E-06 03/16/97 Yes Yes 180 172 1062 C 1 H 5 135 7.35 106.91 52.03 1.17E-02 20 -2.23E-07 7.49E-07 1.60E-06 03/16/97 Yes Yes 180 172 1062 C 1 H 5 140 7.4 91.34 43.39 1.12E-02 20 -2.02E-08 8.82E-07 1.33E-06 03/16/97 Yes Yes 180 172 1062 C 1 H 5 145 7.45 74.2 37.28 7.80E-03 20 1.79E-07 6.47E-07 8.19E-07 03/16/97 Yes Yes 180 172 1062 C 1 H 6 0 7.5 98.2 -17.81 1.08E-03 20 -1.55E-08 1.10E-07 -5.70E-08 03/16/97 Yes Yes 182 172 1062 C 1 H 6 5 7.55 75.45 -31.72 2.66E-03 20 6.02E-08 2.37E-07 -2.42E-07 03/16/97 Yes Yes 182 172 1062 C 1 H 6 10 7.6 108.5 -49.64 2.08E-03 20 -4.53E-08 1.38E-07 -2.75E-07 03/16/97 Yes Yes 182 172 1062 C 1 H 6 15 7.65 120.26 -60.02 2.79E-03 20 -7.46E-08 1.31E-07 -4.19E-07 03/16/97 Yes Yes 182 172 1062 C 1 H 6 20 7.7 64.85 -36.75 2.67E-03 20 9.65E-08 2.10E-07 -2.77E-07 03/16/97 Yes Yes 182 172 1062 C 1 H 6 25 7.75 61.23 -12.5 4.02E-03 20 2.00E-07 3.73E-07 -1.51E-07 03/16/97 Yes Yes 182 172 1062 C 1 H 6 30 7.8 88.81 -3.85 4.73E-03 20 1.04E-08 5.12E-07 -5.51E-08 03/16/97 Yes Yes 182 172 1062 C 1 H 6 35 7.85 105.89 -13.62 5.53E-03 20 -1.56E-07 5.61E-07 -2.26E-07 03/16/97 Yes Yes 182 172 1062 C 1 H 6 40 7.9 110.87 -8.55 6.09E-03 20 -2.28E-07 6.10E-07 -1.57E-07 03/16/97 Yes Yes 182 172 1062 C 1 H 6 45 7.95 127.05 -9.08 5.20E-03 20 -3.28E-07 4.44E-07 -1.42E-07 03/16/97 Yes Yes 182 172 1062 C 1 H 6 50 8 112.96 -21.19 5.85E-03 20 -2.26E-07 5.45E-07 -3.67E-07 03/16/97 Yes Yes 182 172 1062 C 1 H 6 55 8.05 105.63 -26.12 5.48E-03 20 -1.41E-07 5.14E-07 -4.18E-07 03/16/97 Yes Yes 182 172 1062 C 1 H 6 60 8.1 129.11 -10.7 4.52E-03 20 -2.97E-07 3.74E-07 -1.45E-07 03/16/97 Yes Yes 182 172 1062 C 1 H 6 65 8.15 117.12 6.59 7.15E-03 20 -3.43E-07 6.86E-07 1.42E-07 03/16/97 Yes Yes 182 172 1062 C 1 H 6 70 8.2 104.76 29.41 1.28E-02 20 -3.02E-07 1.17E-06 1.09E-06 03/16/97 Yes Yes 182 172 1062 C 1 H 6 75 8.25 116.16 29.73 1.85E-02 20 -7.52E-07 1.57E-06 1.59E-06 03/16/97 Yes Yes 182 172 1062 C 1 H 6 80 8.3 121.89 28.19 2.06E-02 20 -1.02E-06 1.67E-06 1.69E-06 03/16/97 Yes Yes 182 172 1062 C 1 H 6 85 8.35 121.24 28.26 1.86E-02 20 -9.01E-07 1.52E-06 1.53E-06 03/16/97 Yes Yes 182 172 1062 C 1 H 6 90 8.4 116.47 36.37 1.41E-02 20 -5.38E-07 1.10E-06 1.45E-06 03/16/97 Yes Yes 182 172 1062 C 1 H 6 95 8.45 125.58 37.1 1.31E-02 20 -6.47E-07 9.25E-07 1.37E-06 03/16/97 Yes Yes 182 172 1062 C 1 H 6 100 8.5 118.2 33.95 1.40E-02 20 -5.81E-07 1.11E-06 1.35E-06 03/16/97 Yes Yes 182 172 1062 C 1 H 6 105 8.55 104.51 39.8 1.33E-02 20 -2.72E-07 1.07E-06 1.48E-06 03/16/97 Yes Yes 182 172 1062 C 1 H 6 110 8.6 97.29 38.84 1.37E-02 20 -1.44E-07 1.15E-06 1.49E-06 03/16/97 Yes Yes 182 172 1062 C 1 H 6 115 8.65 95.18 36.49 1.33E-02 20 -1.02E-07 1.15E-06 1.37E-06 03/16/97 Yes Yes 182 172 1062 C 1 H 6 120 8.7 89.84 35.52 1.26E-02 20 3.01E-09 1.11E-06 1.27E-06 03/16/97 Yes Yes 182 172 1062 C 1 H 6 125 8.75 100.66 50.14 1.29E-02 20 -1.63E-07 8.84E-07 1.72E-06 03/16/97 Yes Yes 182 172 1062 C 1 H 6 130 8.8 132.87 49.42 1.50E-02 20 -7.04E-07 7.75E-07 1.97E-06 03/16/97 Yes Yes 182 172 1062 C 1 H 6 135 8.85 122.18 48.95 1.53E-02 20 -5.67E-07 9.22E-07 2.00E-06 03/16/97 Yes Yes 182 172 1062 C 1 H 6 140 8.9 113.23 45.18 1.75E-02 20 -5.15E-07 1.23E-06 2.15E-06 03/16/97 Yes Yes 182 172 1062 C 1 H 6 145 8.95 120.76 36.88 2.07E-02 20 -8.99E-07 1.54E-06 2.16E-06 03/16/97 Yes Yes 182 172 1062 C 1 H 6 150 9 132.14 33.65 1.23E-02 20 -7.26E-07 8.21E-07 1.18E-06 03/16/97 Yes Yes 182 172 1062 C 2 H 1 0 9.4 214.13 60.24 2.20E-02 20 -9.59E-07 -6.65E-07 3.31E-06 03/16/97 Yes Yes 184 172 1062 C 2 H 1 5 9.45 192.26 39.4 4.41E-02 20 -3.53E-06 -7.84E-07 4.85E-06 03/16/97 Yes Yes 184 172 1062 C 2 H 1 10 9.5 95.25 53.9 1.92E-02 20 -1.10E-07 1.22E-06 2.68E-06 03/16/97 Yes Yes 184 172 1062 C 2 H 1 15 9.55 38.86 43.91 2.44E-02 20 1.45E-06 1.19E-06 2.93E-06 03/16/97 Yes Yes 184 172 1062 C 2 H 1 20 9.6 60.92 59.74 2.49E-02 20 6.47E-07 1.19E-06 3.73E-06 03/16/97 Yes Yes 184 172 1062 C 2 H 1 25 9.65 66.15 64.11 2.51E-02 20 4.70E-07 1.09E-06 3.92E-06 03/16/97 Yes Yes 184 172 1062 C 2 H 1 30 9.7 74.7 64.59 2.44E-02 20 2.93E-07 1.09E-06 3.82E-06 03/16/97 Yes Yes 184 172 1062 C 2 H 1 35 9.75 69.79 68.11 2.16E-02 20 2.95E-07 8.19E-07 3.47E-06 03/16/97 Yes Yes 184 172 1062 C 2 H 1 40 9.8 70.28 64.36 2.24E-02 20 3.47E-07 9.89E-07 3.50E-06 03/16/97 Yes Yes 184 172 1062 C 2 H 1 45 9.85 61.89 62.72 2.37E-02 20 5.44E-07 1.04E-06 3.66E-06 03/16/97 Yes Yes 184 172 1062 C 2 H 1 50 9.9 68.19 62.41 2.35E-02 20 4.30E-07 1.10E-06 3.62E-06 03/16/97 Yes Yes 184 172 1062 C 2 H 1 55 9.95 72.9 61.35 1.94E-02 20 2.90E-07 9.64E-07 2.95E-06 03/16/97 Yes Yes 184 172 1062 C 2 H 1 60 10 66.79 50.9 1.89E-02 20 4.98E-07 1.19E-06 2.54E-06 03/16/97 Yes Yes 184 172 1062 C 2 H 1 65 10.05 66.37 46.34 1.72E-02 20 5.05E-07 1.18E-06 2.16E-06 03/16/97 Yes Yes 184 172 1062 C 2 H 1 70 10.1 59.3 40.98 1.38E-02 20 5.64E-07 9.71E-07 1.57E-06 03/16/97 Yes Yes 184 172 1062 C 2 H 1 75 10.15 51.69 41.51 1.24E-02 20 6.10E-07 7.89E-07 1.42E-06 03/16/97 Yes Yes 184 172 1062 C 2 H 1 80 10.2 57.9 41.29 1.45E-02 20 6.14E-07 1.00E-06 1.66E-06 03/16/97 Yes Yes 184 172 1062 C 2 H 1 85 10.25 57.41 35.86 1.83E-02 20 8.46E-07 1.35E-06 1.86E-06 03/16/97 Yes Yes 184 172 1062 C 2 H 1 90 10.3 51.83 40.36 1.98E-02 20 9.91E-07 1.29E-06 2.23E-06 03/16/97 Yes Yes 184 172 1062 C 2 H 1 95 10.35 53.45 46.98 2.17E-02 20 9.35E-07 1.29E-06 2.75E-06 03/16/97 Yes Yes 184 172 1062 C 2 H 1 100 10.4 56.32 47.55 2.39E-02 20 9.50E-07 1.46E-06 3.06E-06 03/16/97 Yes Yes 184 172 1062 C 2 H 1 105 10.45 53.48 47.16 2.38E-02 20 1.02E-06 1.41E-06 3.03E-06 03/16/97 Yes Yes 184 172 1062 C 2 H 1 110 10.5 51.7 51.68 1.96E-02 20 7.98E-07 1.03E-06 2.66E-06 03/16/97 Yes Yes 184 172 1062 C 2 H 1 115 10.55 45.34 49.89 1.63E-02 20 7.82E-07 8.09E-07 2.16E-06 03/16/97 Yes Yes 184 172 1062 C 2 H 1 120 10.6 45.29 41.64 1.76E-02 20 9.81E-07 1.01E-06 2.03E-06 03/16/97 Yes Yes 184 172 1062 C 2 H 1 125 10.65 39.13 45.06 1.49E-02 20 8.64E-07 7.19E-07 1.82E-06 03/16/97 Yes Yes 184 172 1062 C 2 H 1 130 10.7 32.57 39.07 1.27E-02 20 8.84E-07 5.77E-07 1.39E-06 03/16/97 Yes Yes 184 172 1062 C 2 H 1 135 10.75 40.42 22.57 1.46E-02 20 1.09E-06 9.45E-07 9.69E-07 03/16/97 Yes Yes 184 172 1062 C 2 H 1 140 10.8 53.66 18.59 1.44E-02 20 8.56E-07 1.19E-06 7.94E-07 03/16/97 Yes Yes 184 172 1062 C 2 H 1 145 10.85 61.57 23.92 1.21E-02 20 5.57E-07 1.05E-06 8.48E-07 03/16/97 Yes Yes 184 172 1062 C 2 H 1 150 10.9 65.86 38.89 4.78E-03 20 1.61E-07 3.68E-07 5.20E-07 03/16/97 Yes Yes 184 172 1062 C 2 H 2 0 10.9 40.23 26.93 3.89E-03 20 2.81E-07 2.43E-07 3.05E-07 03/16/97 Yes Yes 186 172 1062 C 2 H 2 5 10.95 45.55 21.26 9.81E-03 20 6.79E-07 7.08E-07 6.17E-07 03/16/97 Yes Yes 186 172 1062 C 2 H 2 10 11 46.77 31.05 7.10E-03 20 4.42E-07 4.81E-07 6.35E-07 03/16/97 Yes Yes 186 172 1062 C 2 H 2 15 11.05 39.02 52.29 5.06E-03 20 2.55E-07 2.11E-07 6.94E-07 03/16/97 Yes Yes 186 172 1062 C 2 H 2 20 11.1 42.37 57.61 5.57E-03 20 2.34E-07 2.18E-07 8.15E-07 03/16/97 Yes Yes 186 172 1062 C 2 H 2 25 11.15 43.52 49.89 5.91E-03 20 2.93E-07 2.85E-07 7.84E-07 03/16/97 Yes Yes 186 172 1062 C 2 H 2 30 11.2 36.05 47.68 6.03E-03 20 3.48E-07 2.59E-07 7.73E-07 03/16/97 Yes Yes 186 172 1062 C 2 H 2 35 11.25 23.63 47.85 6.77E-03 20 4.42E-07 1.98E-07 8.70E-07 03/16/97 Yes Yes 186 172 1062 C 2 H 2 40 11.3 18.37 44.4 9.35E-03 20 6.73E-07 2.28E-07 1.13E-06 03/16/97 Yes Yes 186 172 1062 C 2 H 2 45 11.35 30.81 45.76 1.06E-02 20 6.72E-07 4.09E-07 1.31E-06 03/16/97 Yes Yes 186 172 1062 C 2 H 2 50 11.4 38.48 46.76 8.93E-03 20 5.08E-07 4.13E-07 1.13E-06 03/16/97 Yes Yes 186 172 1062 C 2 H 2 55 11.45 36.71 41.12 8.09E-03 20 5.18E-07 3.95E-07 9.22E-07 03/16/97 Yes Yes 186 172 1062 C 2 H 2 60 11.5 32.6 37.74 7.46E-03 20 5.27E-07 3.45E-07 7.91E-07 03/16/97 Yes Yes 186 172 1062 C 2 H 2 65 11.55 24.56 43.81 6.37E-03 20 4.44E-07 2.07E-07 7.65E-07 03/16/97 Yes Yes 186 172 1062 C 2 H 2 70 11.6 20.56 58.72 5.22E-03 20 2.69E-07 1.03E-07 7.73E-07 03/16/97 Yes Yes 186 172 1062 C 2 H 2 75 11.65 29.02 60.96 5.39E-03 20 2.43E-07 1.38E-07 8.17E-07 03/16/97 Yes Yes 186 172 1062 C 2 H 2 80 11.7 35.19 44.11 7.16E-03 20 4.45E-07 3.21E-07 8.63E-07 03/16/97 Yes Yes 186 172 1062 C 2 H 2 85 11.75 39.07 33.88 7.68E-03 20 5.25E-07 4.36E-07 7.42E-07 03/16/97 Yes Yes 186 172 1062 C 2 H 2 90 11.8 34.79 23.12 7.95E-03 20 6.37E-07 4.52E-07 5.41E-07 03/16/97 Yes Yes 186 172 1062 C 2 H 2 95 11.85 27.78 19.72 9.72E-03 20 8.59E-07 4.63E-07 5.69E-07 03/16/97 Yes Yes 186 172 1062 C 2 H 2 100 11.9 26.86 24.56 8.87E-03 20 7.63E-07 3.95E-07 6.39E-07 03/16/97 Yes Yes 186 172 1062 C 2 H 2 105 11.95 28.98 29.2 8.98E-03 20 7.27E-07 4.12E-07 7.59E-07 03/16/97 Yes Yes 186 172 1062 C 2 H 2 110 12 36.09 37.71 8.95E-03 20 6.07E-07 4.52E-07 9.49E-07 03/16/97 Yes Yes 186 172 1062 C 2 H 2 115 12.05 40.12 46.25 7.81E-03 20 4.38E-07 3.77E-07 9.78E-07 03/16/97 Yes Yes 186 172 1062 C 2 H 2 120 12.1 36.12 43.28 7.70E-03 20 4.81E-07 3.59E-07 9.16E-07 03/16/97 Yes Yes 186 172 1062 C 2 H 2 125 12.15 25.79 34.3 1.00E-02 20 7.90E-07 3.90E-07 9.78E-07 03/16/97 Yes Yes 186 172 1062 C 2 H 2 130 12.2 13.7 33.03 1.29E-02 20 1.11E-06 2.78E-07 1.22E-06 03/16/97 Yes Yes 186 172 1062 C 2 H 2 135 12.25 8.25 33.9 1.77E-02 20 1.54E-06 2.29E-07 1.71E-06 03/16/97 Yes Yes 186 172 1062 C 2 H 2 140 12.3 8.81 36.6 2.04E-02 20 1.71E-06 2.71E-07 2.10E-06 03/16/97 Yes Yes 186 172 1062 C 2 H 2 145 12.35 12.3 34.09 2.20E-02 20 1.89E-06 4.21E-07 2.14E-06 03/16/97 Yes Yes 186 172 1062 C 2 H 2 150 12.4 18.44 41.87 1.11E-02 20 8.31E-07 2.83E-07 1.28E-06 03/16/97 Yes Yes 186 172 1062 C 2 H 3 0 12.4 8.04 33.83 1.05E-02 20 9.16E-07 1.32E-07 1.01E-06 03/16/97 Yes Yes 188 172 1062 C 2 H 3 5 12.45 13.97 29.54 2.54E-02 20 2.28E-06 5.80E-07 2.18E-06 03/16/97 Yes Yes 188 172 1062 C 2 H 3 10 12.5 12.52 33.75 2.33E-02 20 2.01E-06 4.56E-07 2.24E-06 03/16/97 Yes Yes 188 172 1062 C 2 H 3 15 12.55 16.15 35.95 2.03E-02 20 1.68E-06 4.97E-07 2.07E-06 03/16/97 Yes Yes 188 172 1062 C 2 H 3 20 12.6 24.74 40.35 1.55E-02 20 1.14E-06 5.36E-07 1.74E-06 03/16/97 Yes Yes 188 172 1062 C 2 H 3 25 12.65 33.11 39.71 1.31E-02 20 8.97E-07 5.99E-07 1.45E-06 03/16/97 Yes Yes 188 172 1062 C 2 H 3 30 12.7 31.01 36.16 1.28E-02 20 9.37E-07 5.76E-07 1.31E-06 03/16/97 Yes Yes 188 172 1062 C 2 H 3 35 12.75 34.97 33.34 1.36E-02 20 9.91E-07 7.09E-07 1.30E-06 03/16/97 Yes Yes 188 172 1062 C 2 H 3 40 12.8 39.27 32.7 1.46E-02 20 1.01E-06 8.41E-07 1.36E-06 03/16/97 Yes Yes 188 172 1062 C 2 H 3 45 12.85 35.15 35.06 1.36E-02 20 9.62E-07 6.93E-07 1.35E-06 03/16/97 Yes Yes 188 172 1062 C 2 H 3 50 12.9 33.09 36.87 1.24E-02 20 8.85E-07 5.90E-07 1.29E-06 03/16/97 Yes Yes 188 172 1062 C 2 H 3 55 12.95 33.12 37.51 1.17E-02 20 8.27E-07 5.52E-07 1.24E-06 03/16/97 Yes Yes 188 172 1062 C 2 H 3 60 13 34.16 36.4 1.14E-02 20 8.07E-07 5.60E-07 1.18E-06 03/16/97 Yes Yes 188 172 1062 C 2 H 3 65 13.05 33.37 36.78 9.57E-03 20 6.79E-07 4.57E-07 9.94E-07 03/16/97 Yes Yes 188 172 1062 C 2 H 3 70 13.1 33.09 31.27 9.12E-03 20 6.93E-07 4.62E-07 8.21E-07 03/16/97 Yes Yes 188 172 1062 C 2 H 3 75 13.15 34.64 29.63 7.98E-03 20 6.06E-07 4.28E-07 6.84E-07 03/16/97 Yes Yes 188 172 1062 C 2 H 3 80 13.2 31.98 28.17 5.61E-03 20 4.45E-07 2.84E-07 4.59E-07 03/16/97 Yes Yes 188 172 1062 C 2 H 3 85 13.25 27.47 26.08 5.40E-03 20 4.57E-07 2.43E-07 4.12E-07 03/16/97 Yes Yes 188 172 1062 C 2 H 3 90 13.3 29.17 25.71 5.82E-03 20 4.86E-07 2.77E-07 4.38E-07 03/16/97 Yes Yes 188 172 1062 C 2 H 3 95 13.35 29.17 28.27 5.60E-03 20 4.57E-07 2.61E-07 4.60E-07 03/16/97 Yes Yes 188 172 1062 C 2 H 3 100 13.4 25.46 30.39 5.65E-03 20 4.66E-07 2.27E-07 4.95E-07 03/16/97 Yes Yes 188 172 1062 C 2 H 3 105 13.45 15.52 43.21 4.21E-03 20 3.13E-07 8.90E-08 4.99E-07 03/16/97 Yes Yes 188 172 1062 C 2 H 3 110 13.5 6.85 29.48 3.71E-03 20 3.40E-07 4.18E-08 3.17E-07 03/16/97 Yes Yes 188 172 1062 C 2 H 3 115 13.55 3.92 29.79 3.74E-03 20 3.43E-07 2.41E-08 3.22E-07 03/16/97 Yes Yes 188 172 1062 C 2 H 3 120 13.6 13.71 27.58 3.80E-03 20 3.47E-07 8.67E-08 3.05E-07 03/16/97 Yes Yes 188 172 1062 C 2 H 3 125 13.65 24.89 17.41 4.41E-03 20 4.05E-07 1.92E-07 2.29E-07 03/16/97 Yes Yes 188 172 1062 C 2 H 3 130 13.7 30.39 7.15 6.08E-03 20 5.52E-07 3.31E-07 1.31E-07 03/16/97 Yes Yes 188 172 1062 C 2 H 3 135 13.75 20.78 5.8 8.65E-03 20 8.54E-07 3.31E-07 1.52E-07 03/16/97 Yes Yes 188 172 1062 C 2 H 3 140 13.8 10.64 15.56 9.14E-03 20 9.18E-07 1.76E-07 4.25E-07 03/16/97 Yes Yes 188 172 1062 C 2 H 3 145 13.85 3.65 22.58 1.17E-02 20 1.14E-06 7.43E-08 7.76E-07 03/16/97 Yes Yes 188 172 1062 C 2 H 3 150 13.9 4.05 32.74 8.04E-03 20 7.16E-07 5.18E-08 7.54E-07 03/16/97 Yes Yes 188 172 1062 C 2 H 4 0 13.9 358.61 42.52 5.15E-03 20 4.03E-07 -1.00E-08 6.04E-07 03/16/97 Yes Yes 190 172 1062 C 2 H 4 5 13.95 354.53 34.66 1.38E-02 20 1.19E-06 -1.17E-07 1.36E-06 03/16/97 Yes Yes 190 172 1062 C 2 H 4 10 14 351.84 34.68 1.69E-02 20 1.46E-06 -2.14E-07 1.67E-06 03/16/97 Yes Yes 190 172 1062 C 2 H 4 15 14.05 1.41 40.79 1.69E-02 20 1.36E-06 3.43E-08 1.92E-06 03/16/97 Yes Yes 190 172 1062 C 2 H 4 20 14.1 17.8 45.72 1.61E-02 20 1.14E-06 3.73E-07 2.00E-06 03/16/97 Yes Yes 190 172 1062 C 2 H 4 25 14.15 14.66 44.59 1.97E-02 20 1.44E-06 3.85E-07 2.40E-06 03/16/97 Yes Yes 190 172 1062 C 2 H 4 30 14.2 11.88 57.27 2.06E-02 20 1.16E-06 2.49E-07 3.01E-06 03/16/97 Yes Yes 190 172 1062 C 2 H 4 35 14.25 20.84 67.39 1.78E-02 20 6.80E-07 2.65E-07 2.86E-06 03/16/97 Yes Yes 190 172 1062 C 2 H 4 40 14.3 42.99 45.5 1.45E-02 20 7.91E-07 7.54E-07 1.80E-06 03/16/97 Yes Yes 190 172 1062 C 2 H 4 45 14.35 47.63 21.51 1.72E-02 20 1.14E-06 1.28E-06 1.09E-06 03/16/97 Yes Yes 190 172 1062 C 2 H 4 50 14.4 45.21 14.61 1.66E-02 20 1.20E-06 1.23E-06 7.24E-07 03/16/97 Yes Yes 190 172 1062 C 2 H 4 55 14.45 42.39 1.32 1.42E-02 20 1.12E-06 1.04E-06 5.70E-08 03/16/97 Yes Yes 190 172 1062 C 2 H 4 60 14.5 37.81 -3.39 1.45E-02 20 1.21E-06 9.62E-07 -1.48E-07 03/16/97 Yes Yes 190 172 1062 C 2 H 4 65 14.55 25.52 2.94 1.52E-02 20 1.46E-06 7.11E-07 1.35E-07 03/16/97 Yes Yes 190 172 1062 C 2 H 4 70 14.6 19.93 11.18 1.39E-02 20 1.36E-06 5.04E-07 4.67E-07 03/16/97 Yes Yes 190 172 1062 C 2 H 4 75 14.65 21.27 11.81 1.42E-02 20 1.37E-06 5.45E-07 5.02E-07 03/16/97 Yes Yes 190 172 1062 C 2 H 4 80 14.7 22.24 13.93 1.49E-02 20 1.42E-06 5.94E-07 6.22E-07 03/16/97 Yes Yes 190 172 1062 C 2 H 4 85 14.75 18.44 13.47 1.38E-02 20 1.35E-06 4.60E-07 5.57E-07 03/16/97 Yes Yes 190 172 1062 C 2 H 4 90 14.8 11.2 15.72 1.45E-02 20 1.45E-06 2.93E-07 6.79E-07 03/16/97 Yes Yes 190 172 1062 C 2 H 4 95 14.85 15.08 17.63 1.74E-02 20 1.69E-06 4.67E-07 9.11E-07 03/16/97 Yes Yes 190 172 1062 C 2 H 4 100 14.9 17.82 23.17 2.12E-02 20 1.96E-06 6.45E-07 1.44E-06 03/16/97 Yes Yes 190 172 1062 C 2 H 4 105 14.95 13.94 35.59 2.08E-02 20 1.75E-06 4.43E-07 2.10E-06 03/16/97 Yes Yes 190 172 1062 C 2 H 4 110 15 4.93 43.89 2.03E-02 20 1.55E-06 1.37E-07 2.45E-06 03/16/97 Yes Yes 190 172 1062 C 2 H 4 115 15.05 359.31 43.8 2.14E-02 20 1.64E-06 -2.01E-08 2.56E-06 03/16/97 Yes Yes 190 172 1062 C 2 H 4 120 15.1 359.42 38.37 2.53E-02 20 2.11E-06 -2.17E-08 2.73E-06 03/16/97 Yes Yes 190 172 1062 C 2 H 4 125 15.15 359.45 35.79 2.54E-02 20 2.18E-06 -2.14E-08 2.57E-06 03/16/97 Yes Yes 190 172 1062 C 2 H 4 130 15.2 358.31 39.12 2.05E-02 20 1.69E-06 -5.09E-08 2.25E-06 03/16/97 Yes Yes 190 172 1062 C 2 H 4 135 15.25 350.74 38.12 1.66E-02 20 1.37E-06 -2.28E-07 1.77E-06 03/16/97 Yes Yes 190 172 1062 C 2 H 4 140 15.3 353.32 33.67 1.60E-02 20 1.40E-06 -1.68E-07 1.54E-06 03/16/97 Yes Yes 190 172 1062 C 2 H 4 145 15.35 353.02 32.46 1.32E-02 20 1.17E-06 -1.47E-07 1.23E-06 03/16/97 Yes Yes 190 172 1062 C 2 H 4 150 15.4 347.51 48.51 4.61E-03 20 3.16E-07 -7.16E-08 5.98E-07 03/16/97 Yes Yes 190 172 1062 C 2 H 5 0 15.4 350.49 29.8 3.53E-03 20 3.20E-07 -5.49E-08 3.04E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 5 5 15.45 353.35 30.82 8.30E-03 20 7.51E-07 -8.95E-08 7.38E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 5 10 15.5 1.94 40.1 7.00E-03 20 5.68E-07 1.96E-08 7.82E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 5 15 15.55 19.86 47.16 5.87E-03 20 3.98E-07 1.47E-07 7.46E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 5 20 15.6 14.09 47.38 4.59E-03 20 3.20E-07 8.20E-08 5.85E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 5 25 15.65 358.65 57.2 2.94E-03 20 1.69E-07 -4.08E-09 4.28E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 5 30 15.7 6.25 78.15 1.95E-03 20 4.22E-08 4.73E-09 3.31E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 5 35 15.75 77.77 76.53 1.35E-03 20 7.08E-09 3.34E-08 2.28E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 5 40 15.8 81.06 73.58 8.14E-04 20 3.79E-09 2.46E-08 1.35E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 5 45 15.85 11.16 66.63 6.10E-04 20 2.52E-08 5.08E-09 9.71E-08 03/16/97 Yes Yes 192 172 1062 C 2 H 5 50 15.9 10.52 54.1 7.62E-04 20 4.66E-08 8.85E-09 1.07E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 5 55 15.95 28.86 47.78 9.95E-04 20 6.21E-08 3.50E-08 1.28E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 5 60 16 9.99 55.86 1.06E-03 20 6.22E-08 1.12E-08 1.52E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 5 65 16.05 14.83 66.01 1.11E-03 20 4.63E-08 1.25E-08 1.76E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 5 70 16.1 14.47 52.02 1.50E-03 20 9.48E-08 2.50E-08 2.05E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 5 75 16.15 15.87 44.7 2.05E-03 20 1.48E-07 4.31E-08 2.49E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 5 80 16.2 24.87 45.83 2.50E-03 20 1.68E-07 7.95E-08 3.11E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 5 85 16.25 34.77 52.86 2.85E-03 20 1.50E-07 1.07E-07 3.94E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 5 90 16.3 24.28 53.73 3.00E-03 20 1.72E-07 7.91E-08 4.19E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 5 95 16.35 9.18 43.85 3.30E-03 20 2.49E-07 4.12E-08 3.96E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 5 100 16.4 7.71 33.18 3.68E-03 20 3.24E-07 4.48E-08 3.49E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 5 105 16.45 10.69 32.05 3.56E-03 20 3.14E-07 6.06E-08 3.27E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 5 110 16.5 8.9 37.47 3.35E-03 20 2.79E-07 4.46E-08 3.53E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 5 115 16.55 5.56 41.98 3.32E-03 20 2.60E-07 2.59E-08 3.85E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 5 120 16.6 3.43 39.46 3.21E-03 20 2.62E-07 1.61E-08 3.54E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 5 125 16.65 4.31 36.53 3.13E-03 20 2.66E-07 2.05E-08 3.23E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 5 130 16.7 9.27 35.89 3.56E-03 20 3.02E-07 5.04E-08 3.62E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 5 135 16.75 11.32 41.87 3.57E-03 20 2.76E-07 5.66E-08 4.13E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 5 140 16.8 10.4 45.82 3.23E-03 20 2.35E-07 4.41E-08 4.01E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 5 145 16.85 9.85 41.55 3.13E-03 20 2.45E-07 4.34E-08 3.60E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 5 150 16.9 18.01 52.94 1.66E-03 20 1.01E-07 3.36E-08 2.30E-07 03/16/97 Yes Yes 192 172 1062 C 2 H 6 0 16.9 357.85 41.11 1.33E-03 20 1.06E-07 -4.09E-09 1.52E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 5 16.95 2.57 43.47 2.61E-03 20 2.01E-07 9.21E-09 3.12E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 10 17 8.41 44.29 2.70E-03 20 2.03E-07 3.07E-08 3.27E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 15 17.05 15.1 38.5 3.09E-03 20 2.47E-07 6.83E-08 3.33E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 20 17.1 25.11 42.18 3.14E-03 20 2.23E-07 1.07E-07 3.66E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 25 17.15 37.32 49.5 3.06E-03 20 1.68E-07 1.31E-07 4.03E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 30 17.2 38.86 48.17 3.35E-03 20 1.84E-07 1.52E-07 4.32E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 35 17.25 30.44 46.57 4.04E-03 20 2.54E-07 1.53E-07 5.08E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 40 17.3 27.04 47.29 4.55E-03 20 2.91E-07 1.52E-07 5.79E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 45 17.35 26.14 47.67 4.21E-03 20 2.70E-07 1.36E-07 5.40E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 50 17.4 14.26 46.39 3.26E-03 20 2.31E-07 6.00E-08 4.09E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 55 17.45 1.91 42.84 2.66E-03 20 2.07E-07 7.07E-09 3.14E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 60 17.5 7.35 49.23 1.96E-03 20 1.35E-07 1.78E-08 2.58E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 65 17.55 17.09 49.65 1.77E-03 20 1.16E-07 3.66E-08 2.34E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 70 17.6 19.22 56.12 1.55E-03 20 8.63E-08 3.08E-08 2.22E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 75 17.65 8.5 52.46 1.75E-03 20 1.12E-07 1.71E-08 2.41E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 80 17.7 7.5 43.04 2.83E-03 20 2.18E-07 2.93E-08 3.35E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 85 17.75 8.02 40.73 3.59E-03 20 2.86E-07 4.11E-08 4.06E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 90 17.8 4.3 42.74 3.77E-03 20 2.93E-07 2.25E-08 4.44E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 95 17.85 8.61 40.22 3.38E-03 20 2.71E-07 4.20E-08 3.79E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 100 17.9 9.5 31.89 3.79E-03 20 3.37E-07 5.77E-08 3.47E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 105 17.95 357.23 37.67 4.22E-03 20 3.54E-07 -1.75E-08 4.47E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 110 18 347.18 48.11 4.25E-03 20 2.94E-07 -6.83E-08 5.49E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 115 18.05 357.05 58.33 3.44E-03 20 1.91E-07 -1.01E-08 5.08E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 120 18.1 1.74 49.77 3.85E-03 20 2.63E-07 8.17E-09 5.09E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 125 18.15 2.93 40.24 5.21E-03 20 4.21E-07 2.20E-08 5.83E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 130 18.2 5.95 39.82 6.11E-03 20 4.95E-07 5.27E-08 6.79E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 135 18.25 8.08 41.1 6.51E-03 20 5.16E-07 7.48E-08 7.42E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 140 18.3 5.11 40.66 6.71E-03 20 5.38E-07 4.92E-08 7.58E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 145 18.35 359.66 40.99 5.98E-03 20 4.79E-07 -2.91E-09 6.80E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 6 150 18.4 356.65 53.12 2.96E-03 20 1.88E-07 -1.13E-08 4.11E-07 03/16/97 Yes Yes 194 172 1062 C 2 H 7 0 18.4 357.29 37.62 2.29E-03 20 1.92E-07 -9.31E-09 2.43E-07 03/16/97 Yes Yes 196 172 1062 C 2 H 7 5 18.45 3.31 43.57 3.99E-03 20 3.06E-07 1.81E-08 4.76E-07 03/16/97 Yes Yes 196 172 1062 C 2 H 7 10 18.5 6.25 45.83 4.44E-03 20 3.26E-07 3.65E-08 5.52E-07 03/16/97 Yes Yes 196 172 1062 C 2 H 7 15 18.55 10.98 41.59 4.53E-03 20 3.52E-07 6.99E-08 5.21E-07 03/16/97 Yes Yes 196 172 1062 C 2 H 7 20 18.6 13.39 35.34 4.54E-03 20 3.82E-07 9.29E-08 4.55E-07 03/16/97 Yes Yes 196 172 1062 C 2 H 7 25 18.65 17.9 29.06 4.59E-03 20 4.05E-07 1.34E-07 3.86E-07 03/16/97 Yes Yes 196 172 1062 C 2 H 7 30 18.7 18.07 22.38 5.00E-03 20 4.66E-07 1.55E-07 3.30E-07 03/16/97 Yes Yes 196 172 1062 C 2 H 7 35 18.75 15.78 27.44 3.91E-03 20 3.54E-07 1.02E-07 3.13E-07 03/16/97 Yes Yes 196 172 1062 C 2 H 7 40 18.8 20.31 38.74 2.91E-03 20 2.25E-07 8.53E-08 3.15E-07 03/16/97 Yes Yes 196 172 1062 C 2 H 7 45 18.85 21.36 33.59 4.13E-03 20 3.40E-07 1.36E-07 3.96E-07 03/16/97 Yes Yes 196 172 1062 C 2 H 7 50 18.9 12.07 37.2 7.07E-03 20 5.84E-07 1.28E-07 7.41E-07 03/16/97 Yes Yes 196 172 1062 C 2 H 7 55 18.95 5.34 46.21 8.04E-03 20 5.87E-07 5.61E-08 1.01E-06 03/16/97 Yes Yes 196 172 1062 C 2 H 7 60 19 354.62 47.02 8.28E-03 20 5.96E-07 -5.74E-08 1.05E-06 03/16/97 Yes Yes 196 172 1062 C 2 H 7 65 19.05 353.06 42.3 8.54E-03 20 6.65E-07 -8.28E-08 9.97E-07 03/16/97 Yes Yes 196 172 1062 C 2 H 7 70 19.1 353.14 63.08 4.53E-03 20 2.16E-07 -2.65E-08 7.00E-07 03/16/97 Yes Yes 196 172 1062 C 3 H 1 0 18.9 97.6 82.82 5.94E-03 20 -1.04E-08 7.98E-08 1.02E-06 03/18/97 Yes Yes 288 172 1062 C 3 H 1 5 18.95 108.19 80.72 7.55E-03 20 -4.03E-08 1.26E-07 1.29E-06 03/18/97 Yes Yes 288 172 1062 C 3 H 1 10 19 104.49 48.42 4.21E-03 20 -7.41E-08 2.93E-07 5.46E-07 03/18/97 Yes Yes 288 172 1062 C 3 H 1 15 19.05 166.02 52.7 2.23E-03 20 -1.39E-07 3.53E-08 3.07E-07 03/18/97 Yes Yes 288 172 1062 C 3 H 1 20 19.1 213.11 67.75 5.21E-03 20 -1.75E-07 -1.17E-07 8.36E-07 03/18/97 Yes Yes 288 172 1062 C 3 H 1 25 19.15 329.39 68.5 1.48E-02 20 4.95E-07 -3.00E-07 2.39E-06 03/18/97 Yes Yes 288 172 1062 C 3 H 1 30 19.2 8.93 66.53 2.45E-02 20 1.02E-06 1.64E-07 3.89E-06 03/18/97 Yes Yes 288 172 1062 C 3 H 1 35 19.25 53.85 69.08 3.01E-02 20 6.72E-07 9.41E-07 4.87E-06 03/18/97 Yes Yes 288 172 1062 C 3 H 1 40 19.3 93.38 73.88 2.91E-02 20 -5.05E-08 8.75E-07 4.85E-06 03/18/97 Yes Yes 288 172 1062 C 3 H 1 45 19.35 58.47 82.9 2.28E-02 20 1.56E-07 2.61E-07 3.92E-06 03/18/97 Yes Yes 288 172 1062 C 3 H 1 50 19.4 210.21 86.27 1.81E-02 20 -1.08E-07 -6.43E-08 3.14E-06 03/18/97 Yes Yes 288 172 1062 C 3 H 1 55 19.45 166.85 58.89 7.72E-03 20 -4.12E-07 9.84E-08 1.15E-06 03/18/97 Yes Yes 288 172 1062 C 3 H 1 60 19.5 182.34 64.51 3.30E-03 20 -1.51E-07 -6.30E-09 5.17E-07 03/18/97 Yes Yes 288 172 1062 C 3 H 1 65 19.55 181.86 59.15 3.80E-03 20 -2.07E-07 -6.88E-09 5.66E-07 03/18/97 Yes Yes 288 172 1062 C 3 H 1 70 19.6 183.5 61.92 4.44E-03 20 -2.21E-07 -1.39E-08 6.79E-07 03/18/97 Yes Yes 288 172 1062 C 3 H 1 75 19.65 183.08 57.61 5.30E-03 20 -3.01E-07 -1.65E-08 7.76E-07 03/18/97 Yes Yes 288 172 1062 C 3 H 1 80 19.7 185.72 55.47 5.22E-03 20 -3.12E-07 -3.20E-08 7.45E-07 03/18/97 Yes Yes 288 172 1062 C 3 H 1 85 19.75 181.05 51.83 4.89E-03 20 -3.20E-07 -6.03E-09 6.66E-07 03/18/97 Yes Yes 288 172 1062 C 3 H 1 90 19.8 174.01 52.93 4.22E-03 20 -2.69E-07 2.88E-08 5.84E-07 03/18/97 Yes Yes 288 172 1062 C 3 H 1 95 19.85 162.18 52.3 3.91E-03 20 -2.41E-07 7.93E-08 5.36E-07 03/18/97 Yes Yes 288 172 1062 C 3 H 1 100 19.9 155.88 48.51 3.63E-03 20 -2.33E-07 1.06E-07 4.71E-07 03/18/97 Yes Yes 288 172 1062 C 3 H 1 105 19.95 156.35 49.98 2.85E-03 20 -1.78E-07 7.98E-08 3.79E-07 03/18/97 Yes Yes 288 172 1062 C 3 H 1 110 20 147.76 72.05 2.01E-03 20 -5.54E-08 3.58E-08 3.31E-07 03/18/97 Yes Yes 288 172 1062 C 3 H 1 115 20.05 132.31 68.11 2.91E-03 20 -7.75E-08 8.71E-08 4.68E-07 03/18/97 Yes Yes 288 172 1062 C 3 H 1 120 20.1 149.01 44.04 5.29E-03 20 -3.46E-07 2.12E-07 6.37E-07 03/18/97 Yes Yes 288 172 1062 C 3 H 1 125 20.15 153.07 36.28 5.90E-03 20 -4.50E-07 2.34E-07 6.05E-07 03/18/97 Yes Yes 288 172 1062 C 3 H 1 130 20.2 158.75 46.7 4.58E-03 20 -3.11E-07 1.24E-07 5.78E-07 03/18/97 Yes Yes 288 172 1062 C 3 H 1 135 20.25 161.8 49.91 4.42E-03 20 -2.87E-07 9.65E-08 5.86E-07 03/18/97 Yes Yes 288 172 1062 C 3 H 1 140 20.3 166.7 40.9 5.64E-03 20 -4.40E-07 1.06E-07 6.41E-07 03/18/97 Yes Yes 288 172 1062 C 3 H 1 145 20.35 166.27 31.13 6.94E-03 20 -6.12E-07 1.53E-07 6.22E-07 03/18/97 Yes Yes 288 172 1062 C 3 H 1 150 20.4 165.7 30.63 4.40E-03 20 -3.89E-07 1.01E-07 3.88E-07 03/18/97 Yes Yes 288 172 1062 C 3 H 2 0 20.4 173.22 62.71 2.03E-03 20 -9.81E-08 1.19E-08 3.13E-07 03/18/97 Yes Yes 290 172 1062 C 3 H 2 5 20.45 176.86 41.61 6.01E-03 20 -4.76E-07 2.67E-08 6.92E-07 03/18/97 Yes Yes 290 172 1062 C 3 H 2 10 20.5 178.72 40.91 7.42E-03 20 -5.94E-07 1.36E-08 8.42E-07 03/18/97 Yes Yes 290 172 1062 C 3 H 2 15 20.55 173.05 41.13 8.33E-03 20 -6.61E-07 8.24E-08 9.50E-07 03/18/97 Yes Yes 290 172 1062 C 3 H 2 20 20.6 159.87 36.17 1.03E-02 20 -8.30E-07 3.11E-07 1.06E-06 03/18/97 Yes Yes 290 172 1062 C 3 H 2 25 20.65 151.62 39.21 8.35E-03 20 -6.04E-07 3.34E-07 9.16E-07 03/18/97 Yes Yes 290 172 1062 C 3 H 2 30 20.7 149.07 52.94 5.21E-03 20 -2.86E-07 1.75E-07 7.21E-07 03/18/97 Yes Yes 290 172 1062 C 3 H 2 35 20.75 154.66 58.48 3.69E-03 20 -1.85E-07 8.95E-08 5.45E-07 03/18/97 Yes Yes 290 172 1062 C 3 H 2 40 20.8 149.57 57.58 3.30E-03 20 -1.62E-07 9.72E-08 4.83E-07 03/18/97 Yes Yes 290 172 1062 C 3 H 2 45 20.85 153.06 50.94 4.24E-03 20 -2.53E-07 1.31E-07 5.71E-07 03/18/97 Yes Yes 290 172 1062 C 3 H 2 50 20.9 155.12 52.81 3.32E-03 20 -1.93E-07 9.16E-08 4.59E-07 03/18/97 Yes Yes 290 172 1062 C 3 H 2 55 20.95 97.28 64.98 2.01E-03 20 -1.14E-08 9.15E-08 3.16E-07 03/18/97 Yes Yes 290 172 1062 C 3 H 2 60 21 101.36 53.02 2.32E-03 20 -2.92E-08 1.49E-07 3.22E-07 03/18/97 Yes Yes 290 172 1062 C 3 H 2 65 21.05 135.54 53.34 1.95E-03 20 -8.79E-08 8.82E-08 2.71E-07 03/18/97 Yes Yes 290 172 1062 C 3 H 2 70 21.1 151.17 66.25 1.56E-03 20 -5.84E-08 3.29E-08 2.48E-07 03/18/97 Yes Yes 290 172 1062 C 3 H 2 75 21.15 160.45 65.84 2.21E-03 20 -9.04E-08 3.28E-08 3.49E-07 03/18/97 Yes Yes 290 172 1062 C 3 H 2 80 21.2 152.73 55.9 2.96E-03 20 -1.56E-07 8.23E-08 4.24E-07 03/18/97 Yes Yes 290 172 1062 C 3 H 2 85 21.25 148.11 51.4 3.55E-03 20 -2.00E-07 1.27E-07 4.82E-07 03/18/97 Yes Yes 290 172 1062 C 3 H 2 90 21.3 129.97 61.24 3.88E-03 20 -1.27E-07 1.55E-07 5.89E-07 03/18/97 Yes Yes 290 172 1062 C 3 H 2 95 21.35 64.66 69.63 3.98E-03 20 6.29E-08 1.36E-07 6.47E-07 03/18/97 Yes Yes 290 172 1062 C 3 H 2 100 21.4 28.59 56.8 3.86E-03 20 1.97E-07 1.10E-07 5.60E-07 03/18/97 Yes Yes 290 172 1062 C 3 H 2 105 21.45 7.32 30.46 4.30E-03 20 3.90E-07 5.12E-08 3.78E-07 03/18/97 Yes Yes 290 172 1062 C 3 H 2 110 21.5 356.53 15.32 5.53E-03 20 5.65E-07 -3.51E-08 2.54E-07 03/18/97 Yes Yes 290 172 1062 C 3 H 2 115 21.55 3.17 4.37 5.45E-03 20 5.76E-07 3.26E-08 7.20E-08 03/18/97 Yes Yes 290 172 1062 C 3 H 2 120 21.6 6.67 -10.35 6.90E-03 20 7.15E-07 8.54E-08 -2.15E-07 03/18/97 Yes Yes 290 172 1062 C 3 H 2 125 21.65 6.29 -16.52 9.12E-03 20 9.22E-07 1.04E-07 -4.49E-07 03/18/97 Yes Yes 290 172 1062 C 3 H 2 130 21.7 1.62 -20.21 9.66E-03 20 9.61E-07 2.78E-08 -5.78E-07 03/18/97 Yes Yes 290 172 1062 C 3 H 2 135 21.75 1.35 -23.73 1.05E-02 20 1.02E-06 2.46E-08 -7.33E-07 03/18/97 Yes Yes 290 172 1062 C 3 H 2 140 21.8 2.63 -23.58 1.29E-02 20 1.25E-06 5.89E-08 -8.95E-07 03/18/97 Yes Yes 290 172 1062 C 3 H 2 145 21.85 359.28 -16.97 1.52E-02 20 1.54E-06 -1.97E-08 -7.69E-07 03/18/97 Yes Yes 290 172 1062 C 3 H 2 150 21.9 359.47 -6.5 6.90E-03 20 7.27E-07 -6.88E-09 -1.35E-07 03/18/97 Yes Yes 290 172 1062 C 3 H 3 0 21.9 349.47 23.65 1.62E-03 20 1.55E-07 -2.94E-08 1.13E-07 03/18/97 Yes Yes 294 172 1062 C 3 H 3 5 21.95 3.94 39.2 5.56E-03 20 4.56E-07 3.21E-08 6.09E-07 03/18/97 Yes Yes 294 172 1062 C 3 H 3 10 22 28.14 77.41 6.80E-03 20 1.39E-07 7.59E-08 1.15E-06 03/18/97 Yes Yes 294 172 1062 C 3 H 3 15 22.05 174.04 65.66 9.17E-03 20 -3.99E-07 4.25E-08 1.45E-06 03/18/97 Yes Yes 294 172 1062 C 3 H 3 20 22.1 187.06 65.75 1.09E-02 20 -4.72E-07 -5.98E-08 1.73E-06 03/18/97 Yes Yes 294 172 1062 C 3 H 3 25 22.15 194.05 63.21 1.40E-02 20 -6.47E-07 -1.66E-07 2.16E-06 03/18/97 Yes Yes 294 172 1062 C 3 H 3 30 22.2 190.3 50.4 1.81E-02 20 -1.20E-06 -2.23E-07 2.41E-06 03/18/97 Yes Yes 294 172 1062 C 3 H 3 35 22.25 178.83 46.37 1.84E-02 20 -1.35E-06 2.81E-08 2.31E-06 03/18/97 Yes Yes 294 172 1062 C 3 H 3 40 22.3 166.36 49.77 1.73E-02 20 -1.15E-06 2.86E-07 2.29E-06 03/18/97 Yes Yes 294 172 1062 C 3 H 3 45 22.35 166.56 51.31 1.51E-02 20 -9.76E-07 2.38E-07 2.05E-06 03/18/97 Yes Yes 294 172 1062 C 3 H 3 50 22.4 191.27 57.99 1.22E-02 20 -6.72E-07 -1.37E-07 1.79E-06 03/18/97 Yes Yes 294 172 1062 C 3 H 3 55 22.45 211.97 58.36 1.28E-02 20 -6.03E-07 -3.85E-07 1.89E-06 03/18/97 Yes Yes 294 172 1062 C 3 H 3 60 22.5 211.8 51 1.47E-02 20 -8.31E-07 -5.27E-07 1.97E-06 03/18/97 Yes Yes 294 172 1062 C 3 H 3 65 22.55 207.41 50.38 1.57E-02 20 -9.41E-07 -4.99E-07 2.09E-06 03/18/97 Yes Yes 294 172 1062 C 3 H 3 70 22.6 198.08 56.44 1.80E-02 20 -1.00E-06 -3.35E-07 2.60E-06 03/18/97 Yes Yes 294 172 1062 C 3 H 3 75 22.65 188.98 53.83 2.05E-02 20 -1.27E-06 -2.04E-07 2.86E-06 03/18/97 Yes Yes 294 172 1062 C 3 H 3 80 22.7 187.27 59.77 2.01E-02 20 -1.06E-06 -1.39E-07 3.01E-06 03/18/97 Yes Yes 294 172 1062 C 3 H 3 85 22.75 192.61 62.18 2.14E-02 20 -1.03E-06 -2.36E-07 3.28E-06 03/18/97 Yes Yes 294 172 1062 C 3 H 3 90 22.8 200.63 58.8 2.23E-02 20 -1.14E-06 -4.41E-07 3.30E-06 03/18/97 Yes Yes 294 172 1062 C 3 H 3 95 22.85 196.52 48.04 2.26E-02 20 -1.54E-06 -4.66E-07 2.91E-06 03/18/97 Yes Yes 294 172 1062 C 3 H 3 100 22.9 195.81 38.45 2.06E-02 20 -1.64E-06 -4.76E-07 2.22E-06 03/18/97 Yes Yes 294 172 1062 C 3 H 3 105 22.95 195.57 36.9 1.58E-02 20 -1.29E-06 -3.69E-07 1.65E-06 03/18/97 Yes Yes 294 172 1062 C 3 H 3 110 23 201.36 36.58 1.38E-02 20 -1.10E-06 -4.38E-07 1.43E-06 03/18/97 Yes Yes 294 172 1062 C 3 H 3 115 23.05 205.04 34.03 1.49E-02 20 -1.19E-06 -5.67E-07 1.44E-06 03/18/97 Yes Yes 294 172 1062 C 3 H 3 120 23.1 206.89 38.49 1.34E-02 20 -9.92E-07 -5.14E-07 1.45E-06 03/18/97 Yes Yes 294 172 1062 C 3 H 3 125 23.15 215.52 55.65 9.95E-03 20 -4.85E-07 -3.54E-07 1.42E-06 03/18/97 Yes Yes 294 172 1062 C 3 H 3 130 23.2 204.32 61.13 1.10E-02 20 -5.14E-07 -2.38E-07 1.67E-06 03/18/97 Yes Yes 294 172 1062 C 3 H 3 135 23.25 191.53 54.35 1.32E-02 20 -8.01E-07 -1.67E-07 1.86E-06 03/18/97 Yes Yes 294 172 1062 C 3 H 3 140 23.3 189.67 54.83 1.34E-02 20 -8.05E-07 -1.40E-07 1.89E-06 03/18/97 Yes Yes 294 172 1062 C 3 H 3 145 23.35 188.08 57.69 1.24E-02 20 -6.95E-07 -1.01E-07 1.81E-06 03/18/97 Yes Yes 294 172 1062 C 3 H 3 150 23.4 183.47 54.13 8.22E-03 20 -5.10E-07 -3.17E-08 1.16E-06 03/18/97 Yes Yes 294 172 1062 C 3 H 4 0 23.4 170.59 83.62 4.50E-03 20 -5.24E-08 8.87E-09 7.76E-07 03/18/97 Yes Yes 296 172 1062 C 3 H 4 5 23.45 180.07 64.03 1.10E-02 20 -5.09E-07 -6.04E-10 1.71E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 4 10 23.5 189.4 62.2 1.30E-02 20 -6.32E-07 -1.07E-07 1.99E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 4 15 23.55 204.53 57.44 1.75E-02 20 -9.10E-07 -4.25E-07 2.56E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 4 20 23.6 213.41 45.6 2.57E-02 20 -1.59E-06 -1.07E-06 3.18E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 4 25 23.65 212.17 42.28 3.01E-02 20 -2.00E-06 -1.28E-06 3.51E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 4 30 23.7 198.45 48.77 2.83E-02 20 -1.88E-06 -6.40E-07 3.69E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 4 35 23.75 180.81 55.55 2.53E-02 20 -1.52E-06 -2.20E-08 3.62E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 4 40 23.8 165.97 59.05 2.18E-02 20 -1.15E-06 2.94E-07 3.24E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 4 45 23.85 157.83 62.29 1.71E-02 20 -7.81E-07 3.25E-07 2.62E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 4 50 23.9 168.11 60.52 1.32E-02 20 -6.75E-07 1.45E-07 1.99E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 4 55 23.95 188.13 57.58 1.27E-02 20 -7.14E-07 -1.04E-07 1.86E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 4 60 24 193.04 54.14 1.63E-02 20 -9.84E-07 -2.33E-07 2.28E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 4 65 24.05 190.73 48.87 2.07E-02 20 -1.42E-06 -2.75E-07 2.71E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 4 70 24.1 187.88 45.65 2.05E-02 20 -1.50E-06 -2.13E-07 2.54E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 4 75 24.15 185.46 51.61 1.72E-02 20 -1.13E-06 -1.10E-07 2.33E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 4 80 24.2 174.5 43.24 2.28E-02 20 -1.76E-06 1.73E-07 2.71E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 4 85 24.25 171.93 35.5 2.84E-02 20 -2.43E-06 3.52E-07 2.86E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 4 90 24.3 165.98 35.08 2.67E-02 20 -2.25E-06 5.74E-07 2.66E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 4 95 24.35 165.11 28.14 2.47E-02 20 -2.23E-06 6.06E-07 2.02E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 4 100 24.4 176.5 23.5 2.30E-02 20 -2.24E-06 1.40E-07 1.59E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 4 105 24.45 192.78 37.04 1.62E-02 20 -1.34E-06 -3.11E-07 1.70E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 4 110 24.5 204.27 47.94 1.97E-02 20 -1.28E-06 -5.89E-07 2.54E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 4 115 24.55 199.38 51 2.51E-02 20 -1.58E-06 -5.69E-07 3.38E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 4 120 24.6 196.99 62.59 2.53E-02 20 -1.18E-06 -3.69E-07 3.89E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 4 125 24.65 196.61 58.87 3.33E-02 20 -1.75E-06 -5.34E-07 4.95E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 4 130 24.7 194.25 48.62 4.58E-02 20 -3.12E-06 -8.09E-07 5.96E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 4 135 24.75 192.35 39.56 5.79E-02 20 -4.62E-06 -1.04E-06 6.39E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 4 140 24.8 188.48 35.67 5.58E-02 20 -4.76E-06 -7.25E-07 5.64E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 4 145 24.85 179.3 33.75 4.65E-02 20 -4.10E-06 5.15E-08 4.48E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 4 150 24.9 171.04 36 2.45E-02 20 -2.08E-06 3.35E-07 2.50E-06 03/18/97 Yes Yes 296 172 1062 C 3 H 5 0 24.9 170.49 43.33 1.54E-02 20 -1.17E-06 2.01E-07 1.83E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 5 24.95 176.45 35.53 3.30E-02 20 -2.84E-06 1.80E-07 3.32E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 10 25 184.11 44.07 3.04E-02 20 -2.31E-06 -1.70E-07 3.67E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 15 25.05 180.39 45.23 3.33E-02 20 -2.49E-06 -1.74E-08 4.09E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 20 25.1 181.34 40.16 3.64E-02 20 -2.95E-06 -7.07E-08 4.07E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 25 25.15 191.59 38.5 3.51E-02 20 -2.85E-06 -5.98E-07 3.78E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 30 25.2 197.95 40.35 3.17E-02 20 -2.43E-06 -8.07E-07 3.55E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 35 25.25 199.76 45.61 2.57E-02 20 -1.80E-06 -6.60E-07 3.19E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 40 25.3 199.04 43.46 2.55E-02 20 -1.86E-06 -6.55E-07 3.04E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 45 25.35 204.33 40.65 2.40E-02 20 -1.76E-06 -8.12E-07 2.71E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 50 25.4 212.48 50.37 1.86E-02 20 -1.06E-06 -6.91E-07 2.48E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 55 25.45 208.35 49.85 1.96E-02 20 -1.18E-06 -6.52E-07 2.60E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 60 25.5 212.85 50.22 2.03E-02 20 -1.16E-06 -7.63E-07 2.70E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 65 25.55 212.54 56.69 1.92E-02 20 -9.43E-07 -6.15E-07 2.78E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 70 25.6 204.9 45.06 1.99E-02 20 -1.35E-06 -6.40E-07 2.44E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 75 25.65 199.05 34.43 2.00E-02 20 -1.65E-06 -5.83E-07 1.96E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 80 25.7 200.79 33.2 1.76E-02 20 -1.46E-06 -5.68E-07 1.67E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 85 25.75 209.01 37.78 1.61E-02 20 -1.18E-06 -6.70E-07 1.71E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 90 25.8 213.98 37.82 1.82E-02 20 -1.27E-06 -8.73E-07 1.94E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 95 25.85 207.21 42.66 1.63E-02 20 -1.13E-06 -5.96E-07 1.92E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 100 25.9 195.6 45.33 1.43E-02 20 -1.03E-06 -2.94E-07 1.77E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 105 25.95 181.91 41.42 1.48E-02 20 -1.18E-06 -4.02E-08 1.70E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 110 26 174.04 35.45 1.82E-02 20 -1.57E-06 1.67E-07 1.83E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 115 26.05 182.33 44.89 1.94E-02 20 -1.46E-06 -6.08E-08 2.38E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 120 26.1 179.93 49.06 2.34E-02 20 -1.62E-06 2.04E-09 3.06E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 125 26.15 177.83 46.23 2.57E-02 20 -1.88E-06 7.28E-08 3.21E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 130 26.2 183.93 46.87 2.71E-02 20 -1.96E-06 -1.38E-07 3.43E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 135 26.25 188.3 40.07 3.31E-02 20 -2.66E-06 -3.97E-07 3.70E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 140 26.3 191.81 34.67 3.68E-02 20 -3.14E-06 -6.71E-07 3.63E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 145 26.35 190.22 30.36 3.47E-02 20 -3.12E-06 -5.76E-07 3.04E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 5 150 26.4 186.17 28.24 1.99E-02 20 -1.85E-06 -2.04E-07 1.63E-06 03/18/97 Yes Yes 298 172 1062 C 3 H 6 0 26.4 188.55 42.82 1.18E-02 20 -9.06E-07 -1.39E-07 1.39E-06 03/18/97 Yes Yes 300 172 1062 C 3 H 6 5 26.45 190.6 30.02 3.08E-02 20 -2.78E-06 -5.32E-07 2.67E-06 03/18/97 Yes Yes 300 172 1062 C 3 H 6 10 26.5 193.83 32.46 3.39E-02 20 -2.94E-06 -7.41E-07 3.15E-06 03/18/97 Yes Yes 300 172 1062 C 3 H 6 15 26.55 197.84 34.05 3.37E-02 20 -2.82E-06 -9.28E-07 3.27E-06 03/18/97 Yes Yes 300 172 1062 C 3 H 6 20 26.6 202.1 36.74 3.15E-02 20 -2.48E-06 -1.03E-06 3.27E-06 03/18/97 Yes Yes 300 172 1062 C 3 H 6 25 26.65 207.48 37.23 3.01E-02 20 -2.25E-06 -1.20E-06 3.15E-06 03/18/97 Yes Yes 300 172 1062 C 3 H 6 30 26.7 209.09 38.09 2.64E-02 20 -1.92E-06 -1.09E-06 2.82E-06 03/18/97 Yes Yes 300 172 1062 C 3 H 6 35 26.75 212.23 36.71 3.06E-02 20 -2.20E-06 -1.42E-06 3.17E-06 03/18/97 Yes Yes 300 172 1062 C 3 H 6 40 26.8 209.22 36.13 3.44E-02 20 -2.57E-06 -1.47E-06 3.52E-06 03/18/97 Yes Yes 300 172 1062 C 3 H 6 45 26.85 202.34 39.43 3.08E-02 20 -2.33E-06 -9.80E-07 3.39E-06 03/18/97 Yes Yes 300 172 1062 C 3 H 6 50 26.9 190.54 42.2 2.64E-02 20 -2.04E-06 -3.88E-07 3.08E-06 03/18/97 Yes Yes 300 172 1062 C 3 H 6 55 26.95 183.68 43.84 2.47E-02 20 -1.89E-06 -1.24E-07 2.97E-06 03/18/97 Yes Yes 300 172 1062 C 3 H 6 60 27 179.19 42.72 2.55E-02 20 -1.99E-06 2.88E-08 3.00E-06 03/18/97 Yes Yes 300 172 1062 C 3 H 6 65 27.05 178.33 45.46 2.27E-02 20 -1.69E-06 5.05E-08 2.81E-06 03/18/97 Yes Yes 300 172 1062 C 3 H 6 70 27.1 189.44 42.33 2.21E-02 20 -1.71E-06 -2.90E-07 2.58E-06 03/18/97 Yes Yes 300 172 1062 C 3 H 6 75 27.15 196.82 42.05 1.98E-02 20 -1.49E-06 -4.61E-07 2.30E-06 03/18/97 Yes Yes 300 172 1062 C 3 H 6 80 27.2 200.34 54.94 1.61E-02 20 -9.18E-07 -3.48E-07 2.28E-06 03/18/97 Yes Yes 300 172 1062 C 3 H 6 85 27.25 185.65 61.83 1.74E-02 20 -8.67E-07 -8.77E-08 2.66E-06 03/18/97 Yes Yes 300 172 1062 C 3 H 6 90 27.3 164.7 56.31 1.94E-02 20 -1.10E-06 3.08E-07 2.80E-06 03/18/97 Yes Yes 300 172 1062 C 3 H 6 95 27.35 163.71 43.32 2.07E-02 20 -1.54E-06 4.59E-07 2.47E-06 03/18/97 Yes Yes 300 172 1062 C 3 H 6 100 27.4 176.53 32.52 2.25E-02 20 -2.01E-06 1.25E-07 2.10E-06 03/18/97 Yes Yes 300 172 1062 C 3 H 6 105 27.45 189.32 40.68 1.93E-02 20 -1.53E-06 -2.56E-07 2.18E-06 03/18/97 Yes Yes 300 172 1062 C 3 H 6 110 27.5 188.26 41.17 2.35E-02 20 -1.85E-06 -2.75E-07 2.68E-06 03/18/97 Yes Yes 300 172 1062 C 3 H 6 115 27.55 188.39 36.35 2.68E-02 20 -2.27E-06 -3.42E-07 2.76E-06 03/18/97 Yes Yes 300 172 1062 C 3 H 6 120 27.6 185.72 34.39 2.38E-02 20 -2.07E-06 -2.12E-07 2.33E-06 03/18/97 Yes Yes 300 172 1062 C 3 H 6 125 27.65 187.1 31.45 1.96E-02 20 -1.76E-06 -2.25E-07 1.78E-06 03/18/97 Yes Yes 300 172 1062 C 3 H 6 130 27.7 193.58 23.28 1.78E-02 20 -1.69E-06 -4.17E-07 1.22E-06 03/18/97 Yes Yes 300 172 1062 C 3 H 6 135 27.75 204.26 18.98 1.73E-02 20 -1.58E-06 -7.28E-07 9.74E-07 03/18/97 Yes Yes 300 172 1062 C 3 H 6 140 27.8 213.75 21.76 1.79E-02 20 -1.47E-06 -1.00E-06 1.15E-06 03/18/97 Yes Yes 300 172 1062 C 3 H 6 145 27.85 220.78 21.07 1.71E-02 20 -1.28E-06 -1.13E-06 1.07E-06 03/18/97 Yes Yes 300 172 1062 C 3 H 6 150 27.9 219.51 24.82 7.34E-03 20 -5.45E-07 -4.59E-07 5.34E-07 03/18/97 Yes Yes 300 172 1062 C 3 H 7 0 27.9 244.55 49.39 2.42E-03 20 -7.18E-08 -1.54E-07 3.19E-07 03/18/97 Yes Yes 302 172 1062 C 3 H 7 5 27.95 209.35 36.28 9.09E-03 20 -6.77E-07 -3.90E-07 9.33E-07 03/18/97 Yes Yes 302 172 1062 C 3 H 7 10 28 189.94 31.02 1.78E-02 20 -1.60E-06 -2.86E-07 1.59E-06 03/18/97 Yes Yes 302 172 1062 C 3 H 7 15 28.05 184.81 28.95 2.63E-02 20 -2.43E-06 -2.09E-07 2.21E-06 03/18/97 Yes Yes 302 172 1062 C 3 H 7 20 28.1 182.4 37.83 2.95E-02 20 -2.47E-06 -1.06E-07 3.14E-06 03/18/97 Yes Yes 302 172 1062 C 3 H 7 25 28.15 174.07 44.27 3.21E-02 20 -2.42E-06 2.57E-07 3.88E-06 03/18/97 Yes Yes 302 172 1062 C 3 H 7 30 28.2 171.3 45.93 3.08E-02 20 -2.25E-06 3.52E-07 3.84E-06 03/18/97 Yes Yes 302 172 1062 C 3 H 7 35 28.25 180.78 40.48 3.09E-02 20 -2.49E-06 -3.47E-08 3.48E-06 03/18/97 Yes Yes 302 172 1062 C 3 H 7 40 28.3 190.13 28.05 3.03E-02 20 -2.79E-06 -5.10E-07 2.47E-06 03/18/97 Yes Yes 302 172 1062 C 3 H 7 45 28.35 193.86 33.78 2.55E-02 20 -2.18E-06 -5.50E-07 2.46E-06 03/18/97 Yes Yes 302 172 1062 C 3 H 7 50 28.4 226.96 74.4 2.05E-02 20 -4.00E-07 -4.38E-07 3.43E-06 03/18/97 Yes Yes 302 172 1062 C 4 H 1 0 28.4 199.82 57.07 9.66E-03 20 -5.24E-07 -1.93E-07 1.41E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 5 28.45 246.63 46.84 1.97E-02 20 -5.66E-07 -1.34E-06 2.49E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 10 28.5 101.72 76.76 1.86E-02 20 -9.20E-08 4.53E-07 3.15E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 15 28.55 119.11 37.25 3.95E-02 20 -1.62E-06 2.98E-06 4.14E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 20 28.6 129.95 37.48 4.74E-02 20 -2.56E-06 3.13E-06 5.00E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 25 28.65 129.58 44.93 4.71E-02 20 -2.25E-06 2.79E-06 5.76E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 30 28.7 131.23 51.45 4.93E-02 20 -2.15E-06 2.51E-06 6.69E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 35 28.75 131.53 55.64 5.05E-02 20 -2.01E-06 2.32E-06 7.23E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 40 28.8 134.2 57.62 4.53E-02 20 -1.80E-06 1.89E-06 6.64E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 45 28.85 140.48 52.71 4.61E-02 20 -2.29E-06 1.93E-06 6.36E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 50 28.9 139.19 46.23 4.92E-02 20 -2.73E-06 2.41E-06 6.16E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 55 28.95 135.09 44.97 4.52E-02 20 -2.40E-06 2.45E-06 5.54E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 60 29 133.82 44.5 3.32E-02 20 -1.74E-06 1.85E-06 4.04E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 65 29.05 133.42 40.42 2.58E-02 20 -1.43E-06 1.54E-06 2.89E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 70 29.1 145.08 34.44 2.46E-02 20 -1.77E-06 1.26E-06 2.41E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 75 29.15 149.82 35.6 2.44E-02 20 -1.82E-06 1.08E-06 2.47E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 80 29.2 154.21 41.89 2.29E-02 20 -1.63E-06 8.04E-07 2.65E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 85 29.25 159.05 51.92 2.30E-02 20 -1.41E-06 5.50E-07 3.14E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 90 29.3 161.97 49.55 3.09E-02 20 -2.02E-06 6.72E-07 4.07E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 95 29.35 159.02 48.72 3.24E-02 20 -2.12E-06 8.30E-07 4.22E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 100 29.4 156.27 48.1 2.62E-02 20 -1.70E-06 7.63E-07 3.38E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 105 29.45 157.67 52.52 1.62E-02 20 -9.65E-07 4.05E-07 2.22E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 110 29.5 162.54 62.73 1.13E-02 20 -5.26E-07 1.69E-07 1.75E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 115 29.55 147.75 51.31 1.85E-02 20 -1.04E-06 6.70E-07 2.51E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 120 29.6 142.26 42.45 3.43E-02 20 -2.12E-06 1.68E-06 4.01E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 125 29.65 144.26 42.64 4.70E-02 20 -2.98E-06 2.19E-06 5.52E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 130 29.7 142.32 40.85 5.23E-02 20 -3.32E-06 2.62E-06 5.93E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 135 29.75 143.15 38.5 4.69E-02 20 -3.11E-06 2.39E-06 5.06E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 140 29.8 147.42 40.08 3.52E-02 20 -2.41E-06 1.57E-06 3.93E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 145 29.85 155.61 34.87 3.48E-02 20 -2.76E-06 1.28E-06 3.45E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 1 150 29.9 159.6 31.33 2.57E-02 20 -2.19E-06 8.31E-07 2.32E-06 03/18/97 Yes Yes 304 172 1062 C 4 H 2 0 29.9 159.93 51.31 1.62E-02 20 -1.01E-06 3.78E-07 2.20E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 2 5 29.95 159.09 42.13 3.94E-02 20 -2.90E-06 1.13E-06 4.58E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 2 10 30 150.6 47.05 3.59E-02 20 -2.26E-06 1.30E-06 4.55E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 2 15 30.05 150.36 50.9 2.98E-02 20 -1.73E-06 1.01E-06 4.01E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 2 20 30.1 155.72 47.08 2.84E-02 20 -1.87E-06 8.63E-07 3.61E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 2 25 30.15 158.93 45.95 2.48E-02 20 -1.71E-06 6.73E-07 3.09E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 2 30 30.2 151.78 49.23 1.62E-02 20 -9.89E-07 5.43E-07 2.13E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 2 35 30.25 141.34 56 8.94E-03 20 -4.14E-07 3.39E-07 1.28E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 2 40 30.3 135.51 54.58 7.07E-03 20 -3.10E-07 3.11E-07 9.99E-07 03/18/97 Yes Yes 306 172 1062 C 4 H 2 45 30.35 151.37 48.65 1.01E-02 20 -6.23E-07 3.48E-07 1.32E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 2 50 30.4 161.81 46.95 1.69E-02 20 -1.16E-06 3.91E-07 2.14E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 2 55 30.45 164.63 41.63 2.67E-02 20 -2.04E-06 5.74E-07 3.08E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 2 60 30.5 162.01 38.17 3.50E-02 20 -2.78E-06 9.23E-07 3.75E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 2 65 30.55 155.24 34.28 3.97E-02 20 -3.16E-06 1.49E-06 3.87E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 2 70 30.6 150.93 33.36 3.73E-02 20 -2.89E-06 1.64E-06 3.55E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 2 75 30.65 149.66 34.71 3.12E-02 20 -2.34E-06 1.40E-06 3.07E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 2 80 30.7 148.7 40.05 2.29E-02 20 -1.59E-06 9.86E-07 2.55E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 2 85 30.75 157.87 49.65 1.78E-02 20 -1.13E-06 4.70E-07 2.35E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 2 90 30.8 168.67 45.05 2.02E-02 20 -1.48E-06 3.04E-07 2.48E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 2 95 30.85 161.73 40.02 2.31E-02 20 -1.78E-06 6.03E-07 2.58E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 2 100 30.9 153.65 41.99 2.29E-02 20 -1.62E-06 8.20E-07 2.66E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 2 105 30.95 154.59 39.1 2.32E-02 20 -1.72E-06 8.36E-07 2.53E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 2 110 31 157.88 35.04 2.00E-02 20 -1.61E-06 6.69E-07 1.99E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 2 115 31.05 151.06 38.66 1.68E-02 20 -1.21E-06 6.87E-07 1.81E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 2 120 31.1 148.56 44.5 1.71E-02 20 -1.10E-06 6.88E-07 2.07E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 2 125 31.15 153.33 50.72 1.60E-02 20 -9.60E-07 4.93E-07 2.15E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 2 130 31.2 146.89 58.41 1.42E-02 20 -6.62E-07 4.42E-07 2.10E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 2 135 31.25 138.52 53.04 1.78E-02 20 -8.51E-07 7.69E-07 2.47E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 2 140 31.3 137.44 41.17 2.39E-02 20 -1.41E-06 1.32E-06 2.73E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 2 145 31.35 135.9 38.48 1.95E-02 20 -1.16E-06 1.15E-06 2.11E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 2 150 31.4 134.14 47.56 8.38E-03 20 -4.18E-07 4.40E-07 1.07E-06 03/18/97 Yes Yes 306 172 1062 C 4 H 3 0 31.4 111.5 57.68 5.15E-03 20 -1.07E-07 2.78E-07 7.55E-07 03/18/97 Yes Yes 308 172 1062 C 4 H 3 5 31.45 114.51 37.85 1.51E-02 20 -5.24E-07 1.18E-06 1.60E-06 03/18/97 Yes Yes 308 172 1062 C 4 H 3 10 31.5 119.32 37.61 1.88E-02 20 -7.72E-07 1.41E-06 1.99E-06 03/18/97 Yes Yes 308 172 1062 C 4 H 3 15 31.55 125.17 37.94 1.44E-02 20 -6.96E-07 1.01E-06 1.54E-06 03/18/97 Yes Yes 308 172 1062 C 4 H 3 20 31.6 133.59 45.81 8.48E-03 20 -4.32E-07 4.64E-07 1.05E-06 03/18/97 Yes Yes 308 172 1062 C 4 H 3 25 31.65 147.43 54.64 6.32E-03 20 -3.27E-07 2.13E-07 8.93E-07 03/18/97 Yes Yes 308 172 1062 C 4 H 3 30 31.7 150.42 55.87 5.75E-03 20 -2.98E-07 1.73E-07 8.25E-07 03/18/97 Yes Yes 308 172 1062 C 4 H 3 35 31.75 141.42 55 4.93E-03 20 -2.34E-07 1.91E-07 7.00E-07 03/18/97 Yes Yes 308 172 1062 C 4 H 3 40 31.8 142.85 50.03 4.55E-03 20 -2.47E-07 1.92E-07 6.05E-07 03/18/97 Yes Yes 308 172 1062 C 4 H 3 45 31.85 146.61 38.06 4.85E-03 20 -3.38E-07 2.28E-07 5.19E-07 03/18/97 Yes Yes 308 172 1062 C 4 H 3 50 31.9 143.9 26.96 5.71E-03 20 -4.36E-07 3.25E-07 4.49E-07 03/18/97 Yes Yes 308 172 1062 C 4 H 3 55 31.95 139.26 21.98 5.77E-03 20 -4.30E-07 3.79E-07 3.74E-07 03/18/97 Yes Yes 308 172 1062 C 4 H 3 60 32 142.59 27.62 4.47E-03 20 -3.34E-07 2.61E-07 3.59E-07 03/18/97 Yes Yes 308 172 1062 C 4 H 3 65 32.05 140.88 36.64 4.41E-03 20 -2.91E-07 2.42E-07 4.56E-07 03/18/97 Yes Yes 308 172 1062 C 4 H 3 70 32.1 138.27 38.09 4.84E-03 20 -3.01E-07 2.75E-07 5.17E-07 03/18/97 Yes Yes 308 172 1062 C 4 H 3 75 32.15 141.9 34.25 6.66E-03 20 -4.59E-07 3.68E-07 6.49E-07 03/18/97 Yes Yes 308 172 1062 C 4 H 3 80 32.2 144.11 38.81 5.79E-03 20 -3.88E-07 2.87E-07 6.29E-07 03/18/97 Yes Yes 308 172 1062 C 4 H 3 85 32.25 147.43 42 5.05E-03 20 -3.35E-07 2.19E-07 5.86E-07 03/18/97 Yes Yes 308 172 1062 C 4 H 3 90 32.3 145.31 46.11 4.58E-03 20 -2.77E-07 1.96E-07 5.73E-07 03/18/97 Yes Yes 308 172 1062 C 4 H 3 95 32.35 127.58 47.46 5.51E-03 20 -2.41E-07 3.20E-07 7.04E-07 03/18/97 Yes Yes 308 172 1062 C 4 H 3 100 32.4 121.15 40.33 7.38E-03 20 -3.09E-07 5.22E-07 8.28E-07 03/18/97 Yes Yes 308 172 1062 C 4 H 3 105 32.45 113.83 42.32 5.66E-03 20 -1.79E-07 4.15E-07 6.61E-07 03/18/97 Yes Yes 308 172 1062 C 4 H 3 110 32.5 103.14 52.16 3.71E-03 20 -5.49E-08 2.41E-07 5.08E-07 03/18/97 Yes Yes 308 172 1062 C 4 H 3 115 32.55 102.65 54.28 3.50E-03 20 -4.74E-08 2.16E-07 4.92E-07 03/18/97 Yes Yes 308 172 1062 C 4 H 3 120 32.6 101.7 49.59 3.66E-03 20 -5.10E-08 2.52E-07 4.83E-07 03/18/97 Yes Yes 308 172 1062 C 4 H 3 125 32.65 112.42 39.02 3.87E-03 20 -1.22E-07 3.01E-07 4.22E-07 03/18/97 Yes Yes 308 172 1062 C 4 H 3 130 32.7 136.44 45.91 2.57E-03 20 -1.37E-07 1.33E-07 3.19E-07 03/18/97 Yes Yes 308 172 1062 C 4 H 3 135 32.75 150.48 41.62 1.56E-03 20 -1.08E-07 6.25E-08 1.80E-07 03/18/97 Yes Yes 308 172 1062 C 4 H 3 140 32.8 120.07 15.44 2.18E-03 20 -1.12E-07 1.98E-07 1.01E-07 03/18/97 Yes Yes 308 172 1062 C 4 H 3 145 32.85 117.29 4.95 3.44E-03 20 -1.67E-07 3.30E-07 5.15E-08 03/18/97 Yes Yes 308 172 1062 C 4 H 3 150 32.9 119.38 1.5 1.99E-03 20 -1.03E-07 1.88E-07 9.02E-09 03/18/97 Yes Yes 308 172 1062 C 4 H 4 0 32.9 128.44 11.09 9.79E-04 20 -6.33E-08 8.16E-08 3.26E-08 03/18/97 Yes Yes 310 172 1062 C 4 H 4 5 32.95 127.09 23.5 2.66E-03 20 -1.56E-07 2.11E-07 1.84E-07 03/18/97 Yes Yes 310 172 1062 C 4 H 4 10 33 130.24 45.16 3.11E-03 20 -1.50E-07 1.82E-07 3.83E-07 03/18/97 Yes Yes 310 172 1062 C 4 H 4 15 33.05 128.49 47.58 3.78E-03 20 -1.68E-07 2.16E-07 4.84E-07 03/18/97 Yes Yes 310 172 1062 C 4 H 4 20 33.1 126.84 43 4.30E-03 20 -2.00E-07 2.73E-07 5.08E-07 03/18/97 Yes Yes 310 172 1062 C 4 H 4 25 33.15 120.69 42.15 4.33E-03 20 -1.74E-07 2.99E-07 5.04E-07 03/18/97 Yes Yes 310 172 1062 C 4 H 4 30 33.2 123.81 42.87 4.48E-03 20 -1.94E-07 2.96E-07 5.28E-07 03/18/97 Yes Yes 310 172 1062 C 4 H 4 35 33.25 126.9 49.81 3.75E-03 20 -1.54E-07 2.10E-07 4.97E-07 03/18/97 Yes Yes 310 172 1062 C 4 H 4 40 33.3 106.5 57.14 3.03E-03 20 -4.95E-08 1.71E-07 4.41E-07 03/18/97 Yes Yes 310 172 1062 C 4 H 4 45 33.35 104.34 49.34 2.83E-03 20 -4.84E-08 1.93E-07 3.72E-07 03/18/97 Yes Yes 310 172 1062 C 4 H 4 50 33.4 100.96 30.97 3.02E-03 20 -5.23E-08 2.76E-07 2.70E-07 03/18/97 Yes Yes 310 172 1062 C 4 H 4 55 33.45 100.8 20.24 2.98E-03 20 -5.56E-08 2.98E-07 1.79E-07 03/18/97 Yes Yes 310 172 1062 C 4 H 4 60 33.5 107.86 23.34 2.27E-03 20 -6.77E-08 2.15E-07 1.56E-07 03/18/97 Yes Yes 310 172 1062 C 4 H 4 65 33.55 124.24 39.48 1.61E-03 20 -7.43E-08 1.12E-07 1.78E-07 03/18/97 Yes Yes 310 172 1062 C 4 H 4 70 33.6 141.83 42.63 1.62E-03 20 -9.93E-08 7.98E-08 1.90E-07 03/18/97 Yes Yes 310 172 1062 C 4 H 4 75 33.65 142.8 30.62 1.73E-03 20 -1.26E-07 9.78E-08 1.53E-07 03/18/97 Yes Yes 310 172 1062 C 4 H 4 80 33.7 156.42 33.38 1.43E-03 20 -1.16E-07 5.20E-08 1.37E-07 03/18/97 Yes Yes 310 172 1062 C 4 H 4 85 33.75 161.12 41.5 1.15E-03 20 -8.66E-08 3.03E-08 1.32E-07 03/18/97 Yes Yes 310 172 1062 C 4 H 4 90 33.8 169.2 56.77 9.75E-04 20 -5.57E-08 1.09E-08 1.41E-07 03/18/97 Yes Yes 310 172 1062 C 4 H 4 95 33.85 191.89 73.41 1.02E-03 20 -3.02E-08 -6.51E-09 1.69E-07 03/18/97 Yes Yes 310 172 1062 C 4 H 4 100 33.9 153.67 79.04 9.73E-04 20 -1.76E-08 8.90E-09 1.66E-07 03/18/97 Yes Yes 310 172 1062 C 4 H 4 105 33.95 93.47 70.61 8.70E-04 20 -1.85E-09 3.13E-08 1.42E-07 03/18/97 Yes Yes 310 172 1062 C 4 H 4 110 34 61.54 67.51 8.50E-04 20 1.64E-08 3.10E-08 1.36E-07 03/18/97 Yes Yes 310 172 1062 C 4 H 4 115 34.05 74.97 78.78 8.29E-04 20 4.43E-09 1.69E-08 1.41E-07 03/18/97 Yes Yes 310 172 1062 C 4 H 4 120 34.1 155.52 62.97 6.38E-04 20 -2.80E-08 1.30E-08 9.86E-08 03/18/97 Yes Yes 310 172 1062 C 4 H 4 125 34.15 197.88 49.72 4.66E-04 20 -3.04E-08 -1.00E-08 6.16E-08 03/18/97 Yes Yes 310 172 1062 C 4 H 4 130 34.2 262.32 35.21 4.28E-04 20 -4.95E-09 -3.76E-08 4.28E-08 03/18/97 Yes Yes 310 172 1062 C 4 H 4 135 34.25 297.04 16.95 7.07E-04 20 3.26E-08 -6.53E-08 3.57E-08 03/18/97 Yes Yes 310 172 1062 C 4 H 4 140 34.3 306.38 24.82 7.99E-04 20 4.56E-08 -6.33E-08 5.81E-08 03/18/97 Yes Yes 310 172 1062 C 4 H 4 145 34.35 323.73 48.15 5.75E-04 20 3.28E-08 -2.46E-08 7.43E-08 03/18/97 Yes Yes 310 172 1062 C 4 H 4 150 34.4 302.5 79.28 2.99E-04 20 3.17E-09 -5.08E-09 5.09E-08 03/18/97 Yes Yes 310 172 1062 C 4 H 5 0 34.4 346.72 54.1 2.09E-04 20 1.27E-08 -3.06E-09 2.94E-08 03/18/97 Yes Yes 312 172 1062 C 4 H 5 5 34.45 331.32 76.59 3.91E-04 20 8.44E-09 -4.72E-09 6.59E-08 03/18/97 Yes Yes 312 172 1062 C 4 H 5 10 34.5 192.57 74.41 4.85E-04 20 -1.35E-08 -3.08E-09 8.10E-08 03/18/97 Yes Yes 312 172 1062 C 4 H 5 15 34.55 121.37 71.83 6.01E-04 20 -1.03E-08 1.74E-08 9.90E-08 03/18/97 Yes Yes 312 172 1062 C 4 H 5 20 34.6 97.85 76.66 8.82E-04 20 -2.95E-09 2.18E-08 1.49E-07 03/18/97 Yes Yes 312 172 1062 C 4 H 5 25 34.65 127.89 77.98 1.07E-03 20 -1.45E-08 1.91E-08 1.82E-07 03/18/97 Yes Yes 312 172 1062 C 4 H 5 30 34.7 142.85 74.07 1.10E-03 20 -2.54E-08 1.97E-08 1.83E-07 03/18/97 Yes Yes 312 172 1062 C 4 H 5 35 34.75 128.58 69.88 1.06E-03 20 -2.42E-08 3.10E-08 1.73E-07 03/18/97 Yes Yes 312 172 1062 C 4 H 5 40 34.8 117.84 51.53 1.04E-03 20 -3.21E-08 6.23E-08 1.42E-07 03/18/97 Yes Yes 312 172 1062 C 4 H 5 45 34.85 127.65 39.7 1.08E-03 20 -5.36E-08 7.10E-08 1.19E-07 03/18/97 Yes Yes 312 172 1062 C 4 H 5 50 34.9 132.17 37.14 1.25E-03 20 -7.07E-08 7.98E-08 1.30E-07 03/18/97 Yes Yes 312 172 1062 C 4 H 5 55 34.95 119.87 44.25 1.10E-03 20 -4.15E-08 7.40E-08 1.33E-07 03/18/97 Yes Yes 312 172 1062 C 4 H 5 60 35 103.87 40.58 1.07E-03 20 -2.07E-08 8.57E-08 1.21E-07 03/18/97 Yes Yes 312 172 1062 C 4 H 5 65 35.05 112.57 29.09 1.27E-03 20 -4.51E-08 1.11E-07 1.07E-07 03/18/97 Yes Yes 312 172 1062 C 4 H 5 70 35.1 119.86 24.64 1.40E-03 20 -6.70E-08 1.19E-07 1.01E-07 03/18/97 Yes Yes 312 172 1062 C 4 H 5 75 35.15 119.81 23.84 1.48E-03 20 -7.12E-08 1.27E-07 1.03E-07 03/18/97 Yes Yes 312 172 1062 C 4 H 5 80 35.2 121.42 28.58 1.43E-03 20 -6.95E-08 1.16E-07 1.19E-07 03/18/97 Yes Yes 312 172 1062 C 4 H 5 85 35.25 131.63 33.63 1.58E-03 20 -9.25E-08 1.06E-07 1.51E-07 03/18/97 Yes Yes 312 172 1062 C 4 H 5 90 35.3 136.01 38.32 1.36E-03 20 -8.12E-08 8.01E-08 1.46E-07 03/18/97 Yes Yes 312 172 1062 C 4 H 5 95 35.35 135.75 48.06 1.08E-03 20 -5.47E-08 5.45E-08 1.39E-07 03/18/97 Yes Yes 312 172 1062 C 4 H 5 100 35.4 138.48 51.87 1.21E-03 20 -5.95E-08 5.39E-08 1.65E-07 03/18/97 Yes Yes 312 172 1062 C 4 H 5 105 35.45 152.97 50.09 1.26E-03 20 -7.61E-08 3.97E-08 1.67E-07 03/18/97 Yes Yes 312 172 1062 C 4 H 5 110 35.5 167.6 53.04 1.11E-03 20 -6.93E-08 1.56E-08 1.54E-07 03/18/97 Yes Yes 312 172 1062 C 4 H 5 115 35.55 167.27 53.12 1.03E-03 20 -6.38E-08 1.47E-08 1.42E-07 03/18/97 Yes Yes 312 172 1062 C 4 H 5 120 35.6 157.84 55.09 8.31E-04 20 -4.67E-08 1.95E-08 1.18E-07 03/18/97 Yes Yes 312 172 1062 C 4 H 5 125 35.65 146.52 49.96 8.24E-04 20 -4.69E-08 3.17E-08 1.09E-07 03/18/97 Yes Yes 312 172 1062 C 4 H 5 130 35.7 145.36 40.59 1.02E-03 20 -6.78E-08 4.79E-08 1.15E-07 03/18/97 Yes Yes 312 172 1062 C 4 H 5 135 35.75 139.84 37.68 1.12E-03 20 -7.21E-08 6.22E-08 1.19E-07 03/18/97 Yes Yes 312 172 1062 C 4 H 5 140 35.8 132.81 33.75 1.31E-03 20 -7.85E-08 8.66E-08 1.26E-07 03/18/97 Yes Yes 312 172 1062 C 4 H 5 145 35.85 129.38 34.16 1.18E-03 20 -6.57E-08 8.18E-08 1.15E-07 03/18/97 Yes Yes 312 172 1062 C 4 H 5 150 35.9 126.7 29.82 6.29E-04 20 -3.46E-08 4.75E-08 5.43E-08 03/18/97 Yes Yes 312 172 1062 C 4 H 6 0 35.9 121.6 52.55 3.06E-04 20 -1.03E-08 1.72E-08 4.21E-08 03/18/97 Yes Yes 314 172 1062 C 4 H 6 5 35.95 140 48.55 5.71E-04 20 -3.07E-08 2.64E-08 7.42E-08 03/18/97 Yes Yes 314 172 1062 C 4 H 6 10 36 146.85 58.64 4.84E-04 20 -2.24E-08 1.50E-08 7.17E-08 03/18/97 Yes Yes 314 172 1062 C 4 H 6 15 36.05 145.64 65.95 4.60E-04 20 -1.64E-08 1.15E-08 7.28E-08 03/18/97 Yes Yes 314 172 1062 C 4 H 6 20 36.1 128.88 72.04 5.07E-04 20 -1.04E-08 1.32E-08 8.36E-08 03/18/97 Yes Yes 314 172 1062 C 4 H 6 25 36.15 128.13 73.03 6.14E-04 20 -1.17E-08 1.53E-08 1.02E-07 03/18/97 Yes Yes 314 172 1062 C 4 H 6 30 36.2 121.12 73.5 7.82E-04 20 -1.22E-08 2.06E-08 1.30E-07 03/18/97 Yes Yes 314 172 1062 C 4 H 6 35 36.25 122.04 59.77 1.32E-03 20 -3.73E-08 6.09E-08 1.97E-07 03/18/97 Yes Yes 314 172 1062 C 4 H 6 40 36.3 135.69 49.79 2.15E-03 20 -1.06E-07 1.05E-07 2.85E-07 03/18/97 Yes Yes 314 172 1062 C 4 H 6 45 36.35 141.07 46.89 2.07E-03 20 -1.17E-07 9.64E-08 2.62E-07 03/18/97 Yes Yes 314 172 1062 C 4 H 6 50 36.4 135.91 55.79 1.41E-03 20 -6.06E-08 6.00E-08 2.03E-07 03/18/97 Yes Yes 314 172 1062 C 4 H 6 55 36.45 143.1 46.65 2.14E-03 20 -1.25E-07 9.58E-08 2.70E-07 03/18/97 Yes Yes 314 172 1062 C 4 H 6 60 36.5 152.76 42.02 3.03E-03 20 -2.12E-07 1.12E-07 3.52E-07 03/18/97 Yes Yes 314 172 1062 C 4 H 6 65 36.55 147.55 39.48 3.49E-03 20 -2.41E-07 1.57E-07 3.84E-07 03/18/97 Yes Yes 314 172 1062 C 4 H 6 70 36.6 143.94 39.46 3.10E-03 20 -2.05E-07 1.53E-07 3.42E-07 03/18/97 Yes Yes 314 172 1062 C 4 H 6 75 36.65 151.14 47.15 2.46E-03 20 -1.55E-07 8.76E-08 3.13E-07 03/18/97 Yes Yes 314 172 1062 C 4 H 6 80 36.7 151.94 52.63 2.75E-03 20 -1.56E-07 8.51E-08 3.78E-07 03/18/97 Yes Yes 314 172 1062 C 4 H 6 85 36.75 152.34 52.6 3.52E-03 20 -2.01E-07 1.08E-07 4.85E-07 03/18/97 Yes Yes 314 172 1062 C 4 H 6 90 36.8 148.44 46.43 4.04E-03 20 -2.52E-07 1.58E-07 5.08E-07 03/18/97 Yes Yes 314 172 1062 C 4 H 6 95 36.85 145.13 40.96 4.14E-03 20 -2.72E-07 1.94E-07 4.70E-07 03/18/97 Yes Yes 314 172 1062 C 4 H 6 100 36.9 143.63 38.03 4.04E-03 20 -2.72E-07 2.05E-07 4.32E-07 03/18/97 Yes Yes 314 172 1062 C 4 H 6 105 36.95 139.57 37.75 3.41E-03 20 -2.18E-07 1.90E-07 3.62E-07 03/18/97 Yes Yes 314 172 1062 C 4 H 6 110 37 137.61 39.36 2.85E-03 20 -1.73E-07 1.61E-07 3.14E-07 03/18/97 Yes Yes 314 172 1062 C 4 H 6 115 37.05 143.35 44.45 2.24E-03 20 -1.36E-07 1.04E-07 2.72E-07 03/18/97 Yes Yes 314 172 1062 C 4 H 6 120 37.1 139.7 54.03 1.53E-03 20 -7.29E-08 6.32E-08 2.15E-07 03/18/97 Yes Yes 314 172 1062 C 4 H 6 125 37.15 134.55 59.09 1.14E-03 20 -4.34E-08 4.51E-08 1.69E-07 03/18/97 Yes Yes 314 172 1062 C 4 H 6 130 37.2 147.4 60.8 9.27E-04 20 -4.04E-08 2.64E-08 1.40E-07 03/18/97 Yes Yes 314 172 1062 C 4 H 6 135 37.25 157.11 62.8 6.03E-04 20 -2.69E-08 1.16E-08 9.30E-08 03/18/97 Yes Yes 314 172 1062 C 4 H 6 140 37.3 340.07 35.99 4.72E-04 20 3.81E-08 -1.41E-08 4.80E-08 03/18/97 Yes Yes 314 172 1062 C 4 H 6 145 37.35 328.35 12.52 6.95E-04 20 6.13E-08 -3.86E-08 2.61E-08 03/18/97 Yes Yes 314 172 1062 C 4 H 6 150 37.4 322.95 10.16 5.47E-04 20 4.56E-08 -3.52E-08 1.67E-08 03/18/97 Yes Yes 314 172 1062 C 4 H 7 0 37.4 311.61 -19.7 1.39E-03 20 9.21E-08 -1.06E-07 -8.11E-08 03/18/97 Yes Yes 316 172 1062 C 4 H 7 5 37.45 314.25 -7.86 2.49E-03 20 1.82E-07 -1.91E-07 -5.89E-08 03/18/97 Yes Yes 316 172 1062 C 4 H 7 10 37.5 13.3 37 3.33E-04 20 2.75E-08 6.65E-09 3.48E-08 03/18/97 Yes Yes 316 172 1062 C 4 H 7 15 37.55 133.1 28.39 8.26E-04 20 -5.27E-08 5.75E-08 6.81E-08 03/18/97 Yes Yes 316 172 1062 C 4 H 7 20 37.6 137.19 36.39 5.56E-04 20 -3.48E-08 3.30E-08 5.72E-08 03/18/97 Yes Yes 316 172 1062 C 4 H 7 25 37.65 131.43 54.47 4.31E-04 20 -1.76E-08 2.04E-08 6.08E-08 03/18/97 Yes Yes 316 172 1062 C 4 H 7 30 37.7 50.34 71.82 5.21E-04 20 1.10E-08 1.36E-08 8.58E-08 03/18/97 Yes Yes 316 172 1062 C 4 H 7 35 37.75 96.23 57.2 1.08E-03 20 -6.75E-09 6.32E-08 1.58E-07 03/18/97 Yes Yes 316 172 1062 C 4 H 7 40 37.8 128.09 53.52 1.53E-03 20 -5.94E-08 7.75E-08 2.13E-07 03/18/97 Yes Yes 316 172 1062 C 4 H 7 45 37.85 161.83 56.29 2.32E-03 20 -1.30E-07 4.36E-08 3.35E-07 03/18/97 Yes Yes 316 172 1062 C 4 H 7 50 37.9 157.76 42.48 3.56E-03 20 -2.58E-07 1.08E-07 4.17E-07 03/18/97 Yes Yes 316 172 1062 C 4 H 7 55 37.95 144.43 35.19 3.84E-03 20 -2.71E-07 1.98E-07 3.84E-07 03/18/97 Yes Yes 316 172 1062 C 4 H 7 60 38 122.35 32.65 3.31E-03 20 -1.58E-07 2.56E-07 3.10E-07 03/18/97 Yes Yes 316 172 1062 C 5 H 1 0 37.9 166.23 62.81 2.03E-02 20 -9.53E-07 2.39E-07 3.12E-06 03/18/97 Yes Yes 318 172 1062 C 5 H 1 5 37.95 152.46 52.24 1.94E-02 20 -1.12E-06 5.96E-07 2.66E-06 03/18/97 Yes Yes 318 172 1062 C 5 H 1 10 38 358.57 69.1 8.03E-03 20 3.04E-07 -7.77E-09 1.30E-06 03/18/97 Yes Yes 318 172 1062 C 5 H 1 15 38.05 5.4 62.88 3.97E-03 20 1.91E-07 1.85E-08 6.13E-07 03/18/97 Yes Yes 318 172 1062 C 5 H 1 20 38.1 64.68 53.4 2.56E-03 20 6.92E-08 1.50E-07 3.56E-07 03/18/97 Yes Yes 318 172 1062 C 5 H 1 25 38.15 83.49 35.78 7.73E-03 20 7.54E-08 6.76E-07 7.83E-07 03/18/97 Yes Yes 318 172 1062 C 5 H 1 30 38.2 99.79 34.93 9.90E-03 20 -1.46E-07 8.67E-07 9.83E-07 03/18/97 Yes Yes 318 172 1062 C 5 H 1 35 38.25 103.04 33.76 1.14E-02 20 -2.26E-07 9.98E-07 1.09E-06 03/18/97 Yes Yes 318 172 1062 C 5 H 1 40 38.3 101.01 35.8 1.20E-02 20 -1.98E-07 1.04E-06 1.22E-06 03/18/97 Yes Yes 318 172 1062 C 5 H 1 45 38.35 100.86 37.87 1.12E-02 20 -1.77E-07 9.43E-07 1.19E-06 03/18/97 Yes Yes 318 172 1062 C 5 H 1 50 38.4 102.22 41.44 1.13E-02 20 -1.90E-07 8.98E-07 1.30E-06 03/18/97 Yes Yes 318 172 1062 C 5 H 1 55 38.45 108.09 44.82 1.19E-02 20 -2.78E-07 8.69E-07 1.45E-06 03/18/97 Yes Yes 318 172 1062 C 5 H 1 60 38.5 115.8 45.85 1.23E-02 20 -3.97E-07 8.40E-07 1.54E-06 03/18/97 Yes Yes 318 172 1062 C 5 H 1 65 38.55 117.87 48.12 1.12E-02 20 -3.71E-07 7.18E-07 1.45E-06 03/18/97 Yes Yes 318 172 1062 C 5 H 1 70 38.6 115.6 43.07 1.28E-02 20 -4.30E-07 9.18E-07 1.52E-06 03/18/97 Yes Yes 318 172 1062 C 5 H 1 75 38.65 115.68 42.14 1.32E-02 20 -4.51E-07 9.59E-07 1.54E-06 03/18/97 Yes Yes 318 172 1062 C 5 H 1 80 38.7 104.02 46.45 1.33E-02 20 -2.36E-07 9.66E-07 1.67E-06 03/18/97 Yes Yes 318 172 1062 C 5 H 1 85 38.75 95.58 48.79 1.51E-02 20 -1.02E-07 1.07E-06 1.97E-06 03/18/97 Yes Yes 318 172 1062 C 5 H 1 90 38.8 91.94 51.18 1.67E-02 20 -3.75E-08 1.13E-06 2.25E-06 03/18/97 Yes Yes 318 172 1062 C 5 H 1 95 38.85 91.09 47.29 1.80E-02 20 -2.47E-08 1.33E-06 2.30E-06 03/18/97 Yes Yes 318 172 1062 C 5 H 1 100 38.9 94.19 41.1 1.56E-02 20 -9.11E-08 1.27E-06 1.78E-06 03/18/97 Yes Yes 318 172 1062 C 5 H 1 105 38.95 97.96 37.31 1.44E-02 20 -1.68E-07 1.23E-06 1.51E-06 03/18/97 Yes Yes 318 172 1062 C 5 H 1 110 39 103.48 39.22 1.35E-02 20 -2.58E-07 1.10E-06 1.48E-06 03/18/97 Yes Yes 318 172 1062 C 5 H 1 115 39.05 103.31 47.62 1.08E-02 20 -1.78E-07 7.68E-07 1.38E-06 03/18/97 Yes Yes 318 172 1062 C 5 H 1 120 39.1 92.11 55.16 7.97E-03 20 -1.78E-08 4.94E-07 1.13E-06 03/18/97 Yes Yes 318 172 1062 C 5 H 1 125 39.15 82.41 47.67 8.94E-03 20 8.44E-08 6.47E-07 1.15E-06 03/18/97 Yes Yes 318 172 1062 C 5 H 1 130 39.2 89.03 42.49 1.15E-02 20 1.53E-08 9.21E-07 1.35E-06 03/18/97 Yes Yes 318 172 1062 C 5 H 1 135 39.25 93.19 41.21 1.22E-02 20 -5.41E-08 9.92E-07 1.39E-06 03/18/97 Yes Yes 318 172 1062 C 5 H 1 140 39.3 89.5 43.37 1.13E-02 20 7.60E-09 8.88E-07 1.34E-06 03/18/97 Yes Yes 318 172 1062 C 5 H 1 145 39.35 85.74 40.73 1.04E-02 20 6.20E-08 8.51E-07 1.18E-06 03/18/97 Yes Yes 318 172 1062 C 5 H 1 150 39.4 97.5 41.96 5.96E-03 20 -6.13E-08 4.76E-07 6.90E-07 03/18/97 Yes Yes 318 172 1062 C 5 H 2 0 39.4 74.03 46.69 4.61E-03 20 9.24E-08 3.30E-07 5.82E-07 03/18/97 Yes Yes 320 172 1062 C 5 H 2 5 39.45 83.91 41.13 9.34E-03 20 7.92E-08 7.59E-07 1.07E-06 03/18/97 Yes Yes 320 172 1062 C 5 H 2 10 39.5 90.36 46.16 1.05E-02 20 -4.82E-09 7.88E-07 1.31E-06 03/18/97 Yes Yes 320 172 1062 C 5 H 2 15 39.55 108.25 38.66 1.56E-02 20 -4.03E-07 1.25E-06 1.68E-06 03/18/97 Yes Yes 320 172 1062 C 5 H 2 20 39.6 115.98 39.7 1.65E-02 20 -5.88E-07 1.23E-06 1.82E-06 03/18/97 Yes Yes 320 172 1062 C 5 H 2 25 39.65 112.12 47.98 1.28E-02 20 -3.43E-07 8.63E-07 1.65E-06 03/18/97 Yes Yes 320 172 1062 C 5 H 2 30 39.7 103 41.88 1.45E-02 20 -2.58E-07 1.14E-06 1.68E-06 03/18/97 Yes Yes 320 172 1062 C 5 H 2 35 39.75 101.83 35.11 1.48E-02 20 -2.63E-07 1.28E-06 1.47E-06 03/18/97 Yes Yes 320 172 1062 C 5 H 2 40 39.8 101.67 33.5 9.77E-03 20 -1.75E-07 8.65E-07 9.34E-07 03/18/97 Yes Yes 320 172 1062 C 5 H 2 45 39.85 99.34 32.24 6.64E-03 20 -9.67E-08 6.01E-07 6.14E-07 03/18/97 Yes Yes 320 172 1062 C 5 H 2 50 39.9 106.74 32.01 6.36E-03 20 -1.65E-07 5.60E-07 5.84E-07 03/18/97 Yes Yes 320 172 1062 C 5 H 2 55 39.95 109.76 31.94 7.36E-03 20 -2.24E-07 6.37E-07 6.75E-07 03/18/97 Yes Yes 320 172 1062 C 5 H 2 60 40 110 33.23 8.91E-03 20 -2.70E-07 7.60E-07 8.47E-07 03/18/97 Yes Yes 320 172 1062 C 5 H 2 65 40.05 103.34 37.58 9.52E-03 20 -1.85E-07 7.96E-07 1.01E-06 03/18/97 Yes Yes 320 172 1062 C 5 H 2 70 40.1 94.06 41.79 7.85E-03 20 -4.39E-08 6.33E-07 9.06E-07 03/18/97 Yes Yes 320 172 1062 C 5 H 2 75 40.15 98.63 38.24 7.11E-03 20 -8.89E-08 5.99E-07 7.63E-07 03/18/97 Yes Yes 320 172 1062 C 5 H 2 80 40.2 106.72 41.1 4.92E-03 20 -1.13E-07 3.85E-07 5.60E-07 03/18/97 Yes Yes 320 172 1062 C 5 H 2 85 40.25 99.74 40.5 4.61E-03 20 -6.28E-08 3.74E-07 5.19E-07 03/18/97 Yes Yes 320 172 1062 C 5 H 2 90 40.3 100.01 32.81 7.09E-03 20 -1.10E-07 6.36E-07 6.66E-07 03/18/97 Yes Yes 320 172 1062 C 5 H 2 95 40.35 101.99 35.09 6.72E-03 20 -1.21E-07 5.84E-07 6.70E-07 03/18/97 Yes Yes 320 172 1062 C 5 H 2 100 40.4 103 35.58 6.33E-03 20 -1.23E-07 5.44E-07 6.38E-07 03/18/97 Yes Yes 320 172 1062 C 5 H 2 105 40.45 101.84 39.94 4.51E-03 20 -7.53E-08 3.67E-07 5.02E-07 03/18/97 Yes Yes 320 172 1062 C 5 H 2 110 40.5 96.26 50.02 2.53E-03 20 -1.88E-08 1.75E-07 3.36E-07 03/18/97 Yes Yes 320 172 1062 C 5 H 2 115 40.55 92.64 53.35 1.79E-03 20 -5.22E-09 1.16E-07 2.49E-07 03/18/97 Yes Yes 320 172 1062 C 5 H 2 120 40.6 0.25 74.5 5.86E-04 20 1.66E-08 7.27E-11 9.78E-08 03/18/97 Yes Yes 320 172 1062 C 5 H 2 125 40.65 296.8 -11.65 1.59E-03 20 7.46E-08 -1.51E-07 -5.57E-08 03/18/97 Yes Yes 320 172 1062 C 5 H 2 130 40.7 306.34 -14.78 1.33E-03 20 8.09E-08 -1.12E-07 -5.89E-08 03/18/97 Yes Yes 320 172 1062 C 5 H 2 135 40.75 41.16 36.75 7.59E-04 20 4.85E-08 4.34E-08 7.87E-08 03/18/97 Yes Yes 320 172 1062 C 5 H 2 140 40.8 91.66 31.46 2.30E-03 20 -6.05E-09 2.13E-07 2.08E-07 03/18/97 Yes Yes 320 172 1062 C 5 H 2 145 40.85 110.57 31.07 1.69E-03 20 -5.40E-08 1.47E-07 1.51E-07 03/18/97 Yes Yes 320 172 1062 C 5 H 2 150 40.9 188.72 63.26 2.80E-04 20 -1.32E-08 -2.07E-09 4.33E-08 03/18/97 Yes Yes 320 172 1062 C 5 H 3 0 40.9 76.36 82.92 4.04E-04 20 1.25E-09 5.25E-09 6.95E-08 03/18/97 Yes Yes 322 172 1062 C 5 H 3 5 40.95 116.18 58.01 1.26E-03 20 -3.13E-08 6.51E-08 1.86E-07 03/18/97 Yes Yes 322 172 1062 C 5 H 3 10 41 109.2 57.66 2.12E-03 20 -3.96E-08 1.16E-07 3.11E-07 03/18/97 Yes Yes 322 172 1062 C 5 H 3 15 41.05 107.2 50.05 3.42E-03 20 -6.88E-08 2.27E-07 4.54E-07 03/18/97 Yes Yes 322 172 1062 C 5 H 3 20 41.1 114.27 41.13 5.18E-03 20 -1.70E-07 3.86E-07 5.91E-07 03/18/97 Yes Yes 322 172 1062 C 5 H 3 25 41.15 115.14 35.89 5.87E-03 20 -2.14E-07 4.67E-07 5.96E-07 03/18/97 Yes Yes 322 172 1062 C 5 H 3 30 41.2 111.27 34.71 5.35E-03 20 -1.69E-07 4.44E-07 5.28E-07 03/18/97 Yes Yes 322 172 1062 C 5 H 3 35 41.25 107.19 43.47 4.34E-03 20 -9.87E-08 3.26E-07 5.18E-07 03/18/97 Yes Yes 322 172 1062 C 5 H 3 40 41.3 110.18 51.25 4.80E-03 20 -1.10E-07 3.06E-07 6.49E-07 03/18/97 Yes Yes 322 172 1062 C 5 H 3 45 41.35 104.33 44.18 6.50E-03 20 -1.22E-07 4.90E-07 7.85E-07 03/18/97 Yes Yes 322 172 1062 C 5 H 3 50 41.4 92.86 41.15 7.25E-03 20 -2.89E-08 5.91E-07 8.27E-07 03/18/97 Yes Yes 322 172 1062 C 5 H 3 55 41.45 86.62 36.67 7.80E-03 20 3.92E-08 6.78E-07 8.08E-07 03/18/97 Yes Yes 322 172 1062 C 5 H 3 60 41.5 90.17 33.6 7.50E-03 20 -1.91E-09 6.78E-07 7.20E-07 03/18/97 Yes Yes 322 172 1062 C 5 H 3 65 41.55 95.11 29.8 6.58E-03 20 -5.40E-08 6.17E-07 5.67E-07 03/18/97 Yes Yes 322 172 1062 C 5 H 3 70 41.6 101.38 33.73 5.27E-03 20 -9.17E-08 4.66E-07 5.07E-07 03/18/97 Yes Yes 322 172 1062 C 5 H 3 75 41.65 101.33 49.77 4.97E-03 20 -6.70E-08 3.42E-07 6.58E-07 03/18/97 Yes Yes 322 172 1062 C 5 H 3 80 41.7 103.23 53.1 7.69E-03 20 -1.12E-07 4.87E-07 1.07E-06 03/18/97 Yes Yes 322 172 1062 C 5 H 3 85 41.75 111.02 45.08 1.37E-02 20 -3.67E-07 9.78E-07 1.68E-06 03/18/97 Yes Yes 322 172 1062 C 5 H 3 90 41.8 113.86 45.52 1.59E-02 20 -4.77E-07 1.10E-06 1.96E-06 03/18/97 Yes Yes 322 172 1062 C 5 H 3 95 41.85 116.45 43.22 1.78E-02 20 -6.14E-07 1.26E-06 2.12E-06 03/18/97 Yes Yes 322 172 1062 C 5 H 3 100 41.9 112.83 34.04 2.05E-02 20 -6.99E-07 1.70E-06 1.99E-06 03/18/97 Yes Yes 322 172 1062 C 5 H 3 105 41.95 116.33 39.8 1.74E-02 20 -6.28E-07 1.30E-06 1.93E-06 03/18/97 Yes Yes 322 172 1062 C 5 H 3 110 42 117.87 46.38 1.38E-02 20 -4.72E-07 9.13E-07 1.73E-06 03/18/97 Yes Yes 322 172 1062 C 5 H 3 115 42.05 113.68 46.59 1.31E-02 20 -3.84E-07 8.95E-07 1.65E-06 03/18/97 Yes Yes 322 172 1062 C 5 H 3 120 42.1 102.72 47.84 1.40E-02 20 -2.20E-07 9.96E-07 1.80E-06 03/18/97 Yes Yes 322 172 1062 C 5 H 3 125 42.15 98.15 52.36 1.47E-02 20 -1.35E-07 9.67E-07 2.02E-06 03/18/97 Yes Yes 322 172 1062 C 5 H 3 130 42.2 94.06 49.34 1.53E-02 20 -7.51E-08 1.08E-06 2.02E-06 03/18/97 Yes Yes 322 172 1062 C 5 H 3 135 42.25 97.16 43.67 1.48E-02 20 -1.42E-07 1.16E-06 1.78E-06 03/18/97 Yes Yes 322 172 1062 C 5 H 3 140 42.3 96.67 34.2 1.88E-02 20 -1.92E-07 1.67E-06 1.83E-06 03/18/97 Yes Yes 322 172 1062 C 5 H 3 145 42.35 99.51 28.48 2.18E-02 20 -3.35E-07 2.05E-06 1.80E-06 03/18/97 Yes Yes 322 172 1062 C 5 H 3 150 42.4 104.4 30.55 1.30E-02 20 -2.96E-07 1.18E-06 1.15E-06 03/18/97 Yes Yes 322 172 1062 C 5 H 4 0 42.4 88.1 47.79 8.48E-03 20 2.01E-08 6.18E-07 1.09E-06 03/18/97 Yes Yes 324 172 1062 C 5 H 4 5 42.45 101.52 38.12 1.91E-02 20 -3.18E-07 1.59E-06 2.04E-06 03/18/97 Yes Yes 324 172 1062 C 5 H 4 10 42.5 105.49 44.26 1.64E-02 20 -3.33E-07 1.23E-06 1.99E-06 03/18/97 Yes Yes 324 172 1062 C 5 H 4 15 42.55 114.34 52.35 1.14E-02 20 -3.06E-07 6.91E-07 1.57E-06 03/18/97 Yes Yes 324 172 1062 C 5 H 4 20 42.6 126.69 63.78 6.52E-03 20 -1.83E-07 2.51E-07 1.01E-06 03/18/97 Yes Yes 324 172 1062 C 5 H 4 25 42.65 109.52 65.06 4.92E-03 20 -7.35E-08 2.12E-07 7.74E-07 03/18/97 Yes Yes 324 172 1062 C 5 H 4 30 42.7 108.01 52.3 5.23E-03 20 -1.05E-07 3.30E-07 7.17E-07 03/18/97 Yes Yes 324 172 1062 C 5 H 4 35 42.75 104.7 43.2 4.82E-03 20 -9.45E-08 3.68E-07 5.72E-07 03/18/97 Yes Yes 324 172 1062 C 5 H 4 40 42.8 98.23 36.31 4.30E-03 20 -5.26E-08 3.72E-07 4.41E-07 03/18/97 Yes Yes 324 172 1062 C 5 H 4 45 42.85 99.95 35.58 3.28E-03 20 -4.90E-08 2.85E-07 3.31E-07 03/18/97 Yes Yes 324 172 1062 C 5 H 4 50 42.9 119.02 43 2.27E-03 20 -8.52E-08 1.57E-07 2.68E-07 03/18/97 Yes Yes 324 172 1062 C 5 H 4 55 42.95 126.39 49.5 1.51E-03 20 -6.17E-08 8.57E-08 1.99E-07 03/18/97 Yes Yes 324 172 1062 C 5 H 4 60 43 98.98 61.4 1.03E-03 20 -8.18E-09 5.29E-08 1.57E-07 03/18/97 Yes Yes 324 172 1062 C 5 H 4 65 43.05 101.31 61.61 9.65E-04 20 -9.54E-09 4.88E-08 1.47E-07 03/18/97 Yes Yes 324 172 1062 C 5 H 4 70 43.1 76.52 65.61 1.03E-03 20 1.05E-08 4.50E-08 1.63E-07 03/18/97 Yes Yes 324 172 1062 C 5 H 4 75 43.15 96.88 51.31 1.48E-03 20 -1.18E-08 9.98E-08 2.01E-07 03/18/97 Yes Yes 324 172 1062 C 5 H 4 80 43.2 106.25 42.87 2.14E-03 20 -4.65E-08 1.63E-07 2.52E-07 03/18/97 Yes Yes 324 172 1062 C 5 H 4 85 43.25 114.74 40.05 3.39E-03 20 -1.15E-07 2.56E-07 3.79E-07 03/18/97 Yes Yes 324 172 1062 C 5 H 4 90 43.3 119.89 41.4 5.30E-03 20 -2.10E-07 3.74E-07 6.07E-07 03/18/97 Yes Yes 324 172 1062 C 5 H 4 95 43.35 123.24 43.47 7.49E-03 20 -3.16E-07 4.93E-07 8.93E-07 03/18/97 Yes Yes 324 172 1062 C 5 H 4 100 43.4 127.47 44.26 7.57E-03 20 -3.50E-07 4.67E-07 9.16E-07 03/18/97 Yes Yes 324 172 1062 C 5 H 4 105 43.45 132.21 47.49 5.89E-03 20 -2.84E-07 3.20E-07 7.53E-07 03/18/97 Yes Yes 324 172 1062 C 5 H 4 110 43.5 115.61 46.72 5.29E-03 20 -1.66E-07 3.55E-07 6.68E-07 03/18/97 Yes Yes 324 172 1062 C 5 H 4 115 43.55 107.07 44.09 5.55E-03 20 -1.24E-07 4.13E-07 6.69E-07 03/18/97 Yes Yes 324 172 1062 C 5 H 4 120 43.6 106.62 36.05 4.85E-03 20 -1.19E-07 4.07E-07 4.94E-07 03/18/97 Yes Yes 324 172 1062 C 5 H 4 125 43.65 109.88 34.41 3.45E-03 20 -1.03E-07 2.91E-07 3.38E-07 03/18/97 Yes Yes 324 172 1062 C 5 H 4 130 43.7 124.16 43.41 2.33E-03 20 -1.01E-07 1.52E-07 2.78E-07 03/18/97 Yes Yes 324 172 1062 C 5 H 4 135 43.75 130.02 41.39 2.61E-03 20 -1.34E-07 1.63E-07 2.99E-07 03/18/97 Yes Yes 324 172 1062 C 5 H 4 140 43.8 128.09 30.98 4.15E-03 20 -2.33E-07 3.03E-07 3.70E-07 03/18/97 Yes Yes 324 172 1062 C 5 H 4 145 43.85 126.27 26.35 5.14E-03 20 -2.89E-07 4.03E-07 3.95E-07 03/18/97 Yes Yes 324 172 1062 C 5 H 4 150 43.9 126.4 27.17 3.03E-03 20 -1.70E-07 2.35E-07 2.40E-07 03/18/97 Yes Yes 324 172 1062 C 5 H 5 0 43.9 110.81 37.88 1.91E-03 20 -5.69E-08 1.53E-07 2.04E-07 03/18/97 Yes Yes 326 172 1062 C 5 H 5 5 43.95 117.51 28.31 4.32E-03 20 -1.86E-07 3.66E-07 3.55E-07 03/18/97 Yes Yes 326 172 1062 C 5 H 5 10 44 117.06 33.29 3.33E-03 20 -1.34E-07 2.69E-07 3.17E-07 03/18/97 Yes Yes 326 172 1062 C 5 H 5 15 44.05 108.81 33.95 3.42E-03 20 -9.70E-08 2.91E-07 3.31E-07 03/18/97 Yes Yes 326 172 1062 C 5 H 5 20 44.1 109.97 30.39 4.72E-03 20 -1.48E-07 4.15E-07 4.14E-07 03/18/97 Yes Yes 326 172 1062 C 5 H 5 25 44.15 111.76 31.05 6.27E-03 20 -2.11E-07 5.41E-07 5.60E-07 03/18/97 Yes Yes 326 172 1062 C 5 H 5 30 44.2 115.45 32.35 9.27E-03 20 -3.57E-07 7.67E-07 8.60E-07 03/18/97 Yes Yes 326 172 1062 C 5 H 5 35 44.25 122.09 34.74 1.17E-02 20 -5.43E-07 8.85E-07 1.16E-06 03/18/97 Yes Yes 326 172 1062 C 5 H 5 40 44.3 127.18 41.41 1.21E-02 20 -5.83E-07 7.86E-07 1.39E-06 03/18/97 Yes Yes 326 172 1062 C 5 H 5 45 44.35 124.71 45.65 1.29E-02 20 -5.46E-07 8.06E-07 1.60E-06 03/18/97 Yes Yes 326 172 1062 C 5 H 5 50 44.4 113.28 46.79 1.36E-02 20 -3.92E-07 9.31E-07 1.72E-06 03/18/97 Yes Yes 326 172 1062 C 5 H 5 55 44.45 105.67 41.6 1.63E-02 20 -3.48E-07 1.27E-06 1.87E-06 03/18/97 Yes Yes 326 172 1062 C 5 H 5 60 44.5 107.23 40 1.60E-02 20 -3.85E-07 1.27E-06 1.78E-06 03/18/97 Yes Yes 326 172 1062 C 5 H 5 65 44.55 108.6 39.81 1.39E-02 20 -3.61E-07 1.10E-06 1.54E-06 03/18/97 Yes Yes 326 172 1062 C 5 H 5 70 44.6 120.74 33.31 1.47E-02 20 -6.68E-07 1.15E-06 1.40E-06 03/18/97 Yes Yes 326 172 1062 C 5 H 5 75 44.65 128.02 27.02 1.74E-02 20 -1.01E-06 1.33E-06 1.37E-06 03/18/97 Yes Yes 326 172 1062 C 5 H 5 80 44.7 132.15 25.48 1.57E-02 20 -1.01E-06 1.14E-06 1.17E-06 03/18/97 Yes Yes 326 172 1062 C 5 H 5 85 44.75 135.48 26.91 1.49E-02 20 -1.01E-06 1.01E-06 1.17E-06 03/18/97 Yes Yes 326 172 1062 C 5 H 5 90 44.8 132.13 39.03 1.29E-02 20 -7.12E-07 8.05E-07 1.41E-06 03/18/97 Yes Yes 326 172 1062 C 5 H 5 95 44.85 115.93 61.36 1.00E-02 20 -2.22E-07 4.68E-07 1.52E-06 03/18/97 Yes Yes 326 172 1062 C 5 H 5 100 44.9 102.92 65.24 1.17E-02 20 -1.16E-07 5.19E-07 1.84E-06 03/18/97 Yes Yes 326 172 1062 C 5 H 5 105 44.95 119.84 43.46 1.62E-02 20 -6.22E-07 1.11E-06 1.94E-06 03/18/97 Yes Yes 326 172 1062 C 5 H 5 110 45 121.04 33.5 1.39E-02 20 -6.36E-07 1.08E-06 1.33E-06 03/18/97 Yes Yes 326 172 1062 C 5 H 5 115 45.05 121.42 33.7 1.23E-02 20 -5.64E-07 9.45E-07 1.18E-06 03/18/97 Yes Yes 326 172 1062 C 5 H 5 120 45.1 119.45 36.74 1.38E-02 20 -5.76E-07 1.04E-06 1.43E-06 03/18/97 Yes Yes 326 172 1062 C 5 H 5 125 45.15 117.8 29.2 2.16E-02 20 -9.33E-07 1.81E-06 1.83E-06 03/18/97 Yes Yes 326 172 1062 C 5 H 5 130 45.2 119.77 27.73 2.26E-02 20 -1.05E-06 1.88E-06 1.82E-06 03/18/97 Yes Yes 326 172 1062 C 5 H 5 135 45.25 119.74 28.35 1.57E-02 20 -7.25E-07 1.30E-06 1.29E-06 03/18/97 Yes Yes 326 172 1062 C 5 H 5 140 45.3 122.42 36.49 8.30E-03 20 -3.79E-07 6.11E-07 8.56E-07 03/18/97 Yes Yes 326 172 1062 C 5 H 5 145 45.35 130.56 37.65 6.31E-03 20 -3.44E-07 4.11E-07 6.68E-07 03/18/97 Yes Yes 326 172 1062 C 5 H 5 150 45.4 134.96 33.16 4.27E-03 20 -2.68E-07 2.74E-07 4.05E-07 03/18/97 Yes Yes 326 172 1062 C 5 H 6 0 45.4 125.39 36.28 5.11E-03 20 -2.53E-07 3.64E-07 5.24E-07 03/18/97 Yes Yes 328 172 1062 C 5 H 6 5 45.45 128.69 30.09 1.13E-02 20 -6.50E-07 8.30E-07 9.85E-07 03/18/97 Yes Yes 328 172 1062 C 5 H 6 10 45.5 129.95 39.85 1.01E-02 20 -5.26E-07 6.42E-07 1.12E-06 03/18/97 Yes Yes 328 172 1062 C 5 H 6 15 45.55 126.94 39.47 1.07E-02 20 -5.25E-07 7.14E-07 1.18E-06 03/18/97 Yes Yes 328 172 1062 C 5 H 6 20 45.6 130.28 33.71 1.11E-02 20 -6.34E-07 7.66E-07 1.07E-06 03/18/97 Yes Yes 328 172 1062 C 5 H 6 25 45.65 132.84 30.12 9.24E-03 20 -5.76E-07 6.36E-07 8.04E-07 03/18/97 Yes Yes 328 172 1062 C 5 H 6 30 45.7 132.6 30.93 7.17E-03 20 -4.41E-07 4.91E-07 6.39E-07 03/18/97 Yes Yes 328 172 1062 C 5 H 6 35 45.75 146.95 38.33 5.79E-03 20 -4.04E-07 2.68E-07 6.22E-07 03/18/97 Yes Yes 328 172 1062 C 5 H 6 40 45.8 164.41 40.16 6.46E-03 20 -5.04E-07 1.44E-07 7.22E-07 03/18/97 Yes Yes 328 172 1062 C 5 H 6 45 45.85 162.79 35.29 9.49E-03 20 -7.85E-07 2.49E-07 9.51E-07 03/18/97 Yes Yes 328 172 1062 C 5 H 6 50 45.9 153.32 35.35 1.06E-02 20 -8.17E-07 4.20E-07 1.06E-06 03/18/97 Yes Yes 328 172 1062 C 5 H 6 55 45.95 137.63 43.33 8.06E-03 20 -4.60E-07 4.29E-07 9.59E-07 03/18/97 Yes Yes 328 172 1062 C 5 H 6 60 46 123.33 43.42 8.38E-03 20 -3.55E-07 5.52E-07 9.98E-07 03/18/97 Yes Yes 328 172 1062 C 5 H 6 65 46.05 118.71 41.34 8.79E-03 20 -3.36E-07 6.28E-07 1.01E-06 03/18/97 Yes Yes 328 172 1062 C 5 H 6 70 46.1 121.53 37.95 1.06E-02 20 -4.65E-07 7.75E-07 1.13E-06 03/18/97 Yes Yes 328 172 1062 C 5 H 6 75 46.15 131.36 32.27 1.32E-02 20 -7.85E-07 9.11E-07 1.23E-06 03/18/97 Yes Yes 328 172 1062 C 5 H 6 80 46.2 133.89 36.63 1.01E-02 20 -5.93E-07 6.31E-07 1.04E-06 03/18/97 Yes Yes 328 172 1062 C 5 H 6 85 46.25 130.35 42.89 7.72E-03 20 -3.88E-07 4.67E-07 9.10E-07 03/18/97 Yes Yes 328 172 1062 C 5 H 6 90 46.3 138.2 53.37 5.91E-03 20 -2.79E-07 2.55E-07 8.22E-07 03/18/97 Yes Yes 328 172 1062 C 5 H 6 95 46.35 143.3 51.14 6.78E-03 20 -3.62E-07 2.76E-07 9.15E-07 03/18/97 Yes Yes 328 172 1062 C 5 H 6 100 46.4 136.51 34.78 1.22E-02 20 -7.68E-07 7.45E-07 1.20E-06 03/18/97 Yes Yes 328 172 1062 C 5 H 6 105 46.45 131.1 29.05 1.45E-02 20 -8.81E-07 1.03E-06 1.22E-06 03/18/97 Yes Yes 328 172 1062 C 5 H 6 110 46.5 123.71 34.05 1.14E-02 20 -5.55E-07 8.50E-07 1.10E-06 03/18/97 Yes Yes 328 172 1062 C 5 H 6 115 46.55 123.09 39.16 1.05E-02 20 -4.73E-07 7.43E-07 1.15E-06 03/18/97 Yes Yes 328 172 1062 C 5 H 6 120 46.6 125.39 40.11 1.03E-02 20 -4.85E-07 6.98E-07 1.15E-06 03/18/97 Yes Yes 328 172 1062 C 5 H 6 125 46.65 127.86 47.13 7.60E-03 20 -3.37E-07 4.43E-07 9.66E-07 03/18/97 Yes Yes 328 172 1062 C 5 H 6 130 46.7 145.29 52.06 6.12E-03 20 -3.28E-07 2.32E-07 8.37E-07 03/18/97 Yes Yes 328 172 1062 C 5 H 6 135 46.75 138.95 47.98 6.51E-03 20 -3.48E-07 3.10E-07 8.38E-07 03/18/97 Yes Yes 328 172 1062 C 5 H 6 140 46.8 124.68 34.69 1.04E-02 20 -5.15E-07 7.61E-07 1.02E-06 03/18/97 Yes Yes 328 172 1062 C 5 H 6 145 46.85 116.83 26.38 1.47E-02 20 -6.30E-07 1.27E-06 1.13E-06 03/18/97 Yes Yes 328 172 1062 C 5 H 6 150 46.9 117.31 32.12 7.48E-03 20 -3.08E-07 6.10E-07 6.89E-07 03/18/97 Yes Yes 328 172 1062 C 5 H 7 0 46.9 81.76 34.49 4.16E-03 20 5.21E-08 3.68E-07 4.09E-07 03/18/97 Yes Yes 330 172 1062 C 5 H 7 5 46.95 86.36 29.91 8.77E-03 20 5.11E-08 8.23E-07 7.58E-07 03/18/97 Yes Yes 330 172 1062 C 5 H 7 10 47 90.27 35.22 8.10E-03 20 -3.36E-09 7.18E-07 8.10E-07 03/18/97 Yes Yes 330 172 1062 C 5 H 7 15 47.05 100.81 42.27 5.25E-03 20 -7.72E-08 4.14E-07 6.12E-07 03/18/97 Yes Yes 330 172 1062 C 5 H 7 20 47.1 109.97 47.73 3.30E-03 20 -8.05E-08 2.26E-07 4.24E-07 03/18/97 Yes Yes 330 172 1062 C 5 H 7 25 47.15 100.36 44.53 2.51E-03 20 -3.41E-08 1.91E-07 3.05E-07 03/18/97 Yes Yes 330 172 1062 C 5 H 7 30 47.2 93.53 38.46 2.64E-03 20 -1.35E-08 2.24E-07 2.85E-07 03/18/97 Yes Yes 330 172 1062 C 5 H 7 35 47.25 99.93 34.09 3.03E-03 20 -4.59E-08 2.68E-07 2.94E-07 03/18/97 Yes Yes 330 172 1062 C 5 H 7 40 47.3 104.17 33.66 3.48E-03 20 -7.53E-08 3.05E-07 3.35E-07 03/18/97 Yes Yes 330 172 1062 C 5 H 7 45 47.35 107.22 43.37 3.76E-03 20 -8.59E-08 2.83E-07 4.48E-07 03/18/97 Yes Yes 330 172 1062 C 5 H 7 50 47.4 111.09 44.13 3.46E-03 20 -9.47E-08 2.51E-07 4.17E-07 03/18/97 Yes Yes 330 172 1062 C 5 H 7 55 47.45 98.83 39.43 3.05E-03 20 -3.84E-08 2.53E-07 3.36E-07 03/18/97 Yes Yes 330 172 1062 C 5 H 7 60 47.5 101.66 34.99 2.64E-03 20 -4.64E-08 2.30E-07 2.63E-07 03/18/97 Yes Yes 330 172 1062 C 6 H 1 0 47.4 104.82 58.21 2.10E-03 20 -3.00E-08 1.16E-07 3.09E-07 03/18/97 Yes Yes 332 172 1062 C 6 H 1 5 47.45 127.6 56.4 2.34E-03 20 -8.37E-08 1.11E-07 3.37E-07 03/18/97 Yes Yes 332 172 1062 C 6 H 1 10 47.5 81.57 70.13 1.30E-03 20 6.85E-09 4.73E-08 2.11E-07 03/18/97 Yes Yes 332 172 1062 C 6 H 1 15 47.55 137.53 46.95 1.36E-03 20 -7.25E-08 6.79E-08 1.72E-07 03/18/97 Yes Yes 332 172 1062 C 6 H 1 20 47.6 148.27 29.93 1.98E-03 20 -1.55E-07 9.79E-08 1.71E-07 03/18/97 Yes Yes 332 172 1062 C 6 H 1 25 47.65 144.71 40.4 1.74E-03 20 -1.15E-07 8.31E-08 1.96E-07 03/18/97 Yes Yes 332 172 1062 C 6 H 1 30 47.7 143.02 55.13 2.03E-03 20 -9.81E-08 7.55E-08 2.88E-07 03/18/97 Yes Yes 332 172 1062 C 6 H 1 35 47.75 145.48 65.61 2.10E-03 20 -7.57E-08 5.32E-08 3.31E-07 03/18/97 Yes Yes 332 172 1062 C 6 H 1 40 47.8 162.01 69.6 2.04E-03 20 -7.16E-08 2.38E-08 3.31E-07 03/18/97 Yes Yes 332 172 1062 C 6 H 1 45 47.85 179.28 71.41 2.03E-03 20 -6.88E-08 8.78E-10 3.34E-07 03/18/97 Yes Yes 332 172 1062 C 6 H 1 50 47.9 169.46 62.76 2.16E-03 20 -1.03E-07 1.96E-08 3.32E-07 03/18/97 Yes Yes 332 172 1062 C 6 H 1 55 47.95 158.41 56.31 1.63E-03 20 -8.89E-08 3.60E-08 2.35E-07 03/18/97 Yes Yes 332 172 1062 C 6 H 1 60 48 357.45 64.9 7.40E-04 20 3.32E-08 -1.51E-09 1.16E-07 03/18/97 Yes Yes 332 172 1062 C 6 H 1 65 48.05 333.84 4 1.60E-03 20 1.52E-07 -7.65E-08 1.94E-08 03/18/97 Yes Yes 332 172 1062 C 6 H 1 70 48.1 327.09 27.02 7.73E-04 20 6.13E-08 -4.06E-08 6.09E-08 03/18/97 Yes Yes 332 172 1062 C 6 H 1 75 48.15 182.47 61.58 8.37E-04 20 -4.22E-08 -1.86E-09 1.28E-07 03/18/97 Yes Yes 332 172 1062 C 6 H 1 80 48.2 166.59 60.13 8.14E-04 20 -4.18E-08 1.02E-08 1.22E-07 03/18/97 Yes Yes 332 172 1062 C 6 H 1 85 48.25 139.6 70.72 7.00E-04 20 -1.87E-08 1.63E-08 1.15E-07 03/18/97 Yes Yes 332 172 1062 C 6 H 1 90 48.3 137.34 61.28 7.80E-04 20 -2.92E-08 2.75E-08 1.19E-07 03/18/97 Yes Yes 332 172 1062 C 6 H 1 95 48.35 164.28 65.12 6.91E-04 20 -2.97E-08 8.54E-09 1.09E-07 03/18/97 Yes Yes 332 172 1062 C 6 H 1 100 48.4 180.77 61.58 7.63E-04 20 -3.85E-08 -5.31E-10 1.16E-07 03/18/97 Yes Yes 332 172 1062 C 6 H 1 105 48.45 185.6 50 9.96E-04 20 -6.76E-08 -6.77E-09 1.32E-07 03/18/97 Yes Yes 332 172 1062 C 6 H 1 110 48.5 176.99 44.41 8.87E-04 20 -6.71E-08 3.61E-09 1.08E-07 03/18/97 Yes Yes 332 172 1062 C 6 H 1 115 48.55 190.73 37.96 9.22E-04 20 -7.57E-08 -1.47E-08 9.83E-08 03/18/97 Yes Yes 332 172 1062 C 6 H 1 120 48.6 207.97 32.19 8.86E-04 20 -7.03E-08 -3.82E-08 8.19E-08 03/18/97 Yes Yes 332 172 1062 C 6 H 1 125 48.65 194.22 28.02 6.16E-04 20 -5.59E-08 -1.45E-08 5.02E-08 03/18/97 Yes Yes 332 172 1062 C 6 H 1 130 48.7 195.64 29.27 4.18E-04 20 -3.72E-08 -1.07E-08 3.54E-08 03/18/97 Yes Yes 332 172 1062 C 6 H 1 135 48.75 217.51 69.66 3.31E-04 20 -9.67E-09 -7.59E-09 5.37E-08 03/18/97 Yes Yes 332 172 1062 C 6 H 1 140 48.8 158.11 59.3 6.14E-04 20 -3.09E-08 1.27E-08 9.16E-08 03/18/97 Yes Yes 332 172 1062 C 6 H 1 145 48.85 167.52 42.11 1.03E-03 20 -7.90E-08 1.79E-08 1.20E-07 03/18/97 Yes Yes 332 172 1062 C 6 H 1 150 48.9 182.42 37.7 9.57E-04 20 -8.02E-08 -3.46E-09 1.01E-07 03/18/97 Yes Yes 332 172 1062 C 6 H 2 0 48.9 135.43 76.98 6.41E-04 20 -1.09E-08 1.10E-08 1.08E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 2 5 48.95 173.66 51.53 1.44E-03 20 -9.46E-08 1.08E-08 1.96E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 2 10 49 181.19 46.78 1.68E-03 20 -1.22E-07 -2.60E-09 2.12E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 2 15 49.05 180.93 39.58 2.32E-03 20 -1.90E-07 -3.14E-09 2.57E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 2 20 49.1 169.93 45.25 1.90E-03 20 -1.39E-07 2.53E-08 2.33E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 2 25 49.15 167.66 60.89 2.47E-03 20 -1.24E-07 2.78E-08 3.74E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 2 30 49.2 160.99 67.3 4.55E-03 20 -1.76E-07 6.21E-08 7.28E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 2 35 49.25 148.82 77.23 5.39E-03 20 -1.08E-07 6.69E-08 9.11E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 2 40 49.3 119.92 73.81 5.58E-03 20 -8.22E-08 1.46E-07 9.28E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 2 45 49.35 121.83 57.45 6.18E-03 20 -1.86E-07 3.06E-07 9.03E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 2 50 49.4 129.01 41.57 7.17E-03 20 -3.58E-07 4.52E-07 8.25E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 2 55 49.45 147.96 34.88 7.90E-03 20 -5.83E-07 3.73E-07 7.83E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 2 60 49.5 161.09 25.16 8.21E-03 20 -7.46E-07 2.61E-07 6.05E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 2 65 49.55 155.63 24.94 6.00E-03 20 -5.26E-07 2.44E-07 4.39E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 2 70 49.6 138.92 42.37 5.15E-03 20 -3.04E-07 2.71E-07 6.01E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 2 75 49.65 144.72 63.87 5.81E-03 20 -2.22E-07 1.60E-07 9.05E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 2 80 49.7 151.14 69.85 6.37E-03 20 -2.04E-07 1.15E-07 1.04E-06 03/18/97 Yes Yes 334 172 1062 C 6 H 2 85 49.75 139.4 74.17 5.02E-03 20 -1.10E-07 9.66E-08 8.37E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 2 90 49.8 147.86 82.81 3.47E-03 20 -3.90E-08 2.51E-08 5.97E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 2 95 49.85 162.86 79.8 2.33E-03 20 -4.18E-08 1.32E-08 3.97E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 2 100 49.9 130.03 49.72 2.36E-03 20 -1.04E-07 1.27E-07 3.12E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 2 105 49.95 131.83 26.67 3.70E-03 20 -2.34E-07 2.67E-07 2.88E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 2 110 50 143.94 25.72 3.59E-03 20 -2.77E-07 2.06E-07 2.70E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 2 115 50.05 156.78 34.92 3.06E-03 20 -2.45E-07 1.07E-07 3.04E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 2 120 50.1 155.91 48.88 2.46E-03 20 -1.56E-07 7.15E-08 3.21E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 2 125 50.15 137.04 52.22 2.71E-03 20 -1.29E-07 1.23E-07 3.71E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 2 130 50.2 135.89 44.69 4.14E-03 20 -2.24E-07 2.22E-07 5.05E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 2 135 50.25 146.02 42.87 4.78E-03 20 -3.08E-07 2.12E-07 5.63E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 2 140 50.3 156.74 43.81 3.88E-03 20 -2.73E-07 1.20E-07 4.65E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 2 145 50.35 163.47 42.59 3.13E-03 20 -2.34E-07 7.11E-08 3.67E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 2 150 50.4 167.41 42.79 1.70E-03 20 -1.29E-07 2.95E-08 2.00E-07 03/18/97 Yes Yes 334 172 1062 C 6 H 3 0 50.4 135.82 63.03 8.31E-04 20 -2.87E-08 2.85E-08 1.28E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 5 50.45 148.7 44.9 1.76E-03 20 -1.13E-07 7.01E-08 2.15E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 10 50.5 157.43 39.39 1.96E-03 20 -1.49E-07 6.31E-08 2.16E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 15 50.55 147.85 38.11 1.87E-03 20 -1.32E-07 8.48E-08 2.00E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 20 50.6 137.8 35.27 2.33E-03 20 -1.49E-07 1.39E-07 2.33E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 25 50.65 138.16 29.02 2.71E-03 20 -1.87E-07 1.71E-07 2.28E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 30 50.7 138.75 32.97 1.98E-03 20 -1.33E-07 1.19E-07 1.87E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 35 50.75 138.19 43.16 1.60E-03 20 -9.22E-08 8.43E-08 1.90E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 40 50.8 140.11 46.98 1.81E-03 20 -1.00E-07 8.57E-08 2.29E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 45 50.85 135.35 55.83 1.81E-03 20 -7.68E-08 7.76E-08 2.60E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 50 50.9 127.17 56.35 2.17E-03 20 -7.70E-08 1.04E-07 3.13E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 55 50.95 138.93 52.03 2.54E-03 20 -1.25E-07 1.11E-07 3.47E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 60 51 142.37 39.57 3.11E-03 20 -2.01E-07 1.59E-07 3.43E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 65 51.05 145.83 37.45 2.66E-03 20 -1.85E-07 1.28E-07 2.80E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 70 51.1 149.22 44.84 1.90E-03 20 -1.23E-07 7.47E-08 2.32E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 75 51.15 149.7 50.03 1.55E-03 20 -9.10E-08 5.43E-08 2.05E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 80 51.2 147.51 43.72 2.58E-03 20 -1.67E-07 1.09E-07 3.09E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 85 51.25 156.05 41.93 3.83E-03 20 -2.76E-07 1.25E-07 4.43E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 90 51.3 153.24 46.96 3.92E-03 20 -2.53E-07 1.31E-07 4.97E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 95 51.35 147.19 49.49 3.94E-03 20 -2.28E-07 1.50E-07 5.19E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 100 51.4 138.11 49.98 2.98E-03 20 -1.51E-07 1.39E-07 3.95E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 105 51.45 121.57 68.61 2.25E-03 20 -4.56E-08 7.59E-08 3.63E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 110 51.5 171 52.16 2.62E-03 20 -1.68E-07 2.73E-08 3.59E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 115 51.55 169.97 44.19 2.05E-03 20 -1.54E-07 2.78E-08 2.48E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 120 51.6 167.22 48.72 2.04E-03 20 -1.39E-07 3.23E-08 2.66E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 125 51.65 160.83 50.56 2.47E-03 20 -1.57E-07 5.59E-08 3.31E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 130 51.7 143.13 55.93 2.27E-03 20 -1.08E-07 8.29E-08 3.26E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 135 51.75 131.11 64.92 2.05E-03 20 -6.05E-08 7.09E-08 3.21E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 140 51.8 134.55 59.73 2.07E-03 20 -7.76E-08 8.06E-08 3.10E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 145 51.85 143 54.16 1.73E-03 20 -8.57E-08 6.60E-08 2.43E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 3 150 51.9 161.44 56.75 8.69E-04 20 -4.79E-08 1.65E-08 1.26E-07 03/18/97 Yes Yes 336 172 1062 C 6 H 4 0 51.9 124.85 69.97 4.73E-04 20 -9.82E-09 1.44E-08 7.71E-08 03/18/97 Yes Yes 338 172 1062 C 6 H 4 5 51.95 134.32 51.64 1.28E-03 20 -5.91E-08 6.19E-08 1.75E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 4 10 52 133.8 51.59 1.44E-03 20 -6.56E-08 6.99E-08 1.95E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 4 15 52.05 137.56 59.63 1.13E-03 20 -4.48E-08 4.19E-08 1.69E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 4 20 52.1 146.94 63.12 8.92E-04 20 -3.59E-08 2.39E-08 1.38E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 4 25 52.15 134.85 78.65 9.13E-04 20 -1.34E-08 1.38E-08 1.55E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 4 30 52.2 149.09 60.71 1.64E-03 20 -7.29E-08 4.46E-08 2.47E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 4 35 52.25 146.86 38.68 2.63E-03 20 -1.83E-07 1.22E-07 2.85E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 4 40 52.3 145.22 34.4 3.06E-03 20 -2.20E-07 1.56E-07 3.00E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 4 45 52.35 149.61 39.73 2.78E-03 20 -1.95E-07 1.17E-07 3.08E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 4 50 52.4 152.72 39.81 3.07E-03 20 -2.22E-07 1.17E-07 3.41E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 4 55 52.45 149.95 40.55 2.91E-03 20 -2.03E-07 1.20E-07 3.27E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 4 60 52.5 145.62 46.56 2.30E-03 20 -1.38E-07 9.69E-08 2.90E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 4 65 52.55 137.38 41.05 2.55E-03 20 -1.50E-07 1.41E-07 2.90E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 4 70 52.6 135.14 35.98 2.82E-03 20 -1.71E-07 1.75E-07 2.87E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 4 75 52.65 135.44 34.34 2.79E-03 20 -1.74E-07 1.75E-07 2.73E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 4 80 52.7 135.2 33.39 3.03E-03 20 -1.90E-07 1.93E-07 2.89E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 4 85 52.75 151.52 51.68 1.28E-03 20 -7.38E-08 4.09E-08 1.74E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 4 90 52.8 336.48 61.74 7.46E-04 20 3.44E-08 -1.53E-08 1.14E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 4 95 52.85 132.95 43.96 2.27E-03 20 -1.18E-07 1.30E-07 2.73E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 4 100 52.9 146.37 34.96 4.11E-03 20 -2.97E-07 2.02E-07 4.08E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 4 105 52.95 154.52 44.27 3.55E-03 20 -2.43E-07 1.19E-07 4.30E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 4 110 53 155.49 47.81 4.22E-03 20 -2.73E-07 1.27E-07 5.42E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 4 115 53.05 152.45 41.63 5.40E-03 20 -3.79E-07 2.02E-07 6.22E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 4 120 53.1 146.22 40.54 4.62E-03 20 -3.09E-07 2.12E-07 5.20E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 4 125 53.15 146.7 44.05 3.22E-03 20 -2.05E-07 1.38E-07 3.88E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 4 130 53.2 137.35 50.1 2.42E-03 20 -1.21E-07 1.14E-07 3.22E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 4 135 53.25 128.85 43.54 2.62E-03 20 -1.27E-07 1.61E-07 3.13E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 4 140 53.3 126.65 53.43 1.98E-03 20 -7.49E-08 1.03E-07 2.76E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 4 145 53.35 119.23 57.68 1.72E-03 20 -4.77E-08 8.72E-08 2.52E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 4 150 53.4 131.24 61.09 1.22E-03 20 -4.11E-08 4.79E-08 1.84E-07 03/18/97 Yes Yes 338 172 1062 C 6 H 5 0 53.4 78.61 53.94 6.77E-04 20 8.34E-09 4.23E-08 9.48E-08 03/18/97 Yes Yes 340 172 1062 C 6 H 5 5 53.45 79.75 52.07 1.68E-03 20 1.95E-08 1.10E-07 2.30E-07 03/18/97 Yes Yes 340 172 1062 C 6 H 5 10 53.5 75.31 60.14 1.79E-03 20 2.39E-08 9.33E-08 2.69E-07 03/18/97 Yes Yes 340 172 1062 C 6 H 5 15 53.55 55.85 56.02 2.11E-03 20 7.03E-08 1.06E-07 3.04E-07 03/18/97 Yes Yes 340 172 1062 C 6 H 5 20 53.6 29.38 38.95 3.11E-03 20 2.23E-07 1.29E-07 3.39E-07 03/18/97 Yes Yes 340 172 1062 C 6 H 5 25 53.65 3.81 27.12 3.29E-03 20 3.10E-07 2.11E-08 2.60E-07 03/18/97 Yes Yes 340 172 1062 C 6 H 5 30 53.7 340.51 12.14 2.87E-03 20 2.80E-07 -1.01E-07 1.05E-07 03/18/97 Yes Yes 340 172 1062 C 6 H 5 35 53.75 333.57 0.39 2.98E-03 20 2.83E-07 -1.44E-07 3.52E-09 03/18/97 Yes Yes 340 172 1062 C 6 H 5 40 53.8 328.36 -7.47 3.72E-03 20 3.33E-07 -2.10E-07 -8.38E-08 03/18/97 Yes Yes 340 172 1062 C 6 H 5 45 53.85 330.56 -14.08 4.86E-03 20 4.35E-07 -2.51E-07 -2.05E-07 03/18/97 Yes Yes 340 172 1062 C 6 H 5 50 53.9 344.59 -11.13 4.30E-03 20 4.31E-07 -1.22E-07 -1.44E-07 03/18/97 Yes Yes 340 172 1062 C 6 H 5 55 53.95 9.38 14.43 2.14E-03 20 2.16E-07 3.66E-08 9.23E-08 03/18/97 Yes Yes 340 172 1062 C 6 H 5 60 54 94.96 60.39 1.01E-03 20 -4.58E-09 5.39E-08 1.52E-07 03/18/97 Yes Yes 340 172 1062 C 6 H 5 65 54.05 144.47 58.29 7.33E-04 20 -3.33E-08 2.43E-08 1.08E-07 03/18/97 Yes Yes 340 172 1062 C 6 H 5 70 54.1 212.62 83.02 9.61E-04 20 -1.04E-08 -6.83E-09 1.65E-07 03/18/97 Yes Yes 340 172 1062 C 6 H 5 75 54.15 123.34 61.74 2.62E-03 20 -7.24E-08 1.13E-07 4.01E-07 03/18/97 Yes Yes 340 172 1062 C 6 H 5 80 54.2 124.96 55.6 4.06E-03 20 -1.39E-07 2.04E-07 5.81E-07 03/18/97 Yes Yes 340 172 1062 C 6 H 5 85 54.25 133.48 46.68 5.15E-03 20 -2.58E-07 2.78E-07 6.49E-07 03/18/97 Yes Yes 340 172 1062 C 6 H 5 90 54.3 130.43 44.26 6.47E-03 20 -3.19E-07 3.83E-07 7.83E-07 03/18/97 Yes Yes 340 172 1062 C 6 H 5 95 54.35 120.17 55.34 7.58E-03 20 -2.30E-07 4.04E-07 1.08E-06 03/18/97 Yes Yes 340 172 1062 C 6 H 5 100 54.4 117.69 56.53 1.12E-02 20 -3.06E-07 5.96E-07 1.63E-06 03/18/97 Yes Yes 340 172 1062 C 6 H 5 105 54.45 122.07 50.89 1.55E-02 20 -5.50E-07 8.98E-07 2.08E-06 03/18/97 Yes Yes 340 172 1062 C 6 H 5 110 54.5 122.38 45.88 1.47E-02 20 -5.82E-07 9.38E-07 1.83E-06 03/18/97 Yes Yes 340 172 1062 C 6 H 5 115 54.55 127.4 49.06 1.13E-02 20 -4.79E-07 6.40E-07 1.49E-06 03/18/97 Yes Yes 340 172 1062 C 6 H 5 120 54.6 135.21 45.48 1.25E-02 20 -6.62E-07 6.72E-07 1.55E-06 03/18/97 Yes Yes 340 172 1062 C 6 H 5 125 54.65 133.53 34.45 1.83E-02 20 -1.10E-06 1.19E-06 1.79E-06 03/18/97 Yes Yes 340 172 1062 C 6 H 5 130 54.7 128.87 33.95 2.12E-02 20 -1.17E-06 1.49E-06 2.06E-06 03/18/97 Yes Yes 340 172 1062 C 6 H 5 135 54.75 121.2 39.23 1.90E-02 20 -8.07E-07 1.36E-06 2.08E-06 03/18/97 Yes Yes 340 172 1062 C 6 H 5 140 54.8 119.14 42.42 1.55E-02 20 -5.92E-07 1.09E-06 1.81E-06 03/18/97 Yes Yes 340 172 1062 C 6 H 5 145 54.85 132.21 37.99 1.56E-02 20 -8.73E-07 9.84E-07 1.66E-06 03/18/97 Yes Yes 340 172 1062 C 6 H 5 150 54.9 151.63 35.69 1.06E-02 20 -8.06E-07 4.45E-07 1.08E-06 03/18/97 Yes Yes 340 172 1062 C 6 H 6 0 54.9 171.21 58.04 5.38E-03 20 -2.98E-07 4.72E-08 7.91E-07 03/18/97 Yes Yes 342 172 1062 C 6 H 6 5 54.95 159.75 39.56 1.46E-02 20 -1.12E-06 4.22E-07 1.61E-06 03/18/97 Yes Yes 342 172 1062 C 6 H 6 10 55 150.48 40.68 1.74E-02 20 -1.22E-06 7.07E-07 1.97E-06 03/18/97 Yes Yes 342 172 1062 C 6 H 6 15 55.05 129.77 44.91 1.59E-02 20 -7.63E-07 9.37E-07 1.94E-06 03/18/97 Yes Yes 342 172 1062 C 6 H 6 20 55.1 116.98 46.38 1.43E-02 20 -4.76E-07 9.57E-07 1.80E-06 03/18/97 Yes Yes 342 172 1062 C 6 H 6 25 55.15 121 50.57 1.38E-02 20 -4.80E-07 8.17E-07 1.85E-06 03/18/97 Yes Yes 342 172 1062 C 6 H 6 30 55.2 122.33 54.46 1.50E-02 20 -4.95E-07 8.00E-07 2.12E-06 03/18/97 Yes Yes 342 172 1062 C 6 H 6 35 55.25 118.42 52 1.72E-02 20 -5.33E-07 1.01E-06 2.34E-06 03/18/97 Yes Yes 342 172 1062 C 6 H 6 40 55.3 117.14 43.8 1.60E-02 20 -5.57E-07 1.11E-06 1.91E-06 03/18/97 Yes Yes 342 172 1062 C 6 H 6 45 55.35 121.25 36.84 1.61E-02 20 -7.11E-07 1.20E-06 1.68E-06 03/18/97 Yes Yes 342 172 1062 C 6 H 6 50 55.4 124.82 41.92 1.29E-02 20 -5.80E-07 8.53E-07 1.49E-06 03/18/97 Yes Yes 342 172 1062 C 6 H 6 55 55.45 118.9 59.01 1.06E-02 20 -2.80E-07 5.19E-07 1.58E-06 03/18/97 Yes Yes 342 172 1062 C 6 H 6 60 55.5 101.11 65 8.72E-03 20 -7.53E-08 3.92E-07 1.37E-06 03/18/97 Yes Yes 342 172 1062 C 6 H 6 65 55.55 94.86 63.31 1.00E-02 20 -4.04E-08 4.86E-07 1.55E-06 03/18/97 Yes Yes 342 172 1062 C 6 H 6 70 55.6 117.18 48.24 1.61E-02 20 -5.20E-07 1.04E-06 2.08E-06 03/18/97 Yes Yes 342 172 1062 C 6 H 6 75 55.65 128.71 39.88 1.99E-02 20 -1.01E-06 1.29E-06 2.21E-06 03/18/97 Yes Yes 342 172 1062 C 6 H 6 80 55.7 136.71 47.34 1.53E-02 20 -8.03E-07 7.73E-07 1.96E-06 03/18/97 Yes Yes 342 172 1062 C 6 H 6 85 55.75 136.73 55.97 1.45E-02 20 -6.28E-07 6.05E-07 2.09E-06 03/18/97 Yes Yes 342 172 1062 C 6 H 6 90 55.8 126.46 53.4 1.84E-02 20 -6.92E-07 9.58E-07 2.56E-06 03/18/97 Yes Yes 342 172 1062 C 6 H 6 95 55.85 122.87 50.94 1.96E-02 20 -7.11E-07 1.13E-06 2.64E-06 03/18/97 Yes Yes 342 172 1062 C 6 H 6 100 55.9 122.6 48.86 1.74E-02 20 -6.54E-07 1.05E-06 2.27E-06 03/18/97 Yes Yes 342 172 1062 C 6 H 6 105 55.95 130.69 54.36 1.55E-02 20 -6.24E-07 7.42E-07 2.18E-06 03/18/97 Yes Yes 342 172 1062 C 6 H 6 110 56 125.85 49.54 1.72E-02 20 -6.95E-07 9.84E-07 2.27E-06 03/18/97 Yes Yes 342 172 1062 C 6 H 6 115 56.05 126.86 38.3 2.23E-02 20 -1.12E-06 1.52E-06 2.40E-06 03/18/97 Yes Yes 342 172 1062 C 6 H 6 120 56.1 131.25 39.04 2.07E-02 20 -1.12E-06 1.31E-06 2.26E-06 03/18/97 Yes Yes 342 172 1062 C 6 H 6 125 56.15 127.86 46.63 1.72E-02 20 -7.69E-07 1.01E-06 2.17E-06 03/18/97 Yes Yes 342 172 1062 C 6 H 6 130 56.2 132.27 38.02 1.90E-02 20 -1.07E-06 1.20E-06 2.03E-06 03/18/97 Yes Yes 342 172 1062 C 6 H 7 0 56.2 123.59 44.37 1.19E-02 20 -5.01E-07 7.72E-07 1.45E-06 03/18/97 Yes Yes 344 172 1062 C 6 H 7 5 56.25 133.29 33.82 2.54E-02 20 -1.53E-06 1.66E-06 2.45E-06 03/18/97 Yes Yes 344 172 1062 C 6 H 7 10 56.3 137.97 39.73 1.59E-02 20 -9.60E-07 8.85E-07 1.76E-06 03/18/97 Yes Yes 344 172 1062 C 6 H 7 15 56.35 137.88 57.46 8.70E-03 20 -3.68E-07 3.41E-07 1.27E-06 03/18/97 Yes Yes 344 172 1062 C 6 H 7 20 56.4 133.91 69.83 7.78E-03 20 -1.97E-07 2.10E-07 1.27E-06 03/18/97 Yes Yes 344 172 1062 C 6 H 7 25 56.45 129.26 64.81 1.21E-02 20 -3.46E-07 4.33E-07 1.90E-06 03/18/97 Yes Yes 344 172 1062 C 6 H 7 30 56.5 139.11 53.69 2.23E-02 20 -1.06E-06 9.37E-07 3.12E-06 03/18/97 Yes Yes 344 172 1062 C 6 H 7 35 56.55 149.39 48.51 2.62E-02 20 -1.59E-06 9.60E-07 3.41E-06 03/18/97 Yes Yes 344 172 1062 C 6 H 7 40 56.6 145.41 50.63 2.41E-02 20 -1.33E-06 9.40E-07 3.22E-06 03/18/97 Yes Yes 344 172 1062 C 6 H 7 45 56.65 139.94 48.83 2.83E-02 20 -1.51E-06 1.30E-06 3.69E-06 03/18/97 Yes Yes 344 172 1062 C 6 H 7 50 56.7 137.63 51.25 3.04E-02 20 -1.49E-06 1.39E-06 4.10E-06 03/18/97 Yes Yes 344 172 1062 C 6 H 7 55 56.75 131.65 52.52 2.99E-02 20 -1.28E-06 1.47E-06 4.11E-06 03/18/97 Yes Yes 344 172 1062 C 6 H 7 60 56.8 132.72 43.4 3.73E-02 20 -1.95E-06 2.16E-06 4.44E-06 03/18/97 Yes Yes 344 172 1062 C 6 H 7 65 56.85 142.85 37.45 4.45E-02 20 -2.99E-06 2.32E-06 4.70E-06 03/18/97 Yes Yes 344 172 1062 C 6 H 7 70 56.9 148.65 40.14 3.84E-02 20 -2.66E-06 1.66E-06 4.29E-06 03/18/97 Yes Yes 344 172 1062 C 6 H 7 75 56.95 149.87 48.11 3.24E-02 20 -1.99E-06 1.18E-06 4.19E-06 03/18/97 Yes Yes 344 172 1062 C 6 H 7 80 57 165.69 51.15 2.15E-02 20 -1.38E-06 3.61E-07 2.90E-06 03/18/97 Yes Yes 344 172 1062 C 7 H 1 0 56.9 7.9 68.52 3.90E-03 20 1.50E-07 2.13E-08 6.29E-07 03/18/97 Yes Yes 346 172 1062 C 7 H 1 5 56.95 46 86.48 7.78E-03 20 3.52E-08 3.73E-08 1.35E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 1 10 57 241.46 86.45 6.64E-03 20 -2.08E-08 -3.91E-08 1.15E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 1 15 57.05 179.16 50.74 1.47E-02 20 -9.90E-07 1.48E-08 1.98E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 1 20 57.1 181.13 28.22 2.32E-02 20 -2.17E-06 -4.39E-08 1.90E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 1 25 57.15 192.24 25.69 2.72E-02 20 -2.54E-06 -5.63E-07 2.04E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 1 30 57.2 195.08 29.57 2.88E-02 20 -2.57E-06 -7.08E-07 2.47E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 1 35 57.25 189.18 33.91 2.51E-02 20 -2.18E-06 -3.60E-07 2.42E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 1 40 57.3 190.11 32.71 1.97E-02 20 -1.73E-06 -3.16E-07 1.85E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 1 45 57.35 197.97 21.51 2.34E-02 20 -2.20E-06 -7.30E-07 1.49E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 1 50 57.4 197.56 25.23 2.40E-02 20 -2.20E-06 -7.11E-07 1.77E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 1 55 57.45 193.62 34.81 2.34E-02 20 -1.98E-06 -4.90E-07 2.31E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 1 60 57.5 194.46 32.5 2.86E-02 20 -2.48E-06 -6.54E-07 2.67E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 1 65 57.55 194.94 32.95 3.17E-02 20 -2.72E-06 -7.43E-07 2.99E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 1 70 57.6 188.88 30.73 4.04E-02 20 -3.64E-06 -5.81E-07 3.58E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 1 75 57.65 180.9 30.97 4.59E-02 20 -4.17E-06 -6.73E-08 4.09E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 1 80 57.7 181.56 32.27 4.11E-02 20 -3.68E-06 -1.03E-07 3.80E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 1 85 57.75 185.21 37.41 3.93E-02 20 -3.30E-06 -3.08E-07 4.14E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 1 90 57.8 185.19 41.64 4.08E-02 20 -3.22E-06 -2.99E-07 4.70E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 1 95 57.85 177.85 44.18 4.00E-02 20 -3.04E-06 1.17E-07 4.84E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 1 100 57.9 170.45 43.39 3.60E-02 20 -2.73E-06 4.71E-07 4.28E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 1 105 57.95 175.62 43.57 2.91E-02 20 -2.23E-06 1.75E-07 3.48E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 1 110 58 195.83 43.25 2.57E-02 20 -1.91E-06 -5.53E-07 3.05E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 1 115 58.05 207.21 46.19 2.15E-02 20 -1.41E-06 -7.39E-07 2.70E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 1 120 58.1 211.02 53.72 1.88E-02 20 -1.01E-06 -6.22E-07 2.63E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 1 125 58.15 195.06 54.18 2.01E-02 20 -1.21E-06 -3.32E-07 2.83E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 1 130 58.2 195.64 51.98 1.97E-02 20 -1.24E-06 -3.55E-07 2.69E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 1 135 58.25 204.17 48.66 2.03E-02 20 -1.30E-06 -5.97E-07 2.65E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 1 140 58.3 194.55 45.72 2.06E-02 20 -1.47E-06 -3.91E-07 2.55E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 1 145 58.35 183.97 40.07 2.16E-02 20 -1.75E-06 -1.24E-07 2.41E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 1 150 58.4 180.63 39.26 1.14E-02 20 -9.40E-07 -1.06E-08 1.26E-06 03/18/97 Yes Yes 346 172 1062 C 7 H 2 0 58.4 199.82 53.5 6.34E-03 20 -3.76E-07 -1.39E-07 8.83E-07 03/18/97 Yes Yes 348 172 1062 C 7 H 2 5 58.45 204.87 30.58 1.81E-02 20 -1.50E-06 -7.09E-07 1.59E-06 03/18/97 Yes Yes 348 172 1062 C 7 H 2 10 58.5 207.66 29.07 1.81E-02 20 -1.49E-06 -7.99E-07 1.53E-06 03/18/97 Yes Yes 348 172 1062 C 7 H 2 15 58.55 209.04 40.05 1.21E-02 20 -8.58E-07 -4.87E-07 1.35E-06 03/18/97 Yes Yes 348 172 1062 C 7 H 2 20 58.6 228.19 60.58 1.04E-02 20 -3.60E-07 -4.12E-07 1.57E-06 03/18/97 Yes Yes 348 172 1062 C 7 H 2 25 58.65 224.16 40.58 2.18E-02 20 -1.26E-06 -1.25E-06 2.46E-06 03/18/97 Yes Yes 348 172 1062 C 7 H 2 30 58.7 213.86 33.62 2.75E-02 20 -2.02E-06 -1.39E-06 2.64E-06 03/18/97 Yes Yes 348 172 1062 C 7 H 2 35 58.75 217.58 37.68 2.50E-02 20 -1.66E-06 -1.31E-06 2.65E-06 03/18/97 Yes Yes 348 172 1062 C 7 H 2 40 58.8 215.98 39.85 2.01E-02 20 -1.33E-06 -9.86E-07 2.24E-06 03/18/97 Yes Yes 348 172 1062 C 7 H 2 45 58.85 205.94 37.11 1.92E-02 20 -1.46E-06 -7.28E-07 2.01E-06 03/18/97 Yes Yes 348 172 1062 C 7 H 2 50 58.9 196.5 35 1.88E-02 20 -1.57E-06 -4.74E-07 1.87E-06 03/18/97 Yes Yes 348 172 1062 C 7 H 2 55 58.95 192.9 41.9 1.55E-02 20 -1.19E-06 -2.79E-07 1.79E-06 03/18/97 Yes Yes 348 172 1062 C 7 H 2 60 59 193.65 53.29 9.11E-03 20 -5.61E-07 -1.39E-07 1.27E-06 03/18/97 Yes Yes 348 172 1062 C 7 H 2 65 59.05 215.4 56.12 6.57E-03 20 -3.16E-07 -2.30E-07 9.45E-07 03/18/97 Yes Yes 348 172 1062 C 7 H 2 70 59.1 218.12 47.29 7.33E-03 20 -4.15E-07 -3.33E-07 9.34E-07 03/18/97 Yes Yes 348 172 1062 C 7 H 2 75 59.15 203.1 46.74 7.13E-03 20 -4.77E-07 -2.08E-07 9.00E-07 03/18/97 Yes Yes 348 172 1062 C 7 H 2 80 59.2 196.55 46.72 5.31E-03 20 -3.70E-07 -1.12E-07 6.70E-07 03/18/97 Yes Yes 348 172 1062 C 7 H 2 85 59.25 204.08 50.39 4.77E-03 20 -2.95E-07 -1.35E-07 6.37E-07 03/18/97 Yes Yes 348 172 1062 C 7 H 2 90 59.3 197.3 42.7 7.13E-03 20 -5.31E-07 -1.69E-07 8.39E-07 03/18/97 Yes Yes 348 172 1062 C 7 H 2 95 59.35 191.94 47.71 6.06E-03 20 -4.23E-07 -9.16E-08 7.78E-07 03/18/97 Yes Yes 348 172 1062 C 7 H 2 100 59.4 199.78 59.12 4.38E-03 20 -2.24E-07 -8.25E-08 6.51E-07 03/18/97 Yes Yes 348 172 1062 C 7 H 2 105 59.45 204.87 64.5 3.20E-03 20 -1.33E-07 -6.29E-08 5.01E-07 03/18/97 Yes Yes 348 172 1062 C 7 H 2 110 59.5 191.92 72.64 2.01E-03 20 -6.23E-08 -1.35E-08 3.33E-07 03/18/97 Yes Yes 348 172 1062 C 7 H 2 115 59.55 198.08 66.41 1.73E-03 20 -6.99E-08 -2.33E-08 2.75E-07 03/18/97 Yes Yes 348 172 1062 C 7 H 2 120 59.6 213.81 61.08 1.57E-03 20 -6.68E-08 -4.57E-08 2.38E-07 03/18/97 Yes Yes 348 172 1062 C 7 H 2 125 59.65 171 75.82 1.11E-03 20 -2.84E-08 4.60E-09 1.86E-07 03/18/97 Yes Yes 348 172 1062 C 7 H 2 130 59.7 164.14 72.82 1.40E-03 20 -4.23E-08 1.23E-08 2.32E-07 03/18/97 Yes Yes 348 172 1062 C 7 H 2 135 59.75 200.99 63.2 2.54E-03 20 -1.14E-07 -4.46E-08 3.94E-07 03/18/97 Yes Yes 348 172 1062 C 7 H 2 140 59.8 193.29 45.16 4.30E-03 20 -3.13E-07 -7.56E-08 5.28E-07 03/18/97 Yes Yes 348 172 1062 C 7 H 2 145 59.85 190.7 35.19 5.86E-03 20 -4.99E-07 -9.64E-08 5.86E-07 03/18/97 Yes Yes 348 172 1062 C 7 H 2 150 59.9 189.03 33.82 3.29E-03 20 -2.86E-07 -4.65E-08 3.17E-07 03/18/97 Yes Yes 348 172 1062 C 7 H 3 0 59.9 171.19 61.61 1.75E-03 20 -8.73E-08 1.38E-08 2.67E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 5 59.95 168.12 38.51 5.73E-03 20 -4.66E-07 1.00E-07 6.19E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 10 60 164.46 39.63 6.84E-03 20 -5.39E-07 1.53E-07 7.57E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 15 60.05 162.56 39.22 6.36E-03 20 -4.99E-07 1.60E-07 6.97E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 20 60.1 165.33 40.1 4.34E-03 20 -3.40E-07 9.11E-08 4.84E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 25 60.15 177.74 48.84 2.57E-03 20 -1.79E-07 7.22E-09 3.35E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 30 60.2 180.3 64.81 1.60E-03 20 -7.22E-08 -3.92E-10 2.51E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 35 60.25 165.82 62.27 1.34E-03 20 -6.41E-08 1.66E-08 2.06E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 40 60.3 176.59 51.55 1.40E-03 20 -9.19E-08 5.59E-09 1.90E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 45 60.35 179.99 45.62 1.30E-03 20 -9.65E-08 1.61E-11 1.61E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 50 60.4 170.17 52.79 8.81E-04 20 -5.57E-08 9.87E-09 1.22E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 55 60.45 166.95 73.08 6.73E-04 20 -2.02E-08 4.80E-09 1.12E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 60 60.5 184.25 74.14 8.39E-04 20 -2.42E-08 -1.84E-09 1.40E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 65 60.55 167.65 65.95 1.50E-03 20 -6.34E-08 1.42E-08 2.38E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 70 60.6 168.55 54.17 2.52E-03 20 -1.53E-07 3.18E-08 3.54E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 75 60.65 162.83 49.18 2.41E-03 20 -1.59E-07 5.04E-08 3.16E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 80 60.7 147.62 54.63 1.78E-03 20 -9.22E-08 5.98E-08 2.51E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 85 60.75 161.04 50.15 1.86E-03 20 -1.20E-07 4.20E-08 2.48E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 90 60.8 175.03 52.9 1.63E-03 20 -1.04E-07 9.25E-09 2.26E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 95 60.85 179.23 61.82 1.46E-03 20 -7.31E-08 1.01E-09 2.23E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 100 60.9 193.61 62.97 1.63E-03 20 -7.62E-08 -1.89E-08 2.51E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 105 60.95 179.85 61.83 1.77E-03 20 -8.86E-08 2.41E-10 2.70E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 110 61 178.25 59.71 1.84E-03 20 -9.81E-08 3.07E-09 2.75E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 115 61.05 185.13 46.57 2.87E-03 20 -2.08E-07 -1.91E-08 3.61E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 120 61.1 164.38 45.02 3.47E-03 20 -2.51E-07 7.17E-08 4.26E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 125 61.15 143.93 44.16 3.66E-03 20 -2.25E-07 1.68E-07 4.42E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 130 61.2 142.66 43.74 3.37E-03 20 -2.05E-07 1.60E-07 4.04E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 135 61.25 155.1 35.9 3.09E-03 20 -2.41E-07 1.14E-07 3.14E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 140 61.3 175.26 30.77 2.66E-03 20 -2.42E-07 2.05E-08 2.36E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 145 61.35 181.52 25.59 3.94E-03 20 -3.77E-07 -1.02E-08 2.95E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 3 150 61.4 177.05 28.15 2.41E-03 20 -2.25E-07 1.19E-08 1.97E-07 03/18/97 Yes Yes 350 172 1062 C 7 H 4 0 61.4 160.51 45.95 1.82E-03 20 -1.26E-07 4.57E-08 2.26E-07 03/18/97 Yes Yes 352 172 1062 C 7 H 4 5 61.45 167.19 33.7 4.37E-03 20 -3.76E-07 8.74E-08 4.20E-07 03/18/97 Yes Yes 352 172 1062 C 7 H 4 10 61.5 168.24 40.6 3.45E-03 20 -2.72E-07 5.79E-08 3.89E-07 03/18/97 Yes Yes 352 172 1062 C 7 H 4 15 61.55 165.53 54.05 2.17E-03 20 -1.31E-07 3.45E-08 3.05E-07 03/18/97 Yes Yes 352 172 1062 C 7 H 4 20 61.6 169.21 58.96 2.46E-03 20 -1.32E-07 2.58E-08 3.66E-07 03/18/97 Yes Yes 352 172 1062 C 7 H 4 25 61.65 176.76 48.76 3.88E-03 20 -2.71E-07 1.57E-08 5.06E-07 03/18/97 Yes Yes 352 172 1062 C 7 H 4 30 61.7 184.01 55.51 3.52E-03 20 -2.11E-07 -1.52E-08 5.04E-07 03/18/97 Yes Yes 352 172 1062 C 7 H 4 35 61.75 275.72 66.32 3.03E-03 20 1.29E-08 -1.31E-07 4.81E-07 03/18/97 Yes Yes 352 172 1062 C 7 H 4 40 61.8 305.73 53.35 3.86E-03 20 1.43E-07 -2.03E-07 5.37E-07 03/18/97 Yes Yes 352 172 1062 C 7 H 4 45 61.85 279.67 71.48 3.59E-03 20 2.03E-08 -1.22E-07 5.89E-07 03/18/97 Yes Yes 352 172 1062 C 7 H 4 50 61.9 190.04 71.1 3.85E-03 20 -1.30E-07 -2.36E-08 6.32E-07 03/18/97 Yes Yes 352 172 1062 C 7 H 4 55 61.95 222.43 68.31 3.33E-03 20 -9.65E-08 -9.02E-08 5.37E-07 03/18/97 Yes Yes 352 172 1062 C 7 H 4 60 62 235.53 69.21 2.36E-03 20 -5.02E-08 -7.47E-08 3.82E-07 03/18/97 Yes Yes 352 172 1062 C 7 H 4 65 62.05 281.24 37.54 1.62E-03 20 2.66E-08 -1.37E-07 1.71E-07 03/18/97 Yes Yes 352 172 1062 C 7 H 4 70 62.1 331.01 -4.17 3.69E-03 20 3.42E-07 -1.94E-07 -4.65E-08 03/18/97 Yes Yes 352 172 1062 C 7 H 4 75 62.15 332.2 -8.11 4.08E-03 20 3.79E-07 -2.05E-07 -9.98E-08 03/18/97 Yes Yes 352 172 1062 C 7 H 4 80 62.2 340.79 -7.8 4.60E-03 20 4.56E-07 -1.63E-07 -1.08E-07 03/18/97 Yes Yes 352 172 1062 C 7 H 4 85 62.25 329.76 -2.39 3.23E-03 20 2.95E-07 -1.76E-07 -2.34E-08 03/18/97 Yes Yes 352 172 1062 C 7 H 4 90 62.3 321.93 -2.9 2.70E-03 20 2.25E-07 -1.80E-07 -2.37E-08 03/18/97 Yes Yes 352 172 1062 C 7 H 4 95 62.35 353.59 11.71 4.94E-03 20 5.10E-07 -5.86E-08 1.74E-07 03/18/97 Yes Yes 352 172 1062 C 7 H 4 100 62.4 353 59.03 3.54E-03 20 1.92E-07 -2.41E-08 5.27E-07 03/18/97 Yes Yes 352 172 1062 C 7 H 4 105 62.45 174.51 37.46 1.44E-03 20 -1.20E-07 1.18E-08 1.51E-07 03/18/97 Yes Yes 352 172 1062 C 7 H 4 110 62.5 185.24 31.67 3.20E-04 20 -2.88E-08 -2.70E-09 2.91E-08 03/18/97 Yes Yes 352 172 1062 C 7 H 4 115 62.55 183.21 29.86 2.79E-04 20 -2.56E-08 -1.47E-09 2.41E-08 03/18/97 Yes Yes 352 172 1062 C 7 H 4 120 62.6 77.85 52.13 4.73E-04 20 6.48E-09 3.08E-08 6.47E-08 03/18/97 Yes Yes 352 172 1062 C 7 H 4 125 62.65 354.97 42.32 2.15E-03 20 1.68E-07 -1.51E-08 2.51E-07 03/18/97 Yes Yes 352 172 1062 C 7 H 4 130 62.7 299.7 49 3.86E-03 20 1.33E-07 -2.39E-07 5.05E-07 03/18/97 Yes Yes 352 172 1062 C 7 H 4 135 62.75 276.28 58 5.28E-03 20 3.24E-08 -3.02E-07 7.76E-07 03/18/97 Yes Yes 352 172 1062 C 7 H 4 140 62.8 218.47 68.82 6.04E-03 20 -1.81E-07 -1.47E-07 9.76E-07 03/18/97 Yes Yes 352 172 1062 C 7 H 4 145 62.85 186.51 53.72 6.86E-03 20 -4.28E-07 -4.99E-08 9.59E-07 03/18/97 Yes Yes 352 172 1062 C 7 H 4 150 62.9 185.74 47.47 5.70E-03 20 -4.07E-07 -4.18E-08 7.28E-07 03/18/97 Yes Yes 352 172 1062 C 7 H 5 0 62.9 172.62 60.77 3.02E-03 20 -1.55E-07 2.05E-08 4.57E-07 03/18/97 Yes Yes 354 172 1062 C 7 H 5 5 62.95 177.44 56.45 6.09E-03 20 -3.56E-07 1.63E-08 8.79E-07 03/18/97 Yes Yes 354 172 1062 C 7 H 5 10 63 184.76 62.82 7.30E-03 20 -3.52E-07 -3.00E-08 1.13E-06 03/18/97 Yes Yes 354 172 1062 C 7 H 5 15 63.05 195.14 54.78 9.25E-03 20 -5.46E-07 -1.51E-07 1.31E-06 03/18/97 Yes Yes 354 172 1062 C 7 H 5 20 63.1 195.7 49.69 8.23E-03 20 -5.44E-07 -1.56E-07 1.09E-06 03/18/97 Yes Yes 354 172 1062 C 7 H 5 25 63.15 185.62 58.66 5.66E-03 20 -3.11E-07 -3.13E-08 8.39E-07 03/18/97 Yes Yes 354 172 1062 C 7 H 5 30 63.2 170.16 56.77 6.53E-03 20 -3.74E-07 6.63E-08 9.46E-07 03/18/97 Yes Yes 354 172 1062 C 7 H 5 35 63.25 158.85 55.99 9.23E-03 20 -5.11E-07 2.02E-07 1.33E-06 03/18/97 Yes Yes 354 172 1062 C 7 H 5 40 63.3 152.55 58.4 1.39E-02 20 -6.88E-07 3.65E-07 2.06E-06 03/18/97 Yes Yes 354 172 1062 C 7 H 5 45 63.35 160.42 53.81 2.28E-02 20 -1.35E-06 4.89E-07 3.19E-06 03/18/97 Yes Yes 354 172 1062 C 7 H 5 50 63.4 160.32 48 2.87E-02 20 -1.92E-06 7.02E-07 3.70E-06 03/18/97 Yes Yes 354 172 1062 C 7 H 5 55 63.45 167.9 44.12 3.28E-02 20 -2.44E-06 5.35E-07 3.95E-06 03/18/97 Yes Yes 354 172 1062 C 7 H 5 60 63.5 177.9 42.45 3.46E-02 20 -2.71E-06 1.01E-07 4.05E-06 03/18/97 Yes Yes 354 172 1062 C 7 H 5 65 63.55 181.37 45.82 3.29E-02 20 -2.43E-06 -5.96E-08 4.09E-06 03/18/97 Yes Yes 354 172 1062 C 7 H 5 70 63.6 179.67 43.23 3.13E-02 20 -2.42E-06 1.42E-08 3.71E-06 03/18/97 Yes Yes 354 172 1062 C 7 H 5 75 63.65 172.36 44.04 2.65E-02 20 -2.00E-06 2.75E-07 3.19E-06 03/18/97 Yes Yes 354 172 1062 C 7 H 5 80 63.7 167.49 46.01 2.52E-02 20 -1.81E-06 4.11E-07 3.14E-06 03/18/97 Yes Yes 354 172 1062 C 7 H 5 85 63.75 171.08 46 2.59E-02 20 -1.89E-06 3.03E-07 3.24E-06 03/18/97 Yes Yes 354 172 1062 C 7 H 5 90 63.8 166.97 49.56 2.51E-02 20 -1.68E-06 3.98E-07 3.32E-06 03/18/97 Yes Yes 354 172 1062 C 7 H 5 95 63.85 163.87 47.42 2.15E-02 20 -1.48E-06 4.38E-07 2.74E-06 03/18/97 Yes Yes 354 172 1062 C 7 H 5 100 63.9 172.21 46.41 1.72E-02 20 -1.25E-06 1.75E-07 2.17E-06 03/18/97 Yes Yes 354 172 1062 C 7 H 5 105 63.95 182.31 49.32 1.82E-02 20 -1.26E-06 -5.18E-08 2.39E-06 03/18/97 Yes Yes 354 172 1062 C 7 H 5 110 64 177.6 48.27 2.17E-02 20 -1.53E-06 6.56E-08 2.81E-06 03/18/97 Yes Yes 354 172 1062 C 7 H 5 115 64.05 180.86 44.35 2.18E-02 20 -1.65E-06 -2.53E-08 2.64E-06 03/18/97 Yes Yes 354 172 1062 C 7 H 5 120 64.1 178.39 43.86 2.10E-02 20 -1.61E-06 4.63E-08 2.53E-06 03/18/97 Yes Yes 354 172 1062 C 7 H 5 125 64.15 163.98 46.62 1.90E-02 20 -1.33E-06 3.91E-07 2.39E-06 03/18/97 Yes Yes 354 172 1062 C 7 H 5 130 64.2 151.54 46.89 1.53E-02 20 -9.75E-07 5.41E-07 1.94E-06 03/18/97 Yes Yes 354 172 1062 C 7 H 5 135 64.25 147.56 43.15 1.30E-02 20 -8.52E-07 5.54E-07 1.55E-06 03/18/97 Yes Yes 354 172 1062 C 7 H 5 140 64.3 145.73 41.67 1.33E-02 20 -8.73E-07 6.08E-07 1.54E-06 03/18/97 Yes Yes 354 172 1062 C 7 H 5 145 64.35 151.94 35.04 1.39E-02 20 -1.07E-06 5.81E-07 1.38E-06 03/18/97 Yes Yes 354 172 1062 C 7 H 5 150 64.4 163.97 36.98 6.71E-03 20 -5.47E-07 1.61E-07 7.00E-07 03/18/97 Yes Yes 354 172 1062 C 7 H 6 0 64.4 172.83 46.92 7.42E-03 20 -5.33E-07 6.86E-08 9.39E-07 03/18/97 Yes Yes 356 172 1062 C 7 H 6 5 64.45 177.84 41.78 1.41E-02 20 -1.12E-06 4.31E-08 1.63E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 6 10 64.5 180.22 55.67 9.16E-03 20 -5.48E-07 -2.15E-09 1.31E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 6 15 64.55 158.32 80.78 6.10E-03 20 -9.63E-08 3.92E-08 1.04E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 6 20 64.6 171.6 60.24 1.23E-02 20 -6.43E-07 9.70E-08 1.86E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 6 25 64.65 166.93 40.79 2.29E-02 20 -1.79E-06 4.24E-07 2.59E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 6 30 64.7 166.81 36.46 1.91E-02 20 -1.58E-06 3.80E-07 1.96E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 6 35 64.75 163.96 42.5 1.66E-02 20 -1.25E-06 3.67E-07 1.94E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 6 40 64.8 156.18 45.3 1.98E-02 20 -1.35E-06 6.10E-07 2.44E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 6 45 64.85 147.08 52.49 1.78E-02 20 -9.64E-07 6.38E-07 2.45E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 6 50 64.9 135.58 46.37 1.90E-02 20 -9.93E-07 9.95E-07 2.38E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 6 55 64.95 153.72 35.91 2.12E-02 20 -1.63E-06 8.25E-07 2.16E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 6 60 65 175.08 41.55 2.23E-02 20 -1.76E-06 1.55E-07 2.57E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 6 65 65.05 176.3 50.81 2.79E-02 20 -1.87E-06 1.23E-07 3.75E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 6 70 65.1 175.4 57.84 3.08E-02 20 -1.74E-06 1.43E-07 4.53E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 6 75 65.15 159.65 59.13 3.20E-02 20 -1.63E-06 6.19E-07 4.76E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 6 80 65.2 162.22 51.69 3.51E-02 20 -2.20E-06 7.20E-07 4.77E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 6 85 65.25 181.49 51.06 3.27E-02 20 -2.18E-06 -5.80E-08 4.41E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 6 90 65.3 185.53 54.15 2.90E-02 20 -1.79E-06 -1.78E-07 4.07E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 6 95 65.35 162.04 54.87 2.35E-02 20 -1.36E-06 4.51E-07 3.33E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 6 100 65.4 168.26 49.12 2.10E-02 20 -1.43E-06 3.03E-07 2.75E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 6 105 65.45 180.65 40.98 1.98E-02 20 -1.59E-06 -1.85E-08 2.26E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 6 110 65.5 179.97 37.88 1.78E-02 20 -1.49E-06 8.77E-10 1.89E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 6 115 65.55 177.67 54.09 1.04E-02 20 -6.47E-07 2.69E-08 1.46E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 6 120 65.6 166.85 73.27 9.97E-03 20 -2.97E-07 7.08E-08 1.66E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 6 125 65.65 168.59 55.19 1.95E-02 20 -1.16E-06 2.39E-07 2.78E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 6 130 65.7 170.39 42.74 3.89E-02 20 -2.99E-06 5.17E-07 4.57E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 6 135 65.75 170.04 42.51 5.83E-02 20 -4.49E-06 8.05E-07 6.82E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 6 140 65.8 169.56 46.34 5.96E-02 20 -4.29E-06 8.09E-07 7.48E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 6 145 65.85 166.99 44.78 5.11E-02 20 -3.75E-06 8.85E-07 6.24E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 6 150 65.9 156.5 42.91 2.43E-02 20 -1.73E-06 7.71E-07 2.87E-06 03/18/97 Yes Yes 356 172 1062 C 7 H 7 0 65.9 219.11 56.36 1.93E-02 20 -8.78E-07 -7.30E-07 2.78E-06 03/18/97 Yes Yes 358 172 1062 C 7 H 7 5 65.95 214.89 38.87 4.88E-02 20 -3.30E-06 -2.36E-06 5.31E-06 03/18/97 Yes Yes 358 172 1062 C 7 H 7 10 66 215.69 39.25 5.37E-02 20 -3.59E-06 -2.63E-06 5.90E-06 03/18/97 Yes Yes 358 172 1062 C 7 H 7 15 66.05 217.04 40.25 4.84E-02 20 -3.13E-06 -2.41E-06 5.42E-06 03/18/97 Yes Yes 358 172 1062 C 7 H 7 20 66.1 212.56 51.02 3.20E-02 20 -1.80E-06 -1.17E-06 4.31E-06 03/18/97 Yes Yes 358 172 1062 C 7 H 7 25 66.15 199.3 61.19 2.41E-02 20 -1.16E-06 -4.16E-07 3.66E-06 03/18/97 Yes Yes 358 172 1062 C 7 H 7 30 66.2 191.82 60.75 2.16E-02 20 -1.10E-06 -2.35E-07 3.27E-06 03/18/97 Yes Yes 358 172 1062 C 7 H 7 35 66.25 194.57 64.12 1.99E-02 20 -8.94E-07 -2.38E-07 3.11E-06 03/18/97 Yes Yes 358 172 1062 C 7 H 7 40 66.3 220.33 55.44 2.97E-02 20 -1.36E-06 -1.18E-06 4.24E-06 03/18/97 Yes Yes 358 172 1062 C 7 H 7 45 66.35 214.02 59.93 3.21E-02 20 -1.41E-06 -9.75E-07 4.81E-06 03/18/97 Yes Yes 358 172 1062 C 7 H 7 50 66.4 197.57 61.8 3.09E-02 20 -1.48E-06 -4.79E-07 4.73E-06 03/18/97 Yes Yes 358 172 1062 C 7 H 7 55 66.45 179.97 60.45 2.72E-02 20 -1.42E-06 8.11E-10 4.10E-06 03/18/97 Yes Yes 358 172 1062 C 7 H 7 60 66.5 181.66 61.74 2.15E-02 20 -1.08E-06 -3.21E-08 3.29E-06 03/18/97 Yes Yes 358 172 1062 C 8 H 1 0 66.4 330.3 16.04 1.61E-02 20 1.43E-06 -8.32E-07 7.72E-07 03/18/97 Yes Yes 360 172 1062 C 8 H 1 5 66.45 330.58 13.15 4.60E-02 20 4.14E-06 -2.39E-06 1.82E-06 03/18/97 Yes Yes 360 172 1062 C 8 H 1 10 66.5 335.87 14.06 5.08E-02 20 4.77E-06 -2.18E-06 2.14E-06 03/18/97 Yes Yes 360 172 1062 C 8 H 1 15 66.55 345.78 13.04 5.38E-02 20 5.38E-06 -1.40E-06 2.10E-06 03/18/97 Yes Yes 360 172 1062 C 8 H 1 20 66.6 346.82 15.45 5.81E-02 20 5.78E-06 -1.39E-06 2.68E-06 03/18/97 Yes Yes 360 172 1062 C 8 H 1 25 66.65 342.59 22.37 5.10E-02 20 4.77E-06 -1.53E-06 3.36E-06 03/18/97 Yes Yes 360 172 1062 C 8 H 1 30 66.7 337.85 27.01 4.47E-02 20 3.91E-06 -1.63E-06 3.52E-06 03/18/97 Yes Yes 360 172 1062 C 8 H 1 35 66.75 332.55 25.69 5.13E-02 20 4.35E-06 -2.31E-06 3.85E-06 03/18/97 Yes Yes 360 172 1062 C 8 H 1 40 66.8 327.26 30.2 5.18E-02 20 4.00E-06 -2.63E-06 4.52E-06 03/18/97 Yes Yes 360 172 1062 C 8 H 1 45 66.85 324.37 36.63 3.96E-02 20 2.74E-06 -2.01E-06 4.09E-06 03/18/97 Yes Yes 360 172 1062 C 8 H 1 50 66.9 324.31 36.16 3.00E-02 20 2.09E-06 -1.53E-06 3.07E-06 03/18/97 Yes Yes 360 172 1062 C 8 H 1 55 66.95 329.58 32.25 2.25E-02 20 1.74E-06 -1.05E-06 2.08E-06 03/18/97 Yes Yes 360 172 1062 C 8 H 1 60 67 23.77 23.67 1.44E-02 20 1.28E-06 5.75E-07 9.99E-07 03/18/97 Yes Yes 360 172 1062 C 8 H 1 65 67.05 10 10.7 1.43E-02 20 1.46E-06 2.64E-07 4.59E-07 03/18/97 Yes Yes 360 172 1062 C 8 H 1 70 67.1 343.31 17.15 2.35E-02 20 2.28E-06 -6.98E-07 1.20E-06 03/18/97 Yes Yes 360 172 1062 C 8 H 1 75 67.15 340.54 25.9 2.59E-02 20 2.33E-06 -8.41E-07 1.96E-06 03/18/97 Yes Yes 360 172 1062 C 8 H 1 80 67.2 337.38 31.85 2.52E-02 20 2.10E-06 -8.93E-07 2.31E-06 03/18/97 Yes Yes 360 172 1062 C 8 H 1 85 67.25 338.94 37.03 2.50E-02 20 1.98E-06 -7.78E-07 2.61E-06 03/18/97 Yes Yes 360 172 1062 C 8 H 1 90 67.3 349.92 40.31 2.31E-02 20 1.84E-06 -3.34E-07 2.59E-06 03/18/97 Yes Yes 360 172 1062 C 8 H 1 95 67.35 2.68 42.87 1.95E-02 20 1.51E-06 7.26E-08 2.30E-06 03/18/97 Yes Yes 360 172 1062 C 8 H 1 100 67.4 359.33 44.95 1.35E-02 20 1.01E-06 -1.22E-08 1.65E-06 03/18/97 Yes Yes 360 172 1062 C 8 H 1 105 67.45 358.55 41 1.17E-02 20 9.38E-07 -2.42E-08 1.33E-06 03/18/97 Yes Yes 360 172 1062 C 8 H 1 110 67.5 6.71 35.94 1.37E-02 20 1.17E-06 1.40E-07 1.39E-06 03/18/97 Yes Yes 360 172 1062 C 8 H 1 115 67.55 357.67 30.04 1.66E-02 20 1.52E-06 -6.31E-08 1.44E-06 03/18/97 Yes Yes 360 172 1062 C 8 H 1 120 67.6 345.93 24.59 1.74E-02 20 1.63E-06 -4.17E-07 1.25E-06 03/18/97 Yes Yes 360 172 1062 C 8 H 1 125 67.65 338.13 19.33 1.35E-02 20 1.26E-06 -5.16E-07 7.77E-07 03/18/97 Yes Yes 360 172 1062 C 8 H 1 130 67.7 341.22 8.59 1.32E-02 20 1.31E-06 -4.55E-07 3.41E-07 03/18/97 Yes Yes 360 172 1062 C 8 H 1 135 67.75 352.97 8.63 1.55E-02 20 1.62E-06 -2.04E-07 4.04E-07 03/18/97 Yes Yes 360 172 1062 C 8 H 1 140 67.8 354.52 15.9 1.12E-02 20 1.14E-06 -1.12E-07 5.34E-07 03/18/97 Yes Yes 360 172 1062 C 8 H 2 0 67.8 351.55 14.92 5.59E-03 20 5.67E-07 -8.62E-08 2.50E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 5 67.85 353.33 16.24 1.30E-02 20 1.31E-06 -1.57E-07 6.30E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 10 67.9 2.23 19.86 1.02E-02 20 1.02E-06 4.07E-08 6.03E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 15 67.95 12.35 23.66 7.57E-03 20 7.19E-07 1.61E-07 5.27E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 20 68 5.95 25.78 5.72E-03 20 5.43E-07 5.79E-08 4.31E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 25 68.05 6.13 26.41 5.63E-03 20 5.32E-07 5.85E-08 4.35E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 30 68.1 22.45 25.87 8.13E-03 20 7.17E-07 3.03E-07 6.15E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 35 68.15 24.71 31.62 7.12E-03 20 5.84E-07 2.75E-07 6.47E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 40 68.2 9.74 30.96 5.25E-03 20 4.71E-07 8.26E-08 4.68E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 45 68.25 10.79 28.7 5.44E-03 20 4.97E-07 9.69E-08 4.53E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 50 68.3 13.35 31.93 3.92E-03 20 3.43E-07 8.33E-08 3.59E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 55 68.35 27.76 31.1 3.92E-03 20 3.15E-07 1.69E-07 3.51E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 60 68.4 43.97 31.26 5.29E-03 20 3.45E-07 3.40E-07 4.76E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 65 68.45 55.45 41.91 3.86E-03 20 1.73E-07 2.57E-07 4.47E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 70 68.5 33.55 44.38 2.52E-03 20 1.59E-07 1.08E-07 3.06E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 75 68.55 21.3 45.55 1.72E-03 20 1.19E-07 4.75E-08 2.13E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 80 68.6 19.45 55.07 9.70E-04 20 5.55E-08 2.00E-08 1.38E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 85 68.65 13.57 43.68 1.21E-03 20 9.00E-08 2.22E-08 1.45E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 90 68.7 2.76 32.63 2.12E-03 20 1.89E-07 9.33E-09 1.98E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 95 68.75 5.56 26.59 4.44E-03 20 4.19E-07 4.17E-08 3.45E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 100 68.8 17.1 33.33 5.88E-03 20 4.98E-07 1.57E-07 5.60E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 105 68.85 18.57 34.45 7.32E-03 20 6.07E-07 2.08E-07 7.18E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 110 68.9 11.9 32.03 8.68E-03 20 7.64E-07 1.64E-07 7.98E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 115 68.95 12.07 24.48 1.02E-02 20 9.64E-07 2.11E-07 7.34E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 120 69 13.86 25.42 9.98E-03 20 9.28E-07 2.34E-07 7.43E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 125 69.05 8.33 30.93 7.81E-03 20 7.03E-07 1.05E-07 6.96E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 130 69.1 3.31 24.56 8.03E-03 20 7.73E-07 4.57E-08 5.78E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 135 69.15 1.8 28.86 5.20E-03 20 4.83E-07 1.55E-08 4.35E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 140 69.2 0.17 55.42 2.26E-03 20 1.36E-07 4.14E-10 3.23E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 145 69.25 13.7 47.97 2.40E-03 20 1.65E-07 4.12E-08 3.09E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 2 150 69.3 17.54 50.26 1.93E-03 20 1.25E-07 4.03E-08 2.57E-07 03/18/97 Yes Yes 362 172 1062 C 8 H 3 0 69.3 354.84 37.27 1.87E-03 20 1.57E-07 -1.45E-08 1.96E-07 03/18/97 Yes Yes 364 172 1062 C 8 H 3 5 69.35 354.6 32.56 5.02E-03 20 4.47E-07 -4.32E-08 4.68E-07 03/18/97 Yes Yes 364 172 1062 C 8 H 3 10 69.4 355.02 36.85 5.13E-03 20 4.34E-07 -3.86E-08 5.34E-07 03/18/97 Yes Yes 364 172 1062 C 8 H 3 15 69.45 352.43 38.19 4.75E-03 20 3.92E-07 -5.33E-08 5.09E-07 03/18/97 Yes Yes 364 172 1062 C 8 H 3 20 69.5 350.25 34.72 4.83E-03 20 4.15E-07 -7.29E-08 4.77E-07 03/18/97 Yes Yes 364 172 1062 C 8 H 3 25 69.55 347.06 33.36 5.18E-03 20 4.48E-07 -1.05E-07 4.94E-07 03/18/97 Yes Yes 364 172 1062 C 8 H 3 30 69.6 347.9 30.21 6.17E-03 20 5.53E-07 -1.21E-07 5.38E-07 03/18/97 Yes Yes 364 172 1062 C 8 H 3 35 69.65 351.08 35 6.33E-03 20 5.43E-07 -8.72E-08 6.29E-07 03/18/97 Yes Yes 364 172 1062 C 8 H 3 40 69.7 353.09 36.03 6.45E-03 20 5.49E-07 -6.81E-08 6.58E-07 03/18/97 Yes Yes 364 172 1062 C 8 H 3 45 69.75 353.84 30.21 6.76E-03 20 6.16E-07 -6.81E-08 5.90E-07 03/18/97 Yes Yes 364 172 1062 C 8 H 3 50 69.8 355.76 30.99 5.06E-03 20 4.58E-07 -3.47E-08 4.51E-07 03/18/97 Yes Yes 364 172 1062 C 8 H 3 55 69.85 355.21 41.38 2.82E-03 20 2.23E-07 -1.91E-08 3.23E-07 03/18/97 Yes Yes 364 172 1062 C 8 H 3 60 69.9 1.6 39.99 1.50E-03 20 1.22E-07 3.47E-09 1.67E-07 03/18/97 Yes Yes 364 172 1062 C 8 H 3 65 69.95 19.18 6.28 2.80E-03 20 2.79E-07 9.92E-08 5.31E-08 03/18/97 Yes Yes 364 172 1062 C 8 H 3 70 70 2.23 17.76 4.71E-03 20 4.76E-07 1.89E-08 2.49E-07 03/18/97 Yes Yes 364 172 1062 C 8 H 3 75 70.05 359.01 23.7 3.60E-03 20 3.49E-07 -6.16E-09 2.51E-07 03/18/97 Yes Yes 364 172 1062 C 8 H 3 80 70.1 357.35 21.74 2.98E-03 20 2.93E-07 -1.39E-08 1.91E-07 03/18/97 Yes Yes 364 172 1062 C 8 H 3 85 70.15 350.5 26.52 2.76E-03 20 2.58E-07 -4.41E-08 2.13E-07 03/18/97 Yes Yes 364 172 1062 C 8 H 3 90 70.2 343.47 44.04 2.14E-03 20 1.56E-07 -4.74E-08 2.58E-07 03/18/97 Yes Yes 364 172 1062 C 8 H 3 95 70.25 349.54 63.37 1.31E-03 20 6.13E-08 -1.16E-08 2.03E-07 03/18/97 Yes Yes 364 172 1062 C 8 H 3 100 70.3 355.58 43.07 1.98E-03 20 1.53E-07 -1.21E-08 2.35E-07 03/18/97 Yes Yes 364 172 1062 C 8 H 3 105 70.35 0.59 31.68 2.98E-03 20 2.69E-07 2.83E-09 2.71E-07 03/18/97 Yes Yes 364 172 1062 C 8 H 3 110 70.4 4.48 19.86 3.34E-03 20 3.32E-07 2.66E-08 1.96E-07 03/18/97 Yes Yes 364 172 1062 C 8 H 3 115 70.45 5.3 15.27 3.66E-03 20 3.73E-07 3.54E-08 1.67E-07 03/18/97 Yes Yes 364 172 1062 C 8 H 3 120 70.5 3.04 15.03 3.63E-03 20 3.72E-07 2.02E-08 1.63E-07 03/18/97 Yes Yes 364 172 1062 C 8 H 3 125 70.55 10.19 12.4 1.73E-03 20 1.76E-07 3.23E-08 6.42E-08 03/18/97 Yes Yes 364 172 1062 C 8 H 3 130 70.6 63.68 -45.31 9.09E-04 20 3.01E-08 6.22E-08 -1.12E-07 03/18/97 Yes Yes 364 172 1062 C 8 H 3 135 70.65 351.9 -49.13 1.96E-03 20 1.35E-07 -1.96E-08 -2.57E-07 03/18/97 Yes Yes 364 172 1062 C 8 H 3 140 70.7 357.49 -26.38 4.83E-03 20 4.58E-07 -2.06E-08 -3.72E-07 03/18/97 Yes Yes 364 172 1062 C 8 H 3 145 70.75 5.24 -13.09 8.81E-03 20 9.06E-07 8.50E-08 -3.46E-07 03/18/97 Yes Yes 364 172 1062 C 8 H 3 150 70.8 1.56 -6.44 5.93E-03 20 6.24E-07 1.74E-08 -1.15E-07 03/18/97 Yes Yes 364 172 1062 C 8 H 4 0 70.8 15.31 -44.97 2.79E-03 20 2.02E-07 5.66E-08 -3.42E-07 03/18/97 Yes Yes 366 172 1062 C 8 H 4 5 70.85 11.76 -15.22 1.10E-02 20 1.10E-06 2.34E-07 -5.00E-07 03/18/97 Yes Yes 366 172 1062 C 8 H 4 10 70.9 18.99 -4.99 1.35E-02 20 1.35E-06 4.76E-07 -2.04E-07 03/18/97 Yes Yes 366 172 1062 C 8 H 4 15 70.95 21 -0.46 1.26E-02 20 1.25E-06 4.91E-07 -1.77E-08 03/18/97 Yes Yes 366 172 1062 C 8 H 4 20 71 20.52 2.59 9.68E-03 20 9.61E-07 3.68E-07 7.58E-08 03/18/97 Yes Yes 366 172 1062 C 8 H 4 25 71.05 26.24 3.28 8.50E-03 20 8.07E-07 4.07E-07 8.42E-08 03/18/97 Yes Yes 366 172 1062 C 8 H 4 30 71.1 27.62 6.89 1.38E-02 20 1.29E-06 6.88E-07 2.87E-07 03/18/97 Yes Yes 366 172 1062 C 8 H 4 35 71.15 25.57 12.72 1.66E-02 20 1.55E-06 7.59E-07 6.35E-07 03/18/97 Yes Yes 366 172 1062 C 8 H 4 40 71.2 28.83 20.5 1.59E-02 20 1.38E-06 7.77E-07 9.63E-07 03/18/97 Yes Yes 366 172 1062 C 8 H 4 45 71.25 32.86 27.33 1.30E-02 20 1.03E-06 6.82E-07 1.04E-06 03/18/97 Yes Yes 366 172 1062 C 8 H 4 50 71.3 30.7 24.21 1.53E-02 20 1.27E-06 7.71E-07 1.09E-06 03/18/97 Yes Yes 366 172 1062 C 8 H 4 55 71.35 35.91 23.48 1.77E-02 20 1.40E-06 1.03E-06 1.23E-06 03/18/97 Yes Yes 366 172 1062 C 8 H 4 60 71.4 43.52 23.29 1.87E-02 20 1.32E-06 1.28E-06 1.28E-06 03/18/97 Yes Yes 366 172 1062 C 8 H 4 65 71.45 53.29 16.54 3.24E-02 20 1.97E-06 2.70E-06 1.60E-06 03/18/97 Yes Yes 366 172 1062 C 8 H 4 70 71.5 57.58 23.07 2.14E-02 20 1.12E-06 1.80E-06 1.45E-06 03/18/97 Yes Yes 366 172 1062 C 8 H 4 75 71.55 36.46 29.57 1.12E-02 20 8.33E-07 6.29E-07 9.60E-07 03/18/97 Yes Yes 366 172 1062 C 8 H 4 80 71.6 29.02 21.28 1.47E-02 20 1.27E-06 7.21E-07 9.25E-07 03/18/97 Yes Yes 366 172 1062 C 8 H 4 85 71.65 32.95 20.47 1.69E-02 20 1.41E-06 9.33E-07 1.02E-06 03/18/97 Yes Yes 366 172 1062 C 8 H 4 90 71.7 39.24 22.72 1.78E-02 20 1.35E-06 1.13E-06 1.19E-06 03/18/97 Yes Yes 366 172 1062 C 8 H 4 95 71.75 46.26 29.67 1.34E-02 20 8.54E-07 9.12E-07 1.15E-06 03/18/97 Yes Yes 366 172 1062 C 8 H 4 100 71.8 40.2 33.18 1.34E-02 20 9.07E-07 7.84E-07 1.27E-06 03/18/97 Yes Yes 366 172 1062 C 8 H 4 105 71.85 40.98 25.43 1.83E-02 20 1.33E-06 1.18E-06 1.36E-06 03/18/97 Yes Yes 366 172 1062 C 8 H 4 110 71.9 42.59 24.86 1.66E-02 20 1.18E-06 1.11E-06 1.21E-06 03/18/97 Yes Yes 366 172 1062 C 8 H 4 115 71.95 43.88 28.2 1.89E-02 20 1.27E-06 1.25E-06 1.55E-06 03/18/97 Yes Yes 366 172 1062 C 8 H 4 120 72 40.25 26.75 2.43E-02 20 1.76E-06 1.52E-06 1.90E-06 03/18/97 Yes Yes 366 172 1062 C 8 H 4 125 72.05 36.76 27.91 2.50E-02 20 1.88E-06 1.44E-06 2.03E-06 03/18/97 Yes Yes 366 172 1062 C 8 H 4 130 72.1 40.95 27.89 2.22E-02 20 1.57E-06 1.39E-06 1.80E-06 03/18/97 Yes Yes 366 172 1062 C 8 H 4 135 72.15 45.23 25.15 2.30E-02 20 1.56E-06 1.60E-06 1.69E-06 03/18/97 Yes Yes 366 172 1062 C 8 H 4 140 72.2 44.6 24.57 2.69E-02 20 1.84E-06 1.86E-06 1.94E-06 03/18/97 Yes Yes 366 172 1062 C 8 H 4 145 72.25 42.08 28.63 2.88E-02 20 1.99E-06 1.84E-06 2.39E-06 03/18/97 Yes Yes 366 172 1062 C 8 H 4 150 72.3 42.49 41.51 1.59E-02 20 9.32E-07 8.73E-07 1.83E-06 03/18/97 Yes Yes 366 172 1062 C 8 H 5 0 72.3 50.34 62.64 1.03E-02 20 3.20E-07 3.95E-07 1.59E-06 03/18/97 Yes Yes 368 172 1062 C 8 H 5 5 72.35 26.49 48.87 2.39E-02 20 1.49E-06 7.59E-07 3.12E-06 03/18/97 Yes Yes 368 172 1062 C 8 H 5 10 72.4 38.43 30.17 3.33E-02 20 2.39E-06 1.94E-06 2.90E-06 03/18/97 Yes Yes 368 172 1062 C 8 H 5 15 72.45 34.78 24.5 3.46E-02 20 2.74E-06 1.95E-06 2.49E-06 03/18/97 Yes Yes 368 172 1062 C 8 H 5 20 72.5 32.67 20.33 2.98E-02 20 2.49E-06 1.64E-06 1.79E-06 03/18/97 Yes Yes 368 172 1062 C 8 H 5 25 72.55 35.49 18.08 2.36E-02 20 1.94E-06 1.41E-06 1.27E-06 03/18/97 Yes Yes 368 172 1062 C 8 H 5 30 72.6 35.15 16.59 1.91E-02 20 1.58E-06 1.14E-06 9.44E-07 03/18/97 Yes Yes 368 172 1062 C 8 H 5 35 72.65 33.7 16.84 1.75E-02 20 1.48E-06 1.01E-06 8.81E-07 03/18/97 Yes Yes 368 172 1062 C 8 H 5 40 72.7 34.05 18.18 1.78E-02 20 1.49E-06 1.03E-06 9.65E-07 03/18/97 Yes Yes 368 172 1062 C 8 H 5 45 72.75 32.18 11.7 1.66E-02 20 1.46E-06 9.37E-07 5.82E-07 03/18/97 Yes Yes 368 172 1062 C 8 H 5 50 72.8 29.21 3.49 1.39E-02 20 1.28E-06 7.33E-07 1.47E-07 03/18/97 Yes Yes 368 172 1062 C 8 H 5 55 72.85 17.4 -9.54 1.03E-02 20 1.03E-06 3.29E-07 -2.95E-07 03/18/97 Yes Yes 368 172 1062 C 8 H 5 60 72.9 16 -15.76 1.05E-02 20 1.03E-06 3.03E-07 -4.96E-07 03/18/97 Yes Yes 368 172 1062 C 8 H 5 65 72.95 21.97 -7.6 1.19E-02 20 1.16E-06 4.80E-07 -2.74E-07 03/18/97 Yes Yes 368 172 1062 C 8 H 5 70 73 22.04 0.65 1.37E-02 20 1.35E-06 5.57E-07 2.69E-08 03/18/97 Yes Yes 368 172 1062 C 8 H 5 75 73.05 20.09 5.54 1.41E-02 20 1.40E-06 5.22E-07 2.36E-07 03/18/97 Yes Yes 368 172 1062 C 8 H 5 80 73.1 22.45 7.69 1.50E-02 20 1.46E-06 6.15E-07 3.48E-07 03/18/97 Yes Yes 368 172 1062 C 8 H 5 85 73.15 22.1 8.4 1.39E-02 20 1.35E-06 5.62E-07 3.53E-07 03/18/97 Yes Yes 368 172 1062 C 8 H 5 90 73.2 23.8 19.25 4.69E-03 20 4.29E-07 1.94E-07 2.68E-07 03/18/97 Yes Yes 368 172 1062 C 8 H 5 95 73.25 192.12 15.13 2.20E-03 20 -2.20E-07 -4.84E-08 9.97E-08 03/18/97 Yes Yes 368 172 1062 C 8 H 5 100 73.3 3.88 -9.7 1.24E-03 20 1.29E-07 8.93E-09 -3.61E-08 03/18/97 Yes Yes 368 172 1062 C 8 H 5 105 73.35 357.95 -2.91 4.93E-03 20 5.21E-07 -1.91E-08 -4.34E-08 03/18/97 Yes Yes 368 172 1062 C 8 H 5 110 73.4 355.85 2.02 3.96E-03 20 4.19E-07 -3.11E-08 2.42E-08 03/18/97 Yes Yes 368 172 1062 C 8 H 5 115 73.45 17.22 11.16 6.30E-03 20 6.26E-07 1.99E-07 2.11E-07 03/18/97 Yes Yes 368 172 1062 C 8 H 5 120 73.5 32.37 15.13 1.09E-02 20 9.46E-07 6.13E-07 4.95E-07 03/18/97 Yes Yes 368 172 1062 C 8 H 5 125 73.55 30.62 13.79 8.26E-03 20 7.32E-07 4.43E-07 3.41E-07 03/18/97 Yes Yes 368 172 1062 C 8 H 5 130 73.6 21.03 -6.7 7.50E-03 20 7.37E-07 2.90E-07 -1.52E-07 03/18/97 Yes Yes 368 172 1062 C 8 H 5 135 73.65 12.34 -19.44 8.90E-03 20 8.70E-07 1.95E-07 -5.14E-07 03/18/97 Yes Yes 368 172 1062 C 8 H 5 140 73.7 6.12 -23.4 8.27E-03 20 8.01E-07 8.78E-08 -5.70E-07 03/18/97 Yes Yes 368 172 1062 C 8 H 5 145 73.75 2.5 -27.41 6.31E-03 20 5.94E-07 2.65E-08 -5.04E-07 03/18/97 Yes Yes 368 172 1062 C 8 H 5 150 73.8 4.4 -26.08 3.03E-03 20 2.88E-07 2.27E-08 -2.31E-07 03/18/97 Yes Yes 368 172 1062 C 8 H 6 0 73.8 113.12 -74.08 1.34E-03 20 -1.53E-08 3.67E-08 -2.24E-07 03/18/97 Yes Yes 370 172 1062 C 8 H 6 5 73.85 8.01 -54.91 2.01E-03 20 1.22E-07 1.75E-08 -2.86E-07 03/18/97 Yes Yes 370 172 1062 C 8 H 6 10 73.9 10.95 -37.44 2.84E-03 20 2.35E-07 4.65E-08 -2.99E-07 03/18/97 Yes Yes 370 172 1062 C 8 H 6 15 73.95 359.7 -26.33 5.64E-03 20 5.36E-07 -2.89E-09 -4.34E-07 03/18/97 Yes Yes 370 172 1062 C 8 H 6 20 74 357.36 -22.9 6.27E-03 20 6.12E-07 -2.89E-08 -4.23E-07 03/18/97 Yes Yes 370 172 1062 C 8 H 6 25 74.05 13.49 -2.73 3.92E-03 20 4.04E-07 9.91E-08 -3.24E-08 03/18/97 Yes Yes 370 172 1062 C 8 H 6 30 74.1 23.88 11.58 5.71E-03 20 5.43E-07 2.46E-07 1.99E-07 03/18/97 Yes Yes 370 172 1062 C 8 H 6 35 74.15 25.47 6.7 8.68E-03 20 8.25E-07 4.02E-07 1.76E-07 03/18/97 Yes Yes 370 172 1062 C 8 H 6 40 74.2 22.28 4.5 7.36E-03 20 7.20E-07 3.02E-07 1.00E-07 03/18/97 Yes Yes 370 172 1062 C 8 H 6 45 74.25 13.27 19.02 1.26E-02 20 1.23E-06 2.96E-07 7.11E-07 03/18/97 Yes Yes 370 172 1062 C 8 H 6 50 74.3 23.87 50.64 1.38E-02 20 8.46E-07 3.83E-07 1.84E-06 03/18/97 Yes Yes 370 172 1062 C 8 H 6 55 74.35 44.73 43.45 8.16E-03 20 4.46E-07 4.52E-07 9.72E-07 03/18/97 Yes Yes 370 172 1062 C 8 H 6 60 74.4 27.61 12.27 1.01E-02 20 9.27E-07 4.96E-07 3.72E-07 03/18/97 Yes Yes 370 172 1062 C 8 H 6 65 74.45 11.65 -1.79 1.16E-02 20 1.20E-06 2.54E-07 -6.29E-08 03/18/97 Yes Yes 370 172 1062 C 8 H 6 70 74.5 13.88 -9.55 1.38E-02 20 1.40E-06 3.54E-07 -3.96E-07 03/18/97 Yes Yes 370 172 1062 C 8 H 6 75 74.55 25.88 -13.07 1.27E-02 20 1.18E-06 5.84E-07 -4.97E-07 03/18/97 Yes Yes 370 172 1062 C 8 H 6 80 74.6 25.01 -17.31 8.25E-03 20 7.57E-07 3.61E-07 -4.25E-07 03/18/97 Yes Yes 370 172 1062 C 8 H 6 85 74.65 25.71 -3.94 7.63E-03 20 7.28E-07 3.58E-07 -9.10E-08 03/18/97 Yes Yes 370 172 1062 C 8 H 6 90 74.7 36.79 15.81 9.85E-03 20 8.05E-07 6.15E-07 4.65E-07 03/18/97 Yes Yes 370 172 1062 C 8 H 6 95 74.75 22.69 27.41 1.28E-02 20 1.11E-06 4.74E-07 1.02E-06 03/18/97 Yes Yes 370 172 1062 C 8 H 6 100 74.8 6.73 36.34 1.47E-02 20 1.25E-06 1.50E-07 1.51E-06 03/18/97 Yes Yes 370 172 1062 C 8 H 6 105 74.85 4.47 44.14 1.03E-02 20 7.82E-07 6.25E-08 1.24E-06 03/18/97 Yes Yes 370 172 1062 C 8 H 6 110 74.9 5.42 37.02 7.26E-03 20 6.12E-07 5.94E-08 7.58E-07 03/18/97 Yes Yes 370 172 1062 C 8 H 6 115 74.95 28.67 28.61 9.40E-03 20 7.68E-07 4.30E-07 7.80E-07 03/18/97 Yes Yes 370 172 1062 C 8 H 6 120 75 43.85 22.84 1.65E-02 20 1.16E-06 1.14E-06 1.11E-06 03/18/97 Yes Yes 370 172 1062 C 8 H 6 125 75.05 46.19 30.32 1.41E-02 20 8.95E-07 9.54E-07 1.24E-06 03/18/97 Yes Yes 370 172 1062 C 8 H 6 130 75.1 14.97 45.23 1.05E-02 20 7.59E-07 2.08E-07 1.29E-06 03/18/97 Yes Yes 370 172 1062 C 8 H 6 135 75.15 10.1 43.01 9.89E-03 20 7.55E-07 1.38E-07 1.17E-06 03/18/97 Yes Yes 370 172 1062 C 8 H 6 140 75.2 6.7 31.31 9.34E-03 20 8.41E-07 1.01E-07 8.42E-07 03/18/97 Yes Yes 370 172 1062 C 8 H 6 145 75.25 12.01 29.03 6.23E-03 20 5.65E-07 1.23E-07 5.24E-07 03/18/97 Yes Yes 370 172 1062 C 9 H 1 0 75.9 127.39 51.09 1.56E-03 20 -6.32E-08 8.46E-08 2.11E-07 03/18/97 Yes Yes 372 172 1062 C 9 H 1 5 75.95 165.37 50.82 1.17E-03 20 -7.55E-08 2.02E-08 1.57E-07 03/18/97 Yes Yes 372 172 1062 C 9 H 1 10 76 244.67 17.61 1.92E-03 20 -8.29E-08 -1.79E-07 1.01E-07 03/18/97 Yes Yes 372 172 1062 C 9 H 1 15 76.05 264.67 18.29 3.13E-03 20 -2.93E-08 -3.21E-07 1.70E-07 03/18/97 Yes Yes 372 172 1062 C 9 H 1 20 76.1 0.5 53.07 1.04E-03 20 6.61E-08 5.89E-10 1.44E-07 03/18/97 Yes Yes 372 172 1062 C 9 H 1 25 76.15 58.51 23.48 2.15E-03 20 1.09E-07 1.83E-07 1.49E-07 03/18/97 Yes Yes 372 172 1062 C 9 H 1 30 76.2 78.55 51.24 1.92E-03 20 2.53E-08 1.28E-07 2.60E-07 03/18/97 Yes Yes 372 172 1062 C 9 H 1 35 76.25 141.32 56.34 6.71E-04 20 -3.08E-08 2.52E-08 9.69E-08 03/18/97 Yes Yes 372 172 1062 C 9 H 1 40 76.3 317.14 28.56 1.40E-03 20 9.57E-08 -9.08E-08 1.16E-07 03/18/97 Yes Yes 372 172 1062 C 9 H 1 45 76.35 12.92 67.86 1.70E-03 20 6.63E-08 1.55E-08 2.73E-07 03/18/97 Yes Yes 372 172 1062 C 9 H 1 50 76.4 38.32 26.89 2.69E-03 20 2.00E-07 1.62E-07 2.11E-07 03/18/97 Yes Yes 372 172 1062 C 9 H 1 55 76.45 39.95 30.38 3.79E-03 20 2.66E-07 2.28E-07 3.33E-07 03/18/97 Yes Yes 372 172 1062 C 9 H 1 60 76.5 40.64 43.04 3.02E-03 20 1.78E-07 1.56E-07 3.57E-07 03/18/97 Yes Yes 372 172 1062 C 9 H 1 65 76.55 41.37 29.95 3.68E-03 20 2.53E-07 2.28E-07 3.18E-07 03/18/97 Yes Yes 372 172 1062 C 9 H 1 70 76.6 24.3 40.51 2.05E-03 20 1.51E-07 6.96E-08 2.31E-07 03/18/97 Yes Yes 372 172 1062 C 9 H 1 75 76.65 312.81 42.74 1.46E-03 20 7.75E-08 -8.56E-08 1.72E-07 03/18/97 Yes Yes 372 172 1062 C 9 H 1 80 76.7 82.02 33.77 1.59E-03 20 1.95E-08 1.42E-07 1.53E-07 03/18/97 Yes Yes 372 172 1062 C 9 H 1 85 76.75 79.42 18.24 1.62E-02 20 3.00E-07 1.64E-06 8.80E-07 03/18/97 Yes Yes 372 172 1062 C 9 H 1 90 76.8 111.84 45.33 9.46E-03 20 -2.63E-07 6.70E-07 1.17E-06 03/18/97 Yes Yes 372 172 1062 C 9 H 1 95 76.85 2.11 40.85 8.95E-03 20 7.18E-07 2.70E-08 1.02E-06 03/18/97 Yes Yes 372 172 1062 C 9 H 1 100 76.9 5.54 41.14 1.18E-02 20 9.40E-07 9.32E-08 1.35E-06 03/18/97 Yes Yes 372 172 1062 C 9 H 1 105 76.95 6.67 49.94 1.00E-02 20 6.78E-07 8.12E-08 1.33E-06 03/18/97 Yes Yes 372 172 1062 C 9 H 1 110 77 20.64 57.54 6.60E-03 20 3.52E-07 1.35E-07 9.66E-07 03/18/97 Yes Yes 372 172 1062 C 9 H 1 115 77.05 26.13 33.1 7.65E-03 20 6.11E-07 3.06E-07 7.25E-07 03/18/97 Yes Yes 372 172 1062 C 9 H 1 120 77.1 25.08 26.74 1.05E-02 20 9.04E-07 4.32E-07 8.22E-07 03/18/97 Yes Yes 372 172 1062 C 9 H 1 125 77.15 35.73 46.6 4.45E-03 20 2.63E-07 1.94E-07 5.61E-07 03/18/97 Yes Yes 372 172 1062 C 9 H 1 130 77.2 176.44 53.78 1.81E-03 20 -1.13E-07 7.20E-09 2.53E-07 03/18/97 Yes Yes 372 172 1062 C 9 H 1 135 77.25 198.32 41.49 2.34E-03 20 -1.77E-07 -5.98E-08 2.69E-07 03/18/97 Yes Yes 372 172 1062 C 9 H 1 140 77.3 31.96 36.64 9.37E-03 20 6.77E-07 4.32E-07 9.70E-07 03/18/97 Yes Yes 372 172 1062 C 9 H 1 145 77.35 21.77 34.92 2.31E-02 20 1.86E-06 7.61E-07 2.29E-06 03/18/97 Yes Yes 372 172 1062 C 9 H 1 150 77.4 25.48 48.8 1.31E-02 20 8.24E-07 4.02E-07 1.70E-06 03/18/97 Yes Yes 372 172 1062 C 9 H 2 0 77.4 11.31 27.75 5.40E-03 20 4.97E-07 1.02E-07 4.36E-07 03/18/97 Yes Yes 374 172 1062 C 9 H 2 5 77.45 26.58 31.22 1.13E-02 20 9.20E-07 4.71E-07 1.02E-06 03/18/97 Yes Yes 374 172 1062 C 9 H 2 10 77.5 60.84 62.16 5.42E-03 20 1.31E-07 2.40E-07 8.31E-07 03/18/97 Yes Yes 374 172 1062 C 9 H 2 15 77.55 245.67 47.88 4.79E-03 20 -1.40E-07 -3.17E-07 6.15E-07 03/18/97 Yes Yes 374 172 1062 C 9 H 2 20 77.6 4.58 29.88 1.85E-02 20 1.70E-06 1.39E-07 1.60E-06 03/18/97 Yes Yes 374 172 1062 C 9 H 2 25 77.65 15.89 30.38 3.25E-02 20 2.86E-06 8.32E-07 2.85E-06 03/18/97 Yes Yes 374 172 1062 C 9 H 2 30 77.7 12.06 33.71 3.32E-02 20 2.86E-06 6.25E-07 3.19E-06 03/18/97 Yes Yes 374 172 1062 C 9 H 2 35 77.75 12.23 38.92 2.86E-02 20 2.31E-06 5.12E-07 3.12E-06 03/18/97 Yes Yes 374 172 1062 C 9 H 2 40 77.8 8.4 44.02 2.11E-02 20 1.59E-06 2.40E-07 2.54E-06 03/18/97 Yes Yes 374 172 1062 C 9 H 2 45 77.85 3.6 46.84 1.61E-02 20 1.16E-06 7.47E-08 2.03E-06 03/18/97 Yes Yes 374 172 1062 C 9 H 2 50 77.9 7.32 48.65 1.19E-02 20 8.28E-07 1.09E-07 1.55E-06 03/18/97 Yes Yes 374 172 1062 C 9 H 2 55 77.95 33.64 53.79 7.64E-03 20 3.99E-07 2.71E-07 1.07E-06 03/18/97 Yes Yes 374 172 1062 C 9 H 2 60 78 173.79 67.33 2.60E-03 20 -1.05E-07 1.17E-08 4.15E-07 03/18/97 Yes Yes 374 172 1062 C 9 H 2 65 78.05 244.28 82.25 9.20E-04 20 -5.71E-09 -1.21E-08 1.58E-07 03/18/97 Yes Yes 374 172 1062 C 9 H 2 70 78.1 27.91 50.29 1.09E-03 20 6.55E-08 3.55E-08 1.46E-07 03/18/97 Yes Yes 374 172 1062 C 9 H 2 75 78.15 42.31 57.1 9.28E-04 20 3.95E-08 3.68E-08 1.35E-07 03/18/97 Yes Yes 374 172 1062 C 9 H 2 80 78.2 142.38 65.28 8.65E-04 20 -3.04E-08 2.39E-08 1.36E-07 03/18/97 Yes Yes 374 172 1062 C 9 H 2 85 78.25 28.81 31.37 2.57E-03 20 2.04E-07 1.15E-07 2.32E-07 03/18/97 Yes Yes 374 172 1062 C 9 H 2 90 78.3 15.49 17.36 1.27E-02 20 1.24E-06 3.50E-07 6.56E-07 03/18/97 Yes Yes 374 172 1062 C 9 H 2 95 78.35 19.2 28.54 1.20E-02 20 1.06E-06 3.77E-07 9.96E-07 03/18/97 Yes Yes 374 172 1062 C 9 H 2 100 78.4 126.58 82.61 2.81E-03 20 -2.28E-08 3.15E-08 4.82E-07 03/18/97 Yes Yes 374 172 1062 C 9 H 2 105 78.45 325.72 69.42 2.10E-03 20 6.48E-08 -4.51E-08 3.41E-07 03/18/97 Yes Yes 374 172 1062 C 9 H 2 110 78.5 6.64 39.52 4.50E-03 20 3.66E-07 4.36E-08 4.97E-07 03/18/97 Yes Yes 374 172 1062 C 9 H 2 115 78.55 14.25 41.02 5.41E-03 20 4.19E-07 1.09E-07 6.15E-07 03/18/97 Yes Yes 374 172 1062 C 9 H 2 120 78.6 358.8 56.12 4.61E-03 20 2.73E-07 -5.82E-09 6.64E-07 03/18/97 Yes Yes 374 172 1062 C 9 H 2 125 78.65 358.05 44.09 7.04E-03 20 5.36E-07 -1.87E-08 8.49E-07 03/18/97 Yes Yes 374 172 1062 C 9 H 2 130 78.7 358.27 37.82 1.13E-02 20 9.43E-07 -2.92E-08 1.20E-06 03/18/97 Yes Yes 374 172 1062 C 9 H 2 135 78.75 2.04 40.29 1.52E-02 20 1.23E-06 4.48E-08 1.70E-06 03/18/97 Yes Yes 374 172 1062 C 9 H 2 140 78.8 14.39 36.37 1.71E-02 20 1.41E-06 3.71E-07 1.75E-06 03/18/97 Yes Yes 374 172 1062 C 9 H 2 145 78.85 17.84 26.65 2.16E-02 20 1.95E-06 6.41E-07 1.68E-06 03/18/97 Yes Yes 374 172 1062 C 9 H 2 150 78.9 19.68 31.15 1.64E-02 20 1.40E-06 5.13E-07 1.47E-06 03/18/97 Yes Yes 374 172 1062 C 9 H 3 0 78.9 15.67 24.38 5.54E-03 20 5.16E-07 1.48E-07 3.97E-07 03/18/97 Yes Yes 376 172 1062 C 9 H 3 5 78.95 21.22 31.7 7.64E-03 20 6.43E-07 2.55E-07 6.96E-07 03/18/97 Yes Yes 376 172 1062 C 9 H 3 10 79 356.87 42.69 4.49E-03 20 3.49E-07 -1.95E-08 5.27E-07 03/18/97 Yes Yes 376 172 1062 C 9 H 3 15 79.05 341.33 43.58 3.67E-03 20 2.67E-07 -9.24E-08 4.39E-07 03/18/97 Yes Yes 376 172 1062 C 9 H 3 20 79.1 327.74 51.07 2.37E-03 20 1.34E-07 -8.62E-08 3.20E-07 03/18/97 Yes Yes 376 172 1062 C 9 H 3 25 79.15 323.61 40.68 2.51E-03 20 1.62E-07 -1.22E-07 2.84E-07 03/18/97 Yes Yes 376 172 1062 C 9 H 3 30 79.2 350.18 48.14 2.32E-03 20 1.62E-07 -2.86E-08 2.99E-07 03/18/97 Yes Yes 376 172 1062 C 9 H 3 35 79.25 75.3 47.49 1.37E-03 20 2.49E-08 9.71E-08 1.75E-07 03/18/97 Yes Yes 376 172 1062 C 9 H 3 40 79.3 215.83 77.37 5.49E-04 20 -1.03E-08 -7.62E-09 9.28E-08 03/18/97 Yes Yes 376 172 1062 C 9 H 3 45 79.35 248.85 21.72 2.81E-04 20 -9.98E-09 -2.64E-08 1.80E-08 03/18/97 Yes Yes 376 172 1062 C 9 H 3 50 79.4 147.43 24.6 1.44E-04 20 -1.17E-08 7.66E-09 1.04E-08 03/18/97 Yes Yes 376 172 1062 C 9 H 3 55 79.45 185.37 17.43 3.17E-04 20 -3.20E-08 -3.07E-09 1.65E-08 03/18/97 Yes Yes 376 172 1062 C 9 H 3 60 79.5 273.05 74.8 4.28E-04 20 6.34E-10 -1.22E-08 7.17E-08 03/18/97 Yes Yes 376 172 1062 C 9 H 3 65 79.55 13.67 33.34 2.80E-03 20 2.41E-07 6.00E-08 2.67E-07 03/18/97 Yes Yes 376 172 1062 C 9 H 3 70 79.6 19.98 37.04 3.60E-03 20 2.87E-07 1.07E-07 3.76E-07 03/18/97 Yes Yes 376 172 1062 C 9 H 3 75 79.65 325.78 72.59 1.17E-03 20 3.06E-08 -2.13E-08 1.93E-07 03/18/97 Yes Yes 376 172 1062 C 9 H 3 80 79.7 233 36.37 1.34E-03 20 -6.86E-08 -9.31E-08 1.37E-07 03/18/97 Yes Yes 376 172 1062 C 9 H 3 85 79.75 20.95 29.76 3.08E-03 20 2.65E-07 1.04E-07 2.65E-07 03/18/97 Yes Yes 376 172 1062 C 9 H 3 90 79.8 33.5 14.21 1.26E-02 20 1.08E-06 7.32E-07 5.37E-07 03/18/97 Yes Yes 376 172 1062 C 9 H 3 95 79.85 39.33 14.48 1.36E-02 20 1.08E-06 9.05E-07 5.90E-07 03/18/97 Yes Yes 376 172 1062 C 9 H 3 100 79.9 37.45 18.7 9.09E-03 20 7.25E-07 5.68E-07 5.05E-07 03/18/97 Yes Yes 376 172 1062 C 9 H 3 105 79.95 25.85 20.87 5.57E-03 20 4.97E-07 2.46E-07 3.44E-07 03/18/97 Yes Yes 376 172 1062 C 9 H 3 110 80 13.71 29.46 2.44E-03 20 2.19E-07 5.46E-08 2.08E-07 03/18/97 Yes Yes 376 172 1062 C 9 H 3 115 80.05 250.84 59.99 6.91E-04 20 -1.20E-08 -3.54E-08 1.04E-07 03/18/97 Yes Yes 376 172 1062 C 9 H 3 120 80.1 208.16 30.44 5.40E-04 20 -4.35E-08 -2.38E-08 4.74E-08 03/18/97 Yes Yes 376 172 1062 C 9 H 3 125 80.15 274.33 48.41 3.50E-04 20 1.86E-09 -2.51E-08 4.54E-08 03/18/97 Yes Yes 376 172 1062 C 9 H 3 130 80.2 99.02 65.76 3.50E-04 20 -2.39E-09 1.54E-08 5.54E-08 03/18/97 Yes Yes 376 172 1062 C 9 H 3 135 80.25 112.42 27.67 2.67E-04 20 -9.58E-09 2.37E-08 2.15E-08 03/18/97 Yes Yes 376 172 1062 C 9 H 3 140 80.3 104.01 66.65 4.11E-05 20 -4.18E-10 1.71E-09 6.54E-09 03/18/97 Yes Yes 376 172 1062 C 9 H 3 145 80.35 328.45 73.82 3.83E-05 20 9.65E-10 -6.06E-10 6.38E-09 03/18/97 Yes Yes 376 172 1062 C 9 H 3 150 80.4 260.42 75.51 2.14E-05 20 -9.46E-11 -5.73E-10 3.60E-09 03/18/97 Yes Yes 376 172 1062 C 9 H 4 0 80.4 74.1 -18.19 1.02E-04 20 2.81E-09 1.01E-08 -5.51E-09 03/18/97 Yes Yes 378 172 1062 C 9 H 4 5 80.45 126.31 -23.16 4.38E-04 20 -2.53E-08 3.52E-08 -2.98E-08 03/18/97 Yes Yes 378 172 1062 C 9 H 4 10 80.5 224.03 -16.43 3.32E-04 20 -2.42E-08 -2.40E-08 -1.63E-08 03/18/97 Yes Yes 378 172 1062 C 9 H 4 15 80.55 155.6 -1.63 3.22E-04 20 -3.10E-08 1.44E-08 -1.59E-09 03/18/97 Yes Yes 378 172 1062 C 9 H 4 20 80.6 208.51 -9.81 5.79E-04 20 -5.32E-08 -2.96E-08 -1.71E-08 03/18/97 Yes Yes 378 172 1062 C 9 H 4 25 80.65 298.13 42.93 7.45E-04 20 2.73E-08 -5.22E-08 8.80E-08 03/18/97 Yes Yes 378 172 1062 C 9 H 4 30 80.7 37.61 28.18 3.87E-03 20 2.86E-07 2.26E-07 3.17E-07 03/18/97 Yes Yes 378 172 1062 C 9 H 4 35 80.75 44.13 26.14 5.25E-03 20 3.59E-07 3.56E-07 4.01E-07 03/18/97 Yes Yes 378 172 1062 C 9 H 4 40 80.8 30.93 20.45 5.85E-03 20 4.98E-07 3.05E-07 3.54E-07 03/18/97 Yes Yes 378 172 1062 C 9 H 4 45 80.85 26.3 13.74 8.96E-03 20 8.27E-07 4.18E-07 3.69E-07 03/18/97 Yes Yes 378 172 1062 C 9 H 4 50 80.9 29.03 18.53 7.25E-03 20 6.38E-07 3.62E-07 4.00E-07 03/18/97 Yes Yes 378 172 1062 C 9 H 4 55 80.95 31.94 34.07 3.98E-03 20 2.97E-07 1.89E-07 3.86E-07 03/18/97 Yes Yes 378 172 1062 C 9 H 4 60 81 42.8 32.3 4.56E-03 20 3.00E-07 2.84E-07 4.22E-07 03/18/97 Yes Yes 378 172 1062 C 9 H 4 65 81.05 45.91 32.22 6.84E-03 20 4.27E-07 4.51E-07 6.32E-07 03/18/97 Yes Yes 378 172 1062 C 9 H 4 70 81.1 33.01 29.73 1.32E-02 20 1.02E-06 6.75E-07 1.13E-06 03/18/97 Yes Yes 378 172 1062 C 9 H 4 75 81.15 35.62 24.42 2.13E-02 20 1.68E-06 1.23E-06 1.53E-06 03/18/97 Yes Yes 378 172 1062 C 9 H 4 80 81.2 38.18 26.16 2.36E-02 20 1.77E-06 1.42E-06 1.80E-06 03/18/97 Yes Yes 378 172 1062 C 9 H 4 85 81.25 34.88 30.39 2.72E-02 20 2.04E-06 1.46E-06 2.39E-06 03/18/97 Yes Yes 378 172 1062 C 9 H 4 90 81.3 30.09 29.55 3.34E-02 20 2.66E-06 1.58E-06 2.85E-06 03/18/97 Yes Yes 378 172 1062 C 9 H 4 95 81.35 35.94 26 4.09E-02 20 3.16E-06 2.34E-06 3.11E-06 03/18/97 Yes Yes 378 172 1062 C 9 H 4 100 81.4 38.82 25.02 4.36E-02 20 3.26E-06 2.68E-06 3.20E-06 03/18/97 Yes Yes 378 172 1062 C 9 H 4 105 81.45 32.33 23.69 4.67E-02 20 3.84E-06 2.48E-06 3.26E-06 03/18/97 Yes Yes 378 172 1062 C 9 H 4 110 81.5 34.01 19.46 6.41E-02 20 5.31E-06 3.66E-06 3.70E-06 03/18/97 Yes Yes 378 172 1062 C 9 H 4 115 81.55 39.74 19.23 6.98E-02 20 5.38E-06 4.57E-06 3.99E-06 03/18/97 Yes Yes 378 172 1062 C 9 H 4 120 81.6 41.24 17.9 5.58E-02 20 4.24E-06 3.80E-06 2.98E-06 03/18/97 Yes Yes 378 172 1062 C 9 H 4 125 81.65 41.65 18.66 3.04E-02 20 2.28E-06 2.08E-06 1.69E-06 03/18/97 Yes Yes 378 172 1062 C 9 H 4 130 81.7 46.65 23.37 1.60E-02 20 1.07E-06 1.16E-06 1.10E-06 03/18/97 Yes Yes 378 172 1062 C 9 H 4 135 81.75 45.1 22.94 1.86E-02 20 1.29E-06 1.32E-06 1.26E-06 03/18/97 Yes Yes 378 172 1062 C 9 H 4 140 81.8 39.18 18.64 3.49E-02 20 2.72E-06 2.27E-06 1.93E-06 03/18/97 Yes Yes 378 172 1062 C 9 H 4 145 81.85 37.63 17.22 3.92E-02 20 3.15E-06 2.48E-06 2.01E-06 03/18/97 Yes Yes 378 172 1062 C 9 H 4 150 81.9 36.58 21.27 1.92E-02 20 1.52E-06 1.15E-06 1.21E-06 03/18/97 Yes Yes 378 172 1062 C 9 H 5 0 81.9 17.87 20.87 5.23E-03 20 4.93E-07 1.63E-07 3.23E-07 03/18/97 Yes Yes 380 172 1062 C 9 H 5 5 81.95 31.04 16.59 1.26E-02 20 1.10E-06 6.78E-07 6.26E-07 03/18/97 Yes Yes 380 172 1062 C 9 H 5 10 82 34.77 17.73 1.38E-02 20 1.14E-06 8.12E-07 7.28E-07 03/18/97 Yes Yes 380 172 1062 C 9 H 5 15 82.05 33.17 17.68 1.50E-02 20 1.27E-06 8.50E-07 7.92E-07 03/18/97 Yes Yes 380 172 1062 C 9 H 5 20 82.1 31.59 22.03 1.55E-02 20 1.30E-06 8.18E-07 1.01E-06 03/18/97 Yes Yes 380 172 1062 C 9 H 5 25 82.15 29.6 23.06 1.78E-02 20 1.51E-06 8.79E-07 1.21E-06 03/18/97 Yes Yes 380 172 1062 C 9 H 5 30 82.2 29.05 18.13 2.12E-02 20 1.87E-06 1.06E-06 1.14E-06 03/18/97 Yes Yes 380 172 1062 C 9 H 5 35 82.25 29.51 19.78 1.77E-02 20 1.54E-06 8.90E-07 1.04E-06 03/18/97 Yes Yes 380 172 1062 C 9 H 5 40 82.3 25.78 42.29 8.08E-03 20 5.71E-07 2.82E-07 9.42E-07 03/18/97 Yes Yes 380 172 1062 C 9 H 5 45 82.35 33.8 30.96 1.31E-02 20 9.88E-07 6.76E-07 1.17E-06 03/18/97 Yes Yes 380 172 1062 C 9 H 5 50 82.4 35.6 19.63 2.41E-02 20 1.96E-06 1.43E-06 1.40E-06 03/18/97 Yes Yes 380 172 1062 C 9 H 5 55 82.45 35.41 16 3.13E-02 20 2.60E-06 1.89E-06 1.50E-06 03/18/97 Yes Yes 380 172 1062 C 9 H 5 60 82.5 36.02 15.67 2.73E-02 20 2.26E-06 1.68E-06 1.28E-06 03/18/97 Yes Yes 380 172 1062 C 9 H 5 65 82.55 29.77 15.5 1.81E-02 20 1.61E-06 9.41E-07 8.40E-07 03/18/97 Yes Yes 380 172 1062 C 9 H 5 70 82.6 26.36 17.79 1.77E-02 20 1.60E-06 8.11E-07 9.37E-07 03/18/97 Yes Yes 380 172 1062 C 9 H 5 75 82.65 31.97 24.65 1.95E-02 20 1.59E-06 1.02E-06 1.41E-06 03/18/97 Yes Yes 380 172 1062 C 9 H 5 80 82.7 37.47 22.67 2.68E-02 20 2.08E-06 1.63E-06 1.79E-06 03/18/97 Yes Yes 380 172 1062 C 9 H 5 85 82.75 38.85 21.52 3.65E-02 20 2.81E-06 2.31E-06 2.32E-06 03/18/97 Yes Yes 380 172 1062 C 9 H 5 90 82.8 33.88 28.19 3.93E-02 20 3.05E-06 2.09E-06 3.22E-06 03/18/97 Yes Yes 380 172 1062 C 9 H 5 95 82.85 30.95 25.25 5.72E-02 20 4.71E-06 2.89E-06 4.23E-06 03/18/97 Yes Yes 380 172 1062 C 9 H 5 100 82.9 30.98 22.03 6.62E-02 20 5.58E-06 3.43E-06 4.31E-06 03/18/97 Yes Yes 380 172 1062 C 9 H 5 105 82.95 29.73 22.11 5.24E-02 20 4.47E-06 2.61E-06 3.42E-06 03/18/97 Yes Yes 380 172 1062 C 9 H 5 110 83 30.74 25.72 3.50E-02 20 2.88E-06 1.75E-06 2.64E-06 03/18/97 Yes Yes 380 172 1062 C 9 H 5 115 83.05 28.99 35.12 2.33E-02 20 1.77E-06 1.00E-06 2.33E-06 03/18/97 Yes Yes 380 172 1062 C 9 H 5 120 83.1 18.22 28.05 3.42E-02 20 3.04E-06 1.02E-06 2.79E-06 03/18/97 Yes Yes 380 172 1062 C 9 H 5 125 83.15 20.4 21.24 5.67E-02 20 5.25E-06 2.00E-06 3.56E-06 03/18/97 Yes Yes 380 172 1062 C 9 H 5 130 83.2 21.77 19.15 4.44E-02 20 4.13E-06 1.69E-06 2.52E-06 03/18/97 Yes Yes 380 172 1062 C 9 H 5 135 83.25 22.73 14.95 3.42E-02 20 3.23E-06 1.38E-06 1.53E-06 03/18/97 Yes Yes 380 172 1062 C 9 H 5 140 83.3 22.31 21.39 2.15E-02 20 1.96E-06 8.23E-07 1.36E-06 03/18/97 Yes Yes 380 172 1062 C 9 H 5 145 83.35 22.32 18.44 3.13E-02 20 2.91E-06 1.22E-06 1.72E-06 03/18/97 Yes Yes 380 172 1062 C 9 H 5 150 83.4 27.82 14.98 3.63E-02 20 3.29E-06 1.78E-06 1.63E-06 03/18/97 Yes Yes 380 172 1062 C 9 H 6 0 83.4 22.84 22.23 1.24E-02 20 1.12E-06 4.82E-07 8.11E-07 03/18/97 Yes Yes 382 172 1062 C 9 H 6 5 83.45 34.69 20.14 3.11E-02 20 2.54E-06 1.80E-06 1.86E-06 03/18/97 Yes Yes 382 172 1062 C 9 H 6 10 83.5 35.64 31.04 2.35E-02 20 1.73E-06 1.27E-06 2.10E-06 03/18/97 Yes Yes 382 172 1062 C 9 H 6 15 83.55 39.38 28.51 3.66E-02 20 2.63E-06 2.21E-06 3.03E-06 03/18/97 Yes Yes 382 172 1062 C 9 H 6 20 83.6 44.41 21.8 7.10E-02 20 5.00E-06 5.01E-06 4.57E-06 03/18/97 Yes Yes 382 172 1062 C 9 H 6 25 83.65 38.27 25.55 6.93E-02 20 5.21E-06 4.20E-06 5.18E-06 03/18/97 Yes Yes 382 172 1062 C 9 H 6 30 83.7 31.38 33.41 7.10E-02 20 5.36E-06 3.35E-06 6.78E-06 03/18/97 Yes Yes 382 172 1062 C 9 H 6 35 83.75 31.03 28.52 1.04E-01 20 8.33E-06 5.12E-06 8.63E-06 03/18/97 Yes Yes 382 172 1062 C 9 H 6 40 83.8 29.72 28.35 1.05E-01 20 8.52E-06 4.98E-06 8.66E-06 03/18/97 Yes Yes 382 172 1062 C 9 H 6 45 83.85 29.24 26.58 8.60E-02 20 7.12E-06 4.07E-06 6.67E-06 03/18/97 Yes Yes 382 172 1062 C 9 H 6 50 83.9 35.1 25.26 6.87E-02 20 5.39E-06 3.87E-06 5.08E-06 03/18/97 Yes Yes 382 172 1062 C 9 H 6 55 83.95 37.18 23.02 5.48E-02 20 4.26E-06 3.31E-06 3.72E-06 03/18/97 Yes Yes 382 172 1062 C 9 H 6 60 84 43.07 16.75 4.39E-02 20 3.26E-06 3.12E-06 2.19E-06 03/18/97 Yes Yes 382 172 1062 C 9 H 6 65 84.05 45.32 15.03 3.18E-02 20 2.29E-06 2.37E-06 1.43E-06 03/18/97 Yes Yes 382 172 1062 C 9 H 6 70 84.1 38.73 14.45 3.37E-02 20 2.70E-06 2.22E-06 1.46E-06 03/18/97 Yes Yes 382 172 1062 C 9 H 6 75 84.15 32.21 15.91 3.78E-02 20 3.26E-06 2.10E-06 1.80E-06 03/18/97 Yes Yes 382 172 1062 C 9 H 6 80 84.2 33.85 16.91 4.93E-02 20 4.16E-06 2.85E-06 2.49E-06 03/18/97 Yes Yes 382 172 1062 C 9 H 6 85 84.25 31.37 20.43 4.01E-02 20 3.40E-06 2.12E-06 2.43E-06 03/18/97 Yes Yes 382 172 1062 C 9 H 6 90 84.3 32.47 19.99 3.30E-02 20 2.77E-06 1.81E-06 1.96E-06 03/18/97 Yes Yes 382 172 1062 C 9 H 6 95 84.35 30.76 21.43 3.26E-02 20 2.77E-06 1.68E-06 2.07E-06 03/18/97 Yes Yes 382 172 1062 C 9 H 6 100 84.4 26.85 18.74 4.34E-02 20 3.89E-06 2.01E-06 2.42E-06 03/18/97 Yes Yes 382 172 1062 C 9 H 6 105 84.45 34.13 16.09 5.72E-02 20 4.83E-06 3.35E-06 2.75E-06 03/18/97 Yes Yes 382 172 1062 C 9 H 6 110 84.5 40.94 18.25 5.05E-02 20 3.84E-06 3.41E-06 2.74E-06 03/18/97 Yes Yes 382 172 1062 C 9 H 6 115 84.55 42.04 24.86 2.92E-02 20 2.08E-06 1.92E-06 2.13E-06 03/18/97 Yes Yes 382 172 1062 C 9 H 6 120 84.6 44.32 38.08 1.29E-02 20 7.72E-07 7.71E-07 1.38E-06 03/18/97 Yes Yes 382 172 1062 C 9 H 6 125 84.65 36.18 31.36 1.08E-02 20 7.88E-07 5.90E-07 9.73E-07 03/18/97 Yes Yes 382 172 1062 C 9 H 6 130 84.7 37.26 19.43 1.70E-02 20 1.35E-06 1.05E-06 9.82E-07 03/18/97 Yes Yes 382 172 1062 C 9 H 6 135 84.75 42.13 16.9 1.41E-02 20 1.06E-06 9.83E-07 7.12E-07 03/18/97 Yes Yes 382 172 1062 C 9 H 6 140 84.8 41.14 21.51 7.85E-03 20 5.83E-07 5.21E-07 4.99E-07 03/18/97 Yes Yes 382 172 1062 C 9 H 6 145 84.85 35.52 22.38 7.63E-03 20 6.09E-07 4.45E-07 5.04E-07 03/18/97 Yes Yes 382 172 1062 C 9 H 6 150 84.9 39.97 28.5 4.30E-03 20 3.07E-07 2.63E-07 3.56E-07 03/18/97 Yes Yes 382 172 1062 C 9 H 7 0 84.9 23.58 21.66 5.30E-03 20 4.78E-07 2.14E-07 3.39E-07 03/18/97 Yes Yes 384 172 1062 C 9 H 7 5 84.95 29.75 19.02 1.17E-02 20 1.02E-06 5.96E-07 6.62E-07 03/18/97 Yes Yes 384 172 1062 C 9 H 7 10 85 29.7 30.1 6.68E-03 20 5.32E-07 3.10E-07 5.80E-07 03/18/97 Yes Yes 384 172 1062 C 9 H 7 15 85.05 26.88 55.42 2.71E-03 20 1.46E-07 7.54E-08 3.87E-07 03/18/97 Yes Yes 384 172 1062 C 9 H 7 20 85.1 20.53 54.27 3.25E-03 20 1.88E-07 7.21E-08 4.57E-07 03/18/97 Yes Yes 384 172 1062 C 9 H 7 25 85.15 16.19 48.44 6.77E-03 20 4.57E-07 1.36E-07 8.78E-07 03/18/97 Yes Yes 384 172 1062 C 9 H 7 30 85.2 42.91 58.32 8.27E-03 20 3.37E-07 3.21E-07 1.22E-06 03/18/97 Yes Yes 384 172 1062 C 9 H 7 35 85.25 37.2 33.83 7.18E-03 20 5.04E-07 3.91E-07 6.93E-07 03/18/97 Yes Yes 384 172 1062 C 9 H 7 40 85.3 19.22 25.07 8.39E-03 20 7.61E-07 2.71E-07 6.16E-07 03/18/97 Yes Yes 384 172 1062 C 10 H 1 0 85.4 158.29 55.96 2.75E-03 20 -1.52E-07 6.18E-08 3.95E-07 03/18/97 Yes Yes 862 172 1062 C 10 H 1 5 85.45 135.76 53.34 7.72E-03 20 -3.50E-07 3.49E-07 1.07E-06 03/18/97 Yes Yes 862 172 1062 C 10 H 1 10 85.5 169.62 82.2 1.04E-02 20 -1.47E-07 2.75E-08 1.78E-06 03/18/97 Yes Yes 862 172 1062 C 10 H 1 15 85.55 233.02 85.26 1.97E-02 20 -1.04E-07 -1.41E-07 3.41E-06 03/18/97 Yes Yes 862 172 1062 C 10 H 1 20 85.6 344.01 76.84 3.85E-02 20 8.93E-07 -2.62E-07 6.50E-06 03/18/97 Yes Yes 862 172 1062 C 10 H 1 25 85.65 330.1 71.27 5.44E-02 20 1.61E-06 -9.45E-07 8.93E-06 03/18/97 Yes Yes 862 172 1062 C 10 H 1 30 85.7 314.69 72.95 5.46E-02 20 1.19E-06 -1.23E-06 9.04E-06 03/18/97 Yes Yes 862 172 1062 C 10 H 1 35 85.75 302.86 81.62 4.59E-02 20 3.85E-07 -6.09E-07 7.87E-06 03/18/97 Yes Yes 862 172 1062 C 10 H 1 40 85.8 331.84 78.02 4.82E-02 20 9.36E-07 -5.12E-07 8.18E-06 03/18/97 Yes Yes 862 172 1062 C 10 H 1 45 85.85 321.87 74.58 4.98E-02 20 1.10E-06 -8.86E-07 8.31E-06 03/18/97 Yes Yes 862 172 1062 C 10 H 1 50 85.9 306.21 73.19 4.66E-02 20 8.45E-07 -1.18E-06 7.74E-06 03/18/97 Yes Yes 862 172 1062 C 10 H 1 55 85.95 262.33 74.35 3.25E-02 20 -1.24E-07 -9.41E-07 5.42E-06 03/18/97 Yes Yes 862 172 1062 C 10 H 1 60 86 137.19 63.71 1.15E-02 20 -3.98E-07 3.77E-07 1.79E-06 03/18/97 Yes Yes 862 172 1062 C 10 H 1 65 86.05 112.52 37.96 3.35E-03 20 -1.07E-07 2.65E-07 3.58E-07 03/18/97 Yes Yes 862 172 1062 C 10 H 1 70 86.1 16.87 61.02 4.07E-03 20 2.00E-07 6.20E-08 6.17E-07 03/18/97 Yes Yes 862 172 1062 C 10 H 1 75 86.15 314.45 69.09 1.05E-02 20 2.78E-07 -2.90E-07 1.70E-06 03/18/97 Yes Yes 862 172 1062 C 10 H 1 80 86.2 308.25 77.02 1.34E-02 20 1.98E-07 -2.57E-07 2.27E-06 03/18/97 Yes Yes 862 172 1062 C 10 H 1 85 86.25 314.6 46.4 2.75E-02 20 1.41E-06 -1.46E-06 3.45E-06 03/18/97 Yes Yes 862 172 1062 C 10 H 1 90 86.3 295.63 35.78 4.88E-02 20 1.82E-06 -3.87E-06 4.95E-06 03/18/97 Yes Yes 862 172 1062 C 10 H 1 95 86.35 286.53 44.33 3.01E-02 20 6.50E-07 -2.24E-06 3.65E-06 03/18/97 Yes Yes 862 172 1062 C 10 H 1 100 86.4 143.87 67.12 8.34E-03 20 -2.78E-07 2.07E-07 1.33E-06 03/18/97 Yes Yes 862 172 1062 C 10 H 1 105 86.45 120.07 24.69 3.97E-03 20 -1.92E-07 3.39E-07 2.87E-07 03/18/97 Yes Yes 862 172 1062 C 10 H 1 110 86.5 138.02 26.02 2.43E-03 20 -1.72E-07 1.58E-07 1.85E-07 03/18/97 Yes Yes 862 172 1062 C 10 H 1 115 86.55 87.23 59.76 2.89E-03 20 7.46E-09 1.58E-07 4.33E-07 03/18/97 Yes Yes 862 172 1062 C 10 H 1 120 86.6 2.55 43.94 9.96E-03 20 7.60E-07 3.46E-08 1.20E-06 03/18/97 Yes Yes 862 172 1062 C 10 H 1 125 86.65 347.41 43.61 1.48E-02 20 1.11E-06 -2.53E-07 1.77E-06 03/18/97 Yes Yes 862 172 1062 C 10 H 1 130 86.7 339.04 42.22 1.60E-02 20 1.18E-06 -4.61E-07 1.87E-06 03/18/97 Yes Yes 862 172 1062 C 10 H 1 135 86.75 330.18 49.66 1.33E-02 20 7.89E-07 -4.63E-07 1.75E-06 03/18/97 Yes Yes 862 172 1062 C 10 H 1 140 86.8 345.52 45.09 1.22E-02 20 8.83E-07 -2.33E-07 1.50E-06 03/18/97 Yes Yes 862 172 1062 C 10 H 1 145 86.85 354.91 51.18 1.09E-02 20 7.24E-07 -6.59E-08 1.48E-06 03/18/97 Yes Yes 862 172 1062 C 10 H 2 0 86.87 348.24 28.86 5.50E-03 20 5.00E-07 -1.07E-07 4.61E-07 03/18/97 Yes Yes 864 172 1062 C 10 H 2 5 86.92 333.48 56.74 5.53E-03 20 2.88E-07 -1.47E-07 8.01E-07 03/18/97 Yes Yes 864 172 1062 C 10 H 2 10 86.97 108.95 55.9 2.51E-03 20 -4.85E-08 1.44E-07 3.61E-07 03/18/97 Yes Yes 864 172 1062 C 10 H 2 15 87.02 82.29 63.85 2.15E-03 20 1.35E-08 1.02E-07 3.34E-07 03/18/97 Yes Yes 864 172 1062 C 10 H 2 20 87.07 323.57 79.74 2.12E-03 20 3.22E-08 -2.43E-08 3.61E-07 03/18/97 Yes Yes 864 172 1062 C 10 H 2 25 87.12 7.21 82.78 2.40E-03 20 3.17E-08 4.10E-09 4.13E-07 03/18/97 Yes Yes 864 172 1062 C 10 H 2 30 87.17 103.02 69.26 1.98E-03 20 -1.67E-08 7.40E-08 3.21E-07 03/18/97 Yes Yes 864 172 1062 C 10 H 2 35 87.22 102.09 64.95 1.73E-03 20 -1.62E-08 7.75E-08 2.71E-07 03/18/97 Yes Yes 864 172 1062 C 10 H 2 40 87.27 115.11 59.26 1.55E-03 20 -3.56E-08 7.77E-08 2.31E-07 03/18/97 Yes Yes 864 172 1062 C 10 H 2 45 87.32 118.61 61.98 1.02E-03 20 -2.45E-08 4.58E-08 1.57E-07 03/18/97 Yes Yes 864 172 1062 C 10 H 2 50 87.37 88.15 74.7 8.62E-04 20 7.78E-10 2.46E-08 1.44E-07 03/18/97 Yes Yes 864 172 1062 C 10 H 2 55 87.42 89.61 72.4 1.06E-03 20 2.31E-10 3.46E-08 1.74E-07 03/18/97 Yes Yes 864 172 1062 C 10 H 2 60 87.47 133.42 68.88 1.12E-03 20 -2.94E-08 3.17E-08 1.81E-07 03/18/97 Yes Yes 864 172 1062 C 10 H 2 65 87.52 136.16 63.83 7.78E-04 20 -2.63E-08 2.58E-08 1.21E-07 03/18/97 Yes Yes 864 172 1062 C 10 H 2 70 87.57 94.01 65.36 6.23E-04 20 -1.93E-09 2.81E-08 9.82E-08 03/18/97 Yes Yes 864 172 1062 C 10 H 2 75 87.62 91.92 65.95 5.46E-04 20 -7.90E-10 2.41E-08 8.65E-08 03/18/97 Yes Yes 864 172 1062 C 10 H 2 80 87.67 92.68 71.62 4.30E-04 20 -6.73E-10 1.47E-08 7.07E-08 03/18/97 Yes Yes 864 172 1062 C 10 H 2 85 87.72 122.8 69.85 3.51E-04 20 -6.95E-09 1.10E-08 5.71E-08 03/18/97 Yes Yes 864 172 1062 C 10 H 2 90 87.77 168.3 59.51 2.18E-04 20 -1.15E-08 2.43E-09 3.26E-08 03/18/97 Yes Yes 864 172 1062 C 10 H 2 95 87.82 199.3 41.29 2.46E-04 20 -1.85E-08 -6.62E-09 2.81E-08 03/18/97 Yes Yes 864 172 1062 C 10 H 2 100 87.87 157.16 70.82 6.90E-04 20 -2.22E-08 9.54E-09 1.13E-07 03/18/97 Yes Yes 864 172 1062 C 10 H 2 105 87.92 12 62.37 2.61E-03 20 1.26E-07 2.73E-08 4.01E-07 03/18/97 Yes Yes 864 172 1062 C 10 H 2 110 87.97 28.9 59.16 6.32E-03 20 3.01E-07 1.70E-07 9.40E-07 03/18/97 Yes Yes 864 172 1062 C 10 H 2 115 88.02 102.14 63.82 6.11E-03 20 -6.02E-08 2.86E-07 9.51E-07 03/18/97 Yes Yes 864 172 1062 C 10 H 2 120 88.07 127.14 60.34 3.47E-03 20 -1.10E-07 1.48E-07 5.23E-07 03/18/97 Yes Yes 864 172 1062 C 10 H 2 125 88.12 109.64 59.82 3.01E-03 20 -5.40E-08 1.55E-07 4.51E-07 03/18/97 Yes Yes 864 172 1062 C 10 H 2 130 88.17 105.22 49.33 3.17E-03 20 -5.75E-08 2.16E-07 4.17E-07 03/18/97 Yes Yes 864 172 1062 C 10 H 2 135 88.22 108.14 49.22 2.34E-03 20 -5.03E-08 1.57E-07 3.07E-07 03/18/97 Yes Yes 864 172 1062 C 10 H 2 140 88.27 97.51 61.22 1.65E-03 20 -1.10E-08 8.53E-08 2.50E-07 03/18/97 Yes Yes 864 172 1062 C 10 H 2 145 88.32 107.8 39.33 3.19E-03 20 -8.00E-08 2.55E-07 3.50E-07 03/18/97 Yes Yes 864 172 1062 C 10 H 2 150 88.37 120.53 31.55 3.44E-03 20 -1.58E-07 2.74E-07 3.12E-07 03/18/97 Yes Yes 864 172 1062 C 10 H 3 0 88.37 86.53 67.99 1.55E-03 20 3.73E-09 6.29E-08 2.49E-07 03/18/97 Yes Yes 866 172 1062 C 10 H 3 5 88.42 104.95 33.54 6.38E-03 20 -1.46E-07 5.57E-07 6.11E-07 03/18/97 Yes Yes 866 172 1062 C 10 H 3 10 88.47 112.77 32.19 7.59E-03 20 -2.64E-07 6.43E-07 7.01E-07 03/18/97 Yes Yes 866 172 1062 C 10 H 3 15 88.52 124.62 36.21 6.57E-03 20 -3.19E-07 4.73E-07 6.73E-07 03/18/97 Yes Yes 866 172 1062 C 10 H 3 20 88.57 121.41 35.44 8.81E-03 20 -3.97E-07 6.64E-07 8.85E-07 03/18/97 Yes Yes 866 172 1062 C 10 H 3 25 88.62 116.79 38.34 8.86E-03 20 -3.32E-07 6.73E-07 9.52E-07 03/18/97 Yes Yes 866 172 1062 C 10 H 3 30 88.67 108.9 48.37 7.77E-03 20 -1.77E-07 5.29E-07 1.01E-06 03/18/97 Yes Yes 866 172 1062 C 10 H 3 35 88.72 100.6 53.96 8.77E-03 20 -1.01E-07 5.50E-07 1.23E-06 03/18/97 Yes Yes 866 172 1062 C 10 H 3 40 88.77 88.67 56.91 9.52E-03 20 1.28E-08 5.64E-07 1.38E-06 03/18/97 Yes Yes 866 172 1062 C 10 H 3 45 88.82 101.84 40.72 1.60E-02 20 -2.64E-07 1.29E-06 1.81E-06 03/18/97 Yes Yes 866 172 1062 C 10 H 3 50 88.87 115.15 35.2 2.06E-02 20 -7.58E-07 1.65E-06 2.06E-06 03/18/97 Yes Yes 866 172 1062 C 10 H 3 55 88.92 124.15 34.59 1.74E-02 20 -8.53E-07 1.29E-06 1.71E-06 03/18/97 Yes Yes 866 172 1062 C 10 H 3 60 88.97 114.22 42.14 1.38E-02 20 -4.47E-07 1.02E-06 1.61E-06 03/18/97 Yes Yes 866 172 1062 C 10 H 3 65 89.02 96.81 47.85 1.41E-02 20 -1.19E-07 1.02E-06 1.81E-06 03/18/97 Yes Yes 866 172 1062 C 10 H 3 70 89.07 91.47 50.96 1.55E-02 20 -2.65E-08 1.06E-06 2.08E-06 03/18/97 Yes Yes 866 172 1062 C 10 H 3 75 89.12 95.39 45.25 2.07E-02 20 -1.45E-07 1.58E-06 2.55E-06 03/18/97 Yes Yes 866 172 1062 C 10 H 3 80 89.17 99.5 41.82 2.16E-02 20 -2.82E-07 1.72E-06 2.50E-06 03/18/97 Yes Yes 866 172 1062 C 10 H 3 85 89.22 103.22 43.14 1.80E-02 20 -3.19E-07 1.39E-06 2.13E-06 03/18/97 Yes Yes 866 172 1062 C 10 H 3 90 89.27 103.22 45.78 1.35E-02 20 -2.27E-07 9.91E-07 1.67E-06 03/18/97 Yes Yes 866 172 1062 C 10 H 3 95 89.32 100.89 51.82 1.24E-02 20 -1.54E-07 8.18E-07 1.69E-06 03/18/97 Yes Yes 866 172 1062 C 10 H 3 100 89.37 109.2 54.75 1.58E-02 20 -3.19E-07 9.36E-07 2.24E-06 03/18/97 Yes Yes 866 172 1062 C 10 H 3 105 89.42 111.89 48.89 1.91E-02 20 -4.97E-07 1.26E-06 2.50E-06 03/18/97 Yes Yes 866 172 1062 C 10 H 3 110 89.47 109.45 64.2 1.50E-02 20 -2.30E-07 6.66E-07 2.34E-06 03/18/97 Yes Yes 866 172 1062 C 10 H 3 115 89.52 125.99 48.11 3.19E-02 20 -1.33E-06 1.87E-06 4.11E-06 03/18/97 Yes Yes 866 172 1062 C 10 H 3 120 89.57 129.63 35.16 5.54E-02 20 -3.06E-06 3.78E-06 5.53E-06 03/18/97 Yes Yes 866 172 1062 C 10 H 3 125 89.62 118.78 39.66 3.95E-02 20 -1.55E-06 2.89E-06 4.37E-06 03/18/97 Yes Yes 866 172 1062 C 10 H 3 130 89.67 102.09 46.27 3.44E-02 20 -5.29E-07 2.53E-06 4.32E-06 03/18/97 Yes Yes 866 172 1062 C 10 H 3 135 89.72 99.45 47.11 3.86E-02 20 -4.58E-07 2.81E-06 4.91E-06 03/18/97 Yes Yes 866 172 1062 C 10 H 3 140 89.77 108.51 43.26 4.77E-02 20 -1.17E-06 3.58E-06 5.67E-06 03/18/97 Yes Yes 866 172 1062 C 10 H 3 145 89.82 112.1 35.26 5.59E-02 20 -1.82E-06 4.58E-06 5.59E-06 03/18/97 Yes Yes 866 172 1062 C 10 H 3 150 89.87 113.51 32.87 4.56E-02 20 -1.62E-06 3.81E-06 4.29E-06 03/18/97 Yes Yes 866 172 1062 C 10 H 4 0 89.87 106.45 36.07 1.81E-02 20 -4.39E-07 1.52E-06 1.84E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 5 89.92 98.76 31.91 3.06E-02 20 -4.20E-07 2.78E-06 2.80E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 10 89.97 79.65 47.72 1.86E-02 20 2.38E-07 1.33E-06 2.38E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 15 90.02 76.63 52.14 1.63E-02 20 2.45E-07 1.05E-06 2.23E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 20 90.07 88.39 51.09 1.53E-02 20 2.86E-08 1.04E-06 2.07E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 25 90.12 90.14 48.92 1.60E-02 20 -2.79E-09 1.14E-06 2.09E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 30 90.17 85.71 54.52 1.50E-02 20 6.92E-08 9.43E-07 2.12E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 35 90.22 88.13 50.99 1.45E-02 20 3.18E-08 9.93E-07 1.96E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 40 90.27 92.76 50.6 1.23E-02 20 -3.99E-08 8.45E-07 1.65E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 45 90.32 103.81 47.4 1.03E-02 20 -1.77E-07 7.38E-07 1.32E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 50 90.37 108.34 49.28 9.24E-03 20 -2.01E-07 6.20E-07 1.21E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 55 90.42 100.06 40.45 1.40E-02 20 -1.97E-07 1.14E-06 1.57E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 60 90.47 97.65 36.47 1.58E-02 20 -1.79E-07 1.36E-06 1.63E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 65 90.52 93.87 35.19 1.61E-02 20 -9.43E-08 1.43E-06 1.61E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 70 90.57 96.16 27.98 2.22E-02 20 -2.23E-07 2.11E-06 1.80E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 75 90.62 101.38 28.4 2.13E-02 20 -3.92E-07 1.99E-06 1.76E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 80 90.67 101.93 35.16 1.43E-02 20 -2.56E-07 1.24E-06 1.43E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 85 90.72 96.98 45.85 9.49E-03 20 -8.52E-08 7.12E-07 1.18E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 90 90.77 88.7 47.75 9.26E-03 20 1.49E-08 6.75E-07 1.19E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 95 90.82 93.09 45.65 1.17E-02 20 -4.67E-08 8.83E-07 1.45E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 100 90.87 107.53 44.53 1.34E-02 20 -3.04E-07 9.85E-07 1.62E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 105 90.92 104.83 37.24 1.51E-02 20 -3.25E-07 1.26E-06 1.58E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 110 90.97 94.93 37.23 1.50E-02 20 -1.09E-07 1.29E-06 1.57E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 115 91.02 96.09 45.83 1.05E-02 20 -8.21E-08 7.87E-07 1.30E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 120 91.07 101.61 52.79 8.93E-03 20 -1.15E-07 5.74E-07 1.23E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 125 91.12 105.83 46.91 1.21E-02 20 -2.40E-07 8.65E-07 1.54E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 130 91.17 107.15 63.23 1.29E-02 20 -1.81E-07 6.00E-07 1.99E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 135 91.22 85.21 55.88 2.37E-02 20 1.18E-07 1.43E-06 3.40E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 140 91.27 86.29 40.63 4.36E-02 20 2.27E-07 3.58E-06 4.93E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 145 91.32 93.25 36.81 4.99E-02 20 -2.41E-07 4.33E-06 5.19E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 4 150 91.37 111.43 37.1 3.82E-02 20 -1.18E-06 3.07E-06 3.99E-06 03/18/97 Yes Yes 868 172 1062 C 10 H 5 0 91.37 102.43 55.66 2.18E-02 20 -2.81E-07 1.30E-06 3.12E-06 03/18/97 Yes Yes 870 172 1062 C 10 H 5 5 91.42 113.6 38.44 5.76E-02 20 -1.92E-06 4.49E-06 6.21E-06 03/18/97 Yes Yes 870 172 1062 C 10 H 5 10 91.47 105.66 43.68 6.30E-02 20 -1.30E-06 4.75E-06 7.54E-06 03/18/97 Yes Yes 870 172 1062 C 10 H 5 15 91.52 101.53 42.08 7.41E-02 20 -1.17E-06 5.85E-06 8.61E-06 03/18/97 Yes Yes 870 172 1062 C 10 H 5 20 91.57 104.16 39.64 6.40E-02 20 -1.28E-06 5.18E-06 7.07E-06 03/18/97 Yes Yes 870 172 1062 C 10 H 5 25 91.62 109.69 47.71 3.96E-02 20 -9.53E-07 2.72E-06 5.08E-06 03/18/97 Yes Yes 870 172 1062 C 10 H 5 30 91.67 123 42.64 4.33E-02 20 -1.84E-06 2.90E-06 5.09E-06 03/18/97 Yes Yes 870 172 1062 C 10 H 5 35 91.72 140 47.84 4.33E-02 20 -2.36E-06 2.03E-06 5.57E-06 03/18/97 Yes Yes 870 172 1062 C 10 H 5 40 91.77 142.04 50.78 3.99E-02 20 -2.11E-06 1.68E-06 5.36E-06 03/18/97 Yes Yes 870 172 1062 C 10 H 5 45 91.82 110.17 45.4 3.94E-02 20 -1.01E-06 2.82E-06 4.86E-06 03/18/97 Yes Yes 870 172 1062 C 10 H 5 50 91.87 100.6 40.88 5.00E-02 20 -7.37E-07 4.03E-06 5.67E-06 03/18/97 Yes Yes 870 172 1062 C 10 H 5 55 91.92 101.09 42.99 6.83E-02 20 -1.02E-06 5.32E-06 8.07E-06 03/18/97 Yes Yes 870 172 1062 C 10 H 5 60 91.97 104.72 51.3 7.89E-02 20 -1.33E-06 5.17E-06 1.07E-05 03/18/97 Yes Yes 870 172 1062 C 10 H 5 65 92.02 110.47 46.42 9.03E-02 20 -2.31E-06 6.33E-06 1.13E-05 03/18/97 Yes Yes 870 172 1062 C 10 H 5 70 92.07 121.01 38.92 9.25E-02 20 -3.93E-06 6.69E-06 1.01E-05 03/18/97 Yes Yes 870 172 1062 C 10 H 5 75 92.12 127.41 38.49 7.63E-02 20 -3.85E-06 5.14E-06 8.23E-06 03/18/97 Yes Yes 870 172 1062 C 10 H 5 80 92.17 128.87 43.14 6.10E-02 20 -2.96E-06 3.76E-06 7.23E-06 03/18/97 Yes Yes 870 172 1062 C 10 H 5 85 92.22 124.26 48.27 5.32E-02 20 -2.12E-06 3.18E-06 6.88E-06 03/18/97 Yes Yes 870 172 1062 C 10 H 5 90 92.27 120.81 45.94 5.13E-02 20 -1.94E-06 3.33E-06 6.39E-06 03/18/97 Yes Yes 870 172 1062 C 10 H 5 95 92.32 117.56 40.29 4.31E-02 20 -1.61E-06 3.16E-06 4.83E-06 03/18/97 Yes Yes 870 172 1062 C 10 H 5 100 92.37 108.36 45.99 2.41E-02 20 -5.59E-07 1.72E-06 3.00E-06 03/18/97 Yes Yes 870 172 1062 C 10 H 5 105 92.42 110.65 45.27 2.23E-02 20 -5.88E-07 1.60E-06 2.75E-06 03/18/97 Yes Yes 870 172 1062 C 10 H 5 110 92.47 112.58 38.82 2.20E-02 20 -6.98E-07 1.72E-06 2.39E-06 03/18/97 Yes Yes 870 172 1062 C 10 H 5 115 92.52 116.15 35.45 1.81E-02 20 -6.89E-07 1.44E-06 1.82E-06 03/18/97 Yes Yes 870 172 1062 C 10 H 5 120 92.57 128.87 49.75 8.91E-03 20 -3.83E-07 4.86E-07 1.18E-06 03/18/97 Yes Yes 870 172 1062 C 10 H 5 125 92.62 146.82 61.75 4.93E-03 20 -2.07E-07 1.39E-07 7.53E-07 03/18/97 Yes Yes 870 172 1062 C 10 H 5 130 92.67 136.03 52.25 5.38E-03 20 -2.51E-07 2.48E-07 7.38E-07 03/18/97 Yes Yes 870 172 1062 C 10 H 5 135 92.72 125.42 36.72 1.09E-02 20 -5.36E-07 7.71E-07 1.13E-06 03/18/97 Yes Yes 870 172 1062 C 10 H 5 140 92.77 114.69 36.63 1.23E-02 20 -4.38E-07 9.75E-07 1.27E-06 03/18/97 Yes Yes 870 172 1062 C 10 H 5 145 92.82 107.99 34.02 1.38E-02 20 -3.74E-07 1.18E-06 1.33E-06 03/18/97 Yes Yes 870 172 1062 C 10 H 5 150 92.87 108.85 41.25 6.31E-03 20 -1.63E-07 4.87E-07 7.21E-07 03/18/97 Yes Yes 870 172 1062 C 10 H 6 0 92.87 72.95 52.71 3.49E-03 20 6.58E-08 2.19E-07 4.82E-07 03/18/97 Yes Yes 872 172 1062 C 10 H 6 5 92.92 91.45 31.64 1.04E-02 20 -2.37E-08 9.56E-07 9.42E-07 03/18/97 Yes Yes 872 172 1062 C 10 H 6 10 92.97 92.39 28.27 1.30E-02 20 -5.08E-08 1.24E-06 1.07E-06 03/18/97 Yes Yes 872 172 1062 C 10 H 6 15 93.02 96.36 31.85 9.63E-03 20 -9.61E-08 8.82E-07 8.81E-07 03/18/97 Yes Yes 872 172 1062 C 10 H 6 20 93.07 110.69 27.24 1.06E-02 20 -3.53E-07 9.55E-07 8.40E-07 03/18/97 Yes Yes 872 172 1062 C 10 H 6 25 93.12 117 24.08 8.56E-03 20 -3.76E-07 7.55E-07 6.06E-07 03/18/97 Yes Yes 872 172 1062 C 10 H 6 30 93.17 125.7 77.3 2.30E-03 20 -3.13E-08 4.45E-08 3.89E-07 03/18/97 Yes Yes 872 172 1062 C 10 H 6 35 93.22 112.25 46.64 5.68E-03 20 -1.57E-07 3.91E-07 7.15E-07 03/18/97 Yes Yes 872 172 1062 C 10 H 6 40 93.27 126.97 29.88 9.50E-03 20 -5.26E-07 7.14E-07 8.21E-07 03/18/97 Yes Yes 872 172 1062 C 10 H 6 45 93.32 131.09 27.51 8.29E-03 20 -5.13E-07 6.01E-07 6.64E-07 03/18/97 Yes Yes 872 172 1062 C 10 H 6 50 93.37 137.9 35.54 2.77E-03 20 -1.77E-07 1.64E-07 2.79E-07 03/18/97 Yes Yes 872 172 1062 C 10 H 6 55 93.42 304.68 30.09 9.15E-04 20 4.78E-08 -7.06E-08 7.95E-08 03/18/97 Yes Yes 872 172 1062 C 10 H 6 60 93.47 306.06 32.11 6.97E-04 20 3.69E-08 -5.18E-08 6.42E-08 03/18/97 Yes Yes 872 172 1062 C 10 H 6 65 93.52 90.42 64 9.84E-04 20 -3.34E-10 4.68E-08 1.53E-07 03/18/97 Yes Yes 872 172 1062 C 10 H 6 70 93.57 116.3 38.39 2.61E-03 20 -9.60E-08 1.99E-07 2.81E-07 03/18/97 Yes Yes 872 172 1062 C 10 H 6 75 93.62 115.49 43.23 2.45E-03 20 -8.15E-08 1.75E-07 2.91E-07 03/18/97 Yes Yes 872 172 1062 C 10 H 6 80 93.67 105.37 37.57 3.26E-03 20 -7.27E-08 2.70E-07 3.45E-07 03/18/97 Yes Yes 872 172 1062 C 10 H 6 85 93.72 107.26 41.56 3.10E-03 20 -7.31E-08 2.41E-07 3.57E-07 03/18/97 Yes Yes 872 172 1062 C 10 H 6 90 93.77 99.9 33.86 6.13E-03 20 -9.28E-08 5.44E-07 5.92E-07 03/18/97 Yes Yes 872 172 1062 C 10 H 6 95 93.82 104.23 26.19 1.01E-02 20 -2.36E-07 9.53E-07 7.73E-07 03/18/97 Yes Yes 872 172 1062 C 10 H 6 100 93.87 113.88 48.98 2.54E-03 20 -7.16E-08 1.65E-07 3.32E-07 03/18/97 Yes Yes 872 172 1062 C 10 H 6 105 93.92 282.3 31.73 1.20E-03 20 2.30E-08 -1.08E-07 1.09E-07 03/18/97 Yes Yes 872 172 1062 C 10 H 6 110 93.97 291.81 55.04 5.09E-04 20 1.15E-08 -2.94E-08 7.23E-08 03/18/97 Yes Yes 872 172 1062 C 10 H 6 115 94.02 101.36 66.21 5.21E-04 20 -4.39E-09 2.23E-08 8.26E-08 03/18/97 Yes Yes 872 172 1062 C 10 H 6 120 94.07 95.5 72.68 4.80E-04 20 -1.45E-09 1.54E-08 7.95E-08 03/18/97 Yes Yes 872 172 1062 C 10 H 6 125 94.12 74.32 87.07 5.87E-04 20 8.61E-10 3.14E-09 1.02E-07 03/18/97 Yes Yes 872 172 1062 C 10 H 6 130 94.17 90.8 60.62 9.94E-04 20 -7.27E-10 5.29E-08 1.50E-07 03/18/97 Yes Yes 872 172 1062 C 10 H 6 135 94.22 95.4 46.32 2.49E-03 20 -1.72E-08 1.86E-07 3.13E-07 03/18/97 Yes Yes 872 172 1062 C 10 H 6 140 94.27 83.46 70.45 1.93E-03 20 7.82E-09 6.97E-08 3.16E-07 03/18/97 Yes Yes 872 172 1062 C 10 H 6 145 94.32 77.68 74.98 1.09E-03 20 6.37E-09 2.98E-08 1.82E-07 03/18/97 Yes Yes 872 172 1062 C 10 H 6 150 94.37 152.91 47.36 4.99E-04 20 -3.19E-08 1.67E-08 6.36E-08 03/18/97 Yes Yes 872 172 1062 C 10 H 7 0 94.37 81.02 78.56 4.43E-04 20 1.45E-09 9.41E-09 7.52E-08 03/18/97 Yes Yes 874 172 1062 C 10 H 7 5 94.42 263.59 81.48 1.20E-03 20 -2.11E-09 -1.92E-08 2.06E-07 03/18/97 Yes Yes 874 172 1062 C 10 H 7 10 94.47 42.9 76.06 1.82E-03 20 3.41E-08 3.24E-08 3.07E-07 03/18/97 Yes Yes 874 172 1062 C 10 H 7 15 94.52 36.83 70.32 2.11E-03 20 6.03E-08 4.62E-08 3.44E-07 03/18/97 Yes Yes 874 172 1062 C 10 H 7 20 94.57 352.76 59.47 3.90E-03 20 2.08E-07 -2.71E-08 5.82E-07 03/18/97 Yes Yes 874 172 1062 C 10 H 7 25 94.62 26.37 86.84 4.83E-03 20 2.53E-08 1.28E-08 8.36E-07 03/18/97 Yes Yes 874 172 1062 C 10 H 7 30 94.67 159.29 61.88 2.69E-03 20 -1.26E-07 4.85E-08 4.11E-07 03/18/97 Yes Yes 874 172 1062 C 10 H 7 35 94.72 139.27 76.8 7.71E-04 20 -1.41E-08 1.25E-08 1.30E-07 03/18/97 Yes Yes 874 172 1062 C 11 H 1 0 94.9 159.23 83.68 1.30E-02 20 -1.42E-07 5.50E-08 2.24E-06 03/18/97 Yes Yes 876 172 1062 C 11 H 1 5 94.95 181.39 63.79 1.19E-02 20 -5.55E-07 -1.38E-08 1.84E-06 03/18/97 Yes Yes 876 172 1062 C 11 H 1 10 95 175.25 87.53 2.49E-03 20 -1.14E-08 9.65E-10 4.32E-07 03/18/97 Yes Yes 876 172 1062 C 11 H 1 15 95.05 357.79 55.21 1.33E-03 20 8.02E-08 -3.16E-09 1.89E-07 03/18/97 Yes Yes 876 172 1062 C 11 H 1 20 95.1 239.27 87.68 2.27E-03 20 -4.98E-09 -8.57E-09 3.93E-07 03/18/97 Yes Yes 876 172 1062 C 11 H 1 25 95.15 327.13 86.43 2.74E-03 20 1.52E-08 -1.01E-08 4.75E-07 03/18/97 Yes Yes 876 172 1062 C 11 H 1 30 95.2 351.77 59.72 3.74E-03 20 1.98E-07 -2.93E-08 5.60E-07 03/18/97 Yes Yes 876 172 1062 C 11 H 1 35 95.25 344.03 75.05 3.40E-03 20 8.95E-08 -2.62E-08 5.70E-07 03/18/97 Yes Yes 876 172 1062 C 11 H 1 40 95.3 31.06 74.74 2.81E-03 20 6.73E-08 4.14E-08 4.71E-07 03/18/97 Yes Yes 876 172 1062 C 11 H 1 45 95.35 27.52 79.63 3.06E-03 20 5.17E-08 2.76E-08 5.21E-07 03/18/97 Yes Yes 876 172 1062 C 11 H 1 50 95.4 15.48 81.97 2.68E-03 20 3.83E-08 1.08E-08 4.60E-07 03/18/97 Yes Yes 876 172 1062 C 11 H 1 55 95.45 4.5 64.86 2.99E-03 20 1.35E-07 1.08E-08 4.70E-07 03/18/97 Yes Yes 876 172 1062 C 11 H 1 60 95.5 351.3 64.33 3.41E-03 20 1.55E-07 -2.42E-08 5.32E-07 03/18/97 Yes Yes 876 172 1062 C 11 H 1 65 95.55 0.3 78.83 2.45E-03 20 5.04E-08 2.70E-10 4.17E-07 03/18/97 Yes Yes 876 172 1062 C 11 H 1 70 95.6 341.17 79.66 1.56E-03 20 2.82E-08 -9.83E-09 2.67E-07 03/18/97 Yes Yes 876 172 1062 C 11 H 1 75 95.65 349.12 74.2 1.49E-03 20 4.23E-08 -8.31E-09 2.49E-07 03/18/97 Yes Yes 876 172 1062 C 11 H 1 80 95.7 18.79 61.88 1.71E-03 20 8.07E-08 2.81E-08 2.61E-07 03/18/97 Yes Yes 876 172 1062 C 11 H 1 85 95.75 302.91 38.49 2.35E-03 20 1.06E-07 -1.67E-07 2.53E-07 03/18/97 Yes Yes 876 172 1062 C 11 H 1 90 95.8 262.65 10.02 7.17E-03 20 -9.58E-08 -7.60E-07 2.16E-07 03/18/97 Yes Yes 876 172 1062 C 11 H 1 95 95.85 243.33 -2.46 8.23E-03 20 -3.92E-07 -7.97E-07 -6.13E-08 03/18/97 Yes Yes 876 172 1062 C 11 H 1 100 95.9 242.36 -19.26 8.61E-03 20 -4.00E-07 -7.81E-07 -4.92E-07 03/18/97 Yes Yes 876 172 1062 C 11 H 1 105 95.95 250.07 -15.05 1.01E-02 20 -3.52E-07 -9.92E-07 -4.54E-07 03/18/97 Yes Yes 876 172 1062 C 11 H 1 110 96 249.6 -8.07 1.24E-02 20 -4.55E-07 -1.25E-06 -3.03E-07 03/18/97 Yes Yes 876 172 1062 C 11 H 1 115 96.05 242.46 -10.68 1.17E-02 20 -5.62E-07 -1.10E-06 -3.75E-07 03/18/97 Yes Yes 876 172 1062 C 11 H 1 120 96.1 239.36 -11.49 6.81E-03 20 -3.61E-07 -6.23E-07 -2.35E-07 03/18/97 Yes Yes 876 172 1062 C 11 H 1 125 96.15 242.47 -2.71 4.88E-03 20 -2.39E-07 -4.69E-07 -4.00E-08 03/18/97 Yes Yes 876 172 1062 C 11 H 1 130 96.2 252.09 -6.28 4.93E-03 20 -1.60E-07 -5.06E-07 -9.36E-08 03/18/97 Yes Yes 876 172 1062 C 11 H 1 135 96.25 277.56 -9.74 6.04E-03 20 8.31E-08 -6.40E-07 -1.77E-07 03/18/97 Yes Yes 876 172 1062 C 11 H 1 140 96.3 303.18 -3.92 4.45E-03 20 2.58E-07 -4.03E-07 -5.28E-08 03/18/97 Yes Yes 876 172 1062 C 11 H 1 145 96.35 300.28 35.68 2.19E-03 20 9.52E-08 -1.67E-07 2.22E-07 03/18/97 Yes Yes 876 172 1062 C 11 H 1 150 96.4 227.48 48.23 2.02E-03 20 -9.65E-08 -1.08E-07 2.61E-07 03/18/97 Yes Yes 876 172 1062 C 11 H 2 0 96.4 6.7 40.89 8.93E-04 20 7.11E-08 8.55E-09 1.01E-07 03/18/97 Yes Yes 878 172 1062 C 11 H 2 5 96.45 294.63 52.9 1.78E-03 20 4.75E-08 -1.06E-07 2.46E-07 03/18/97 Yes Yes 878 172 1062 C 11 H 2 10 96.5 250.12 23.22 3.11E-03 20 -1.03E-07 -2.91E-07 2.12E-07 03/18/97 Yes Yes 878 172 1062 C 11 H 2 15 96.55 235.96 5.94 5.26E-03 20 -3.11E-07 -4.70E-07 9.44E-08 03/18/97 Yes Yes 878 172 1062 C 11 H 2 20 96.6 231.68 2.76 6.91E-03 20 -4.54E-07 -5.88E-07 5.77E-08 03/18/97 Yes Yes 878 172 1062 C 11 H 2 25 96.65 241.55 8.13 5.35E-03 20 -2.68E-07 -5.05E-07 1.31E-07 03/18/97 Yes Yes 878 172 1062 C 11 H 2 30 96.7 240.93 12.3 3.93E-03 20 -1.98E-07 -3.64E-07 1.45E-07 03/18/97 Yes Yes 878 172 1062 C 11 H 2 35 96.75 243.98 0.99 5.17E-03 20 -2.40E-07 -5.04E-07 1.54E-08 03/18/97 Yes Yes 878 172 1062 C 11 H 2 40 96.8 250.41 -5.64 7.26E-03 20 -2.57E-07 -7.38E-07 -1.24E-07 03/18/97 Yes Yes 878 172 1062 C 11 H 2 45 96.85 248.04 -1.18 4.98E-03 20 -1.98E-07 -5.01E-07 -1.78E-08 03/18/97 Yes Yes 878 172 1062 C 11 H 2 50 96.9 205.49 21.29 1.38E-03 20 -1.23E-07 -6.00E-08 8.68E-08 03/18/97 Yes Yes 878 172 1062 C 11 H 2 55 96.95 94.76 30.09 7.51E-04 20 -5.72E-09 7.03E-08 6.53E-08 03/18/97 Yes Yes 878 172 1062 C 11 H 2 60 97 43.81 26.13 1.63E-03 20 1.12E-07 1.10E-07 1.24E-07 03/18/97 Yes Yes 878 172 1062 C 11 H 2 65 97.05 7.89 55.28 1.79E-03 20 1.07E-07 1.52E-08 2.55E-07 03/18/97 Yes Yes 878 172 1062 C 11 H 2 70 97.1 276.07 31.33 2.82E-03 20 2.70E-08 -2.59E-07 2.54E-07 03/18/97 Yes Yes 878 172 1062 C 11 H 2 75 97.15 257.58 19.32 3.76E-03 20 -8.09E-08 -3.75E-07 2.15E-07 03/18/97 Yes Yes 878 172 1062 C 11 H 2 80 97.2 230.69 4.66 6.24E-03 20 -4.18E-07 -5.22E-07 8.78E-08 03/18/97 Yes Yes 878 172 1062 C 11 H 2 85 97.25 225.25 -4.24 1.29E-02 20 -9.59E-07 -9.89E-07 -1.65E-07 03/18/97 Yes Yes 878 172 1062 C 11 H 2 90 97.3 231.08 -6.84 1.04E-02 20 -6.90E-07 -8.73E-07 -2.15E-07 03/18/97 Yes Yes 878 172 1062 C 11 H 2 95 97.35 239.29 -15.19 4.01E-03 20 -2.10E-07 -3.61E-07 -1.82E-07 03/18/97 Yes Yes 878 172 1062 C 11 H 2 100 97.4 214.44 -14.92 7.56E-03 20 -6.39E-07 -4.48E-07 -3.37E-07 03/18/97 Yes Yes 878 172 1062 C 11 H 2 105 97.45 213.98 -15.02 1.75E-02 20 -1.49E-06 -1.03E-06 -7.87E-07 03/18/97 Yes Yes 878 172 1062 C 11 H 2 110 97.5 215.8 -18.16 2.23E-02 20 -1.82E-06 -1.34E-06 -1.20E-06 03/18/97 Yes Yes 878 172 1062 C 11 H 2 115 97.55 208.6 -19.45 2.30E-02 20 -2.02E-06 -1.13E-06 -1.33E-06 03/18/97 Yes Yes 878 172 1062 C 11 H 2 120 97.6 212.82 -19.46 2.89E-02 20 -2.43E-06 -1.60E-06 -1.67E-06 03/18/97 Yes Yes 878 172 1062 C 11 H 2 125 97.65 219.59 -22.76 2.56E-02 20 -1.93E-06 -1.63E-06 -1.71E-06 03/18/97 Yes Yes 878 172 1062 C 11 H 2 130 97.7 220.91 -23.83 2.34E-02 20 -1.72E-06 -1.52E-06 -1.64E-06 03/18/97 Yes Yes 878 172 1062 C 11 H 2 135 97.75 223.29 -24.97 2.03E-02 20 -1.42E-06 -1.37E-06 -1.49E-06 03/18/97 Yes Yes 878 172 1062 C 11 H 2 140 97.8 226.31 -30.78 9.95E-03 20 -6.27E-07 -6.71E-07 -8.83E-07 03/18/97 Yes Yes 878 172 1062 C 11 H 2 145 97.85 50.68 -28.26 2.22E-03 20 1.32E-07 1.64E-07 -1.83E-07 03/18/97 Yes Yes 878 172 1062 C 11 H 2 150 97.9 44.73 1.71 2.01E-03 20 1.51E-07 1.53E-07 1.04E-08 03/18/97 Yes Yes 878 172 1062 C 11 H 3 0 97.9 19.85 37.67 2.19E-04 20 1.73E-08 6.38E-09 2.32E-08 03/18/97 Yes Yes 880 172 1062 C 11 H 3 5 97.95 20.44 49.95 3.42E-04 20 2.19E-08 8.34E-09 4.54E-08 03/18/97 Yes Yes 880 172 1062 C 11 H 3 10 98 309.7 67.09 3.55E-04 20 9.35E-09 -1.15E-08 5.66E-08 03/18/97 Yes Yes 880 172 1062 C 11 H 3 15 98.05 257.79 42.61 3.39E-04 20 -5.60E-09 -2.65E-08 3.98E-08 03/18/97 Yes Yes 880 172 1062 C 11 H 3 20 98.1 238.1 37.46 2.63E-04 20 -1.17E-08 -1.92E-08 2.77E-08 03/18/97 Yes Yes 880 172 1062 C 11 H 3 25 98.15 334.93 56.66 3.45E-04 20 1.82E-08 -8.72E-09 5.00E-08 03/18/97 Yes Yes 880 172 1062 C 11 H 3 30 98.2 20.96 28.04 1.46E-03 20 1.28E-07 5.02E-08 1.19E-07 03/18/97 Yes Yes 880 172 1062 C 11 H 3 35 98.25 29.97 38.41 1.34E-03 20 9.66E-08 5.69E-08 1.44E-07 03/18/97 Yes Yes 880 172 1062 C 11 H 3 40 98.3 154.4 74.32 3.01E-04 20 -7.77E-09 3.81E-09 5.02E-08 03/18/97 Yes Yes 880 172 1062 C 11 H 3 45 98.35 262.43 71.07 1.50E-04 20 -6.81E-10 -5.24E-09 2.46E-08 03/18/97 Yes Yes 880 172 1062 C 11 H 3 50 98.4 39.74 76.47 1.33E-04 20 2.53E-09 2.15E-09 2.24E-08 03/18/97 Yes Yes 880 172 1062 C 11 H 3 55 98.45 63.06 52.53 1.34E-04 20 3.91E-09 7.87E-09 1.84E-08 03/18/97 Yes Yes 880 172 1062 C 11 H 3 60 98.5 354.14 71.89 1.48E-04 20 4.85E-09 -5.09E-10 2.44E-08 03/18/97 Yes Yes 880 172 1062 C 11 H 3 65 98.55 248.21 73.08 8.93E-05 20 -1.02E-09 -2.62E-09 1.48E-08 03/18/97 Yes Yes 880 172 1062 C 11 H 3 70 98.6 52.86 46.64 6.86E-05 20 3.02E-09 4.08E-09 8.65E-09 03/18/97 Yes Yes 880 172 1062 C 11 H 3 75 98.65 43.76 24.48 1.29E-04 20 8.99E-09 8.80E-09 9.27E-09 03/18/97 Yes Yes 880 172 1062 C 11 H 3 80 98.7 64.46 56.05 1.07E-04 20 2.74E-09 5.87E-09 1.54E-08 03/18/97 Yes Yes 880 172 1062 C 11 H 3 85 98.75 202.71 9.16 3.94E-04 20 -3.81E-08 -1.63E-08 1.09E-08 03/18/97 Yes Yes 880 172 1062 C 11 H 3 90 98.8 210.05 -16.36 6.89E-04 20 -6.07E-08 -3.59E-08 -3.37E-08 03/18/97 Yes Yes 880 172 1062 C 11 H 3 95 98.85 213.86 -16.63 3.26E-03 20 -2.75E-07 -1.89E-07 -1.62E-07 03/18/97 Yes Yes 880 172 1062 C 11 H 3 100 98.9 214.5 -12.33 9.52E-03 20 -8.13E-07 -5.72E-07 -3.52E-07 03/18/97 Yes Yes 880 172 1062 C 11 H 3 105 98.95 216.99 -13.32 8.72E-03 20 -7.19E-07 -5.54E-07 -3.48E-07 03/18/97 Yes Yes 880 172 1062 C 11 H 3 110 99 228.69 -24.78 1.87E-03 20 -1.19E-07 -1.38E-07 -1.36E-07 03/18/97 Yes Yes 880 172 1062 C 11 H 3 115 99.05 43.79 -13.14 5.99E-04 20 4.47E-08 4.38E-08 -2.36E-08 03/18/97 Yes Yes 880 172 1062 C 11 H 3 120 99.1 82.62 -66.36 1.82E-04 20 9.93E-10 7.84E-09 -2.89E-08 03/18/97 Yes Yes 880 172 1062 C 11 H 3 125 99.15 228.94 -42.03 6.31E-04 20 -3.27E-08 -3.83E-08 -7.33E-08 03/18/97 Yes Yes 880 172 1062 C 11 H 3 130 99.2 227.93 -38.86 9.30E-04 20 -5.14E-08 -5.83E-08 -1.01E-07 03/18/97 Yes Yes 880 172 1062 C 11 H 3 135 99.25 211.65 -34.19 1.22E-03 20 -9.11E-08 -5.74E-08 -1.19E-07 03/18/97 Yes Yes 880 172 1062 C 11 H 3 140 99.3 208.48 -25.01 1.83E-03 20 -1.55E-07 -8.57E-08 -1.34E-07 03/18/97 Yes Yes 880 172 1062 C 11 H 3 145 99.35 216.61 -16.94 3.12E-03 20 -2.54E-07 -1.93E-07 -1.58E-07 03/18/97 Yes Yes 880 172 1062 C 11 H 3 150 99.4 218.65 -23.93 9.33E-04 20 -7.07E-08 -5.78E-08 -6.56E-08 03/18/97 Yes Yes 880 172 1062 C 11 H 4 0 99.4 171.04 -33.56 4.13E-04 20 -3.60E-08 5.82E-09 -3.96E-08 03/18/97 Yes Yes 882 172 1062 C 11 H 4 5 99.45 214.91 -12.71 3.79E-03 20 -3.22E-07 -2.30E-07 -1.45E-07 03/18/97 Yes Yes 882 172 1062 C 11 H 4 10 99.5 219.01 -14.14 7.13E-03 20 -5.70E-07 -4.72E-07 -3.02E-07 03/18/97 Yes Yes 882 172 1062 C 11 H 4 15 99.55 221.61 -16.53 9.85E-03 20 -7.49E-07 -6.80E-07 -4.86E-07 03/18/97 Yes Yes 882 172 1062 C 11 H 4 20 99.6 222.91 -22.06 4.96E-03 20 -3.57E-07 -3.39E-07 -3.23E-07 03/18/97 Yes Yes 882 172 1062 C 11 H 4 25 99.65 194.94 -59.91 6.87E-04 20 -3.53E-08 -9.64E-09 -1.03E-07 03/18/97 Yes Yes 882 172 1062 C 11 H 4 30 99.7 62.29 -28.93 3.10E-04 20 1.34E-08 2.61E-08 -2.60E-08 03/18/97 Yes Yes 882 172 1062 C 11 H 4 35 99.75 42.58 -3.86 3.91E-04 20 3.05E-08 2.86E-08 -4.57E-09 03/18/97 Yes Yes 882 172 1062 C 11 H 4 40 99.8 36.24 -1.03 4.97E-04 20 4.25E-08 3.19E-08 -1.54E-09 03/18/97 Yes Yes 882 172 1062 C 11 H 4 45 99.85 198.19 -5.12 1.58E-03 20 -1.59E-07 -5.34E-08 -2.45E-08 03/18/97 Yes Yes 882 172 1062 C 11 H 4 50 99.9 206.63 -7.52 3.74E-03 20 -3.51E-07 -1.80E-07 -8.48E-08 03/18/97 Yes Yes 882 172 1062 C 11 H 4 55 99.95 210.79 -13.04 9.85E-04 20 -8.74E-08 -5.33E-08 -3.85E-08 03/18/97 Yes Yes 882 172 1062 C 11 H 4 60 100 25.53 21.91 1.96E-04 20 1.74E-08 8.50E-09 1.27E-08 03/18/97 Yes Yes 882 172 1062 C 11 H 4 65 100.05 13.32 64.19 2.05E-04 20 9.23E-09 2.23E-09 3.20E-08 03/18/97 Yes Yes 882 172 1062 C 11 H 4 70 100.1 34.74 53.19 4.40E-04 20 2.30E-08 1.63E-08 6.11E-08 03/18/97 Yes Yes 882 172 1062 C 11 H 4 75 100.15 35.29 44.04 6.86E-04 20 4.27E-08 3.09E-08 8.27E-08 03/18/97 Yes Yes 882 172 1062 C 11 H 4 80 100.2 28.66 46.06 7.43E-04 20 4.80E-08 2.68E-08 9.28E-08 03/18/97 Yes Yes 882 172 1062 C 11 H 4 85 100.25 30.23 49.85 7.77E-04 20 4.59E-08 2.73E-08 1.03E-07 03/18/97 Yes Yes 882 172 1062 C 11 H 4 90 100.3 30.43 47.22 8.87E-04 20 5.51E-08 3.31E-08 1.13E-07 03/18/97 Yes Yes 882 172 1062 C 11 H 4 95 100.35 36.85 44.12 1.04E-03 20 6.33E-08 4.85E-08 1.25E-07 03/18/97 Yes Yes 882 172 1062 C 11 H 4 100 100.4 39.05 42.15 1.10E-03 20 6.71E-08 5.56E-08 1.28E-07 03/18/97 Yes Yes 882 172 1062 C 11 H 4 105 100.45 43.39 44.63 8.73E-04 20 4.79E-08 4.63E-08 1.06E-07 03/18/97 Yes Yes 882 172 1062 C 11 H 4 110 100.5 39.43 51.24 5.80E-04 20 2.98E-08 2.50E-08 7.85E-08 03/18/97 Yes Yes 882 172 1062 C 11 H 4 115 100.55 33.46 43.23 5.74E-04 20 3.70E-08 2.50E-08 6.82E-08 03/18/97 Yes Yes 882 172 1062 C 11 H 4 120 100.6 17.48 61.47 3.94E-04 20 1.90E-08 6.13E-09 6.00E-08 03/18/97 Yes Yes 882 172 1062 C 11 H 4 125 100.65 226.3 30.85 3.97E-04 20 -2.50E-08 -2.68E-08 3.53E-08 03/18/97 Yes Yes 882 172 1062 C 11 H 4 130 100.7 220.48 -1.39 5.15E-04 20 -4.15E-08 -3.62E-08 -2.17E-09 03/18/97 Yes Yes 882 172 1062 C 11 H 4 135 100.75 218.88 -16.49 6.42E-04 20 -5.08E-08 -4.19E-08 -3.16E-08 03/18/97 Yes Yes 882 172 1062 C 11 H 4 140 100.8 203.73 -22.04 7.73E-04 20 -6.96E-08 -3.13E-08 -5.03E-08 03/18/97 Yes Yes 882 172 1062 C 11 H 4 145 100.85 198.56 -16.63 1.18E-03 20 -1.13E-07 -3.90E-08 -5.84E-08 03/18/97 Yes Yes 882 172 1062 C 11 H 4 150 100.9 196.37 -21.65 6.69E-04 20 -6.32E-08 -1.90E-08 -4.28E-08 03/18/97 Yes Yes 882 172 1062 C 11 H 5 0 100.9 170.29 -8.81 2.78E-04 20 -2.87E-08 5.02E-09 -7.37E-09 03/18/97 Yes Yes 884 172 1062 C 11 H 5 5 100.95 200.54 -11.14 9.08E-04 20 -8.85E-08 -3.39E-08 -3.04E-08 03/18/97 Yes Yes 884 172 1062 C 11 H 5 10 101 216.49 -13.36 1.75E-03 20 -1.45E-07 -1.10E-07 -7.01E-08 03/18/97 Yes Yes 884 172 1062 C 11 H 5 15 101.05 219.66 -13.55 2.87E-03 20 -2.28E-07 -1.93E-07 -1.16E-07 03/18/97 Yes Yes 884 172 1062 C 11 H 5 20 101.1 217.87 -16.61 2.80E-03 20 -2.25E-07 -1.79E-07 -1.39E-07 03/18/97 Yes Yes 884 172 1062 C 11 H 5 25 101.15 211.44 -18.81 2.18E-03 20 -1.86E-07 -1.17E-07 -1.22E-07 03/18/97 Yes Yes 884 172 1062 C 11 H 5 30 101.2 210.75 -14.78 1.47E-03 20 -1.30E-07 -7.90E-08 -6.51E-08 03/18/97 Yes Yes 884 172 1062 C 11 H 5 35 101.25 321.82 50.08 2.36E-04 20 1.26E-08 -1.02E-08 3.14E-08 03/18/97 Yes Yes 884 172 1062 C 11 H 5 40 101.3 22.14 27.76 1.85E-03 20 1.61E-07 6.69E-08 1.49E-07 03/18/97 Yes Yes 884 172 1062 C 11 H 5 45 101.35 21.84 39.17 1.60E-03 20 1.22E-07 5.01E-08 1.75E-07 03/18/97 Yes Yes 884 172 1062 C 11 H 5 50 101.4 190.01 81.51 5.83E-04 20 -8.98E-09 -1.62E-09 9.99E-08 03/18/97 Yes Yes 884 172 1062 C 11 H 5 55 101.45 216.47 29.34 5.06E-04 20 -3.76E-08 -2.84E-08 4.30E-08 03/18/97 Yes Yes 884 172 1062 C 11 H 5 60 101.5 78.32 79.48 2.97E-04 20 1.16E-09 5.76E-09 5.06E-08 03/18/97 Yes Yes 884 172 1062 C 11 H 5 65 101.55 188.51 56.35 2.29E-04 20 -1.33E-08 -2.04E-09 3.30E-08 03/18/97 Yes Yes 884 172 1062 C 11 H 5 70 101.6 217.35 23.97 2.74E-04 20 -2.11E-08 -1.65E-08 1.93E-08 03/18/97 Yes Yes 884 172 1062 C 11 H 5 75 101.65 16.44 53.24 4.05E-04 20 2.46E-08 7.44E-09 5.62E-08 03/18/97 Yes Yes 884 172 1062 C 11 H 5 80 101.7 30.36 41.45 8.23E-04 20 5.64E-08 3.38E-08 9.44E-08 03/18/97 Yes Yes 884 172 1062 C 11 H 5 85 101.75 44.97 53.34 5.91E-04 20 2.65E-08 2.71E-08 8.22E-08 03/18/97 Yes Yes 884 172 1062 C 11 H 5 90 101.8 71.4 55.56 3.45E-04 20 6.60E-09 2.01E-08 4.93E-08 03/18/97 Yes Yes 884 172 1062 C 11 H 5 95 101.85 90.87 63.36 2.30E-04 20 -1.66E-10 1.12E-08 3.56E-08 03/18/97 Yes Yes 884 172 1062 C 11 H 5 100 101.9 197.15 39.58 3.45E-04 20 -2.69E-08 -8.49E-09 3.81E-08 03/18/97 Yes Yes 884 172 1062 C 11 H 5 105 101.95 221.41 47.86 5.03E-04 20 -2.68E-08 -2.42E-08 6.46E-08 03/18/97 Yes Yes 884 172 1062 C 11 H 5 110 102 320.37 45.77 7.20E-04 20 4.10E-08 -3.47E-08 8.94E-08 03/18/97 Yes Yes 884 172 1062 C 11 H 5 115 102.05 338.25 23.52 1.04E-03 20 9.43E-08 -3.85E-08 7.22E-08 03/18/97 Yes Yes 884 172 1062 C 11 H 5 120 102.1 14.8 23.18 1.28E-03 20 1.21E-07 3.26E-08 8.74E-08 03/18/97 Yes Yes 884 172 1062 C 11 H 5 125 102.15 285.23 50.32 2.66E-04 20 4.73E-09 -1.77E-08 3.54E-08 03/18/97 Yes Yes 884 172 1062 C 11 H 5 130 102.2 221.98 -12.82 1.66E-03 20 -1.28E-07 -1.18E-07 -6.40E-08 03/18/97 Yes Yes 884 172 1062 C 11 H 5 135 102.25 217.14 -17.33 1.91E-03 20 -1.54E-07 -1.20E-07 -9.88E-08 03/18/97 Yes Yes 884 172 1062 C 11 H 5 140 102.3 220.79 -9.54 1.64E-03 20 -1.30E-07 -1.14E-07 -4.71E-08 03/18/97 Yes Yes 884 172 1062 C 11 H 5 145 102.35 231.63 -8.56 2.25E-03 20 -1.47E-07 -1.90E-07 -5.82E-08 03/18/97 Yes Yes 884 172 1062 C 11 H 5 150 102.4 241.87 -16.6 2.07E-03 20 -9.90E-08 -1.89E-07 -1.02E-07 03/18/97 Yes Yes 884 172 1062 C 11 H 6 0 102.4 219.84 -43.15 1.83E-03 20 -1.09E-07 -9.29E-08 -2.17E-07 03/18/97 Yes Yes 886 172 1062 C 11 H 6 5 102.45 222.95 -27.6 5.70E-03 20 -3.92E-07 -3.74E-07 -4.58E-07 03/18/97 Yes Yes 886 172 1062 C 11 H 6 10 102.5 211.08 -23.84 6.60E-03 20 -5.49E-07 -3.38E-07 -4.63E-07 03/18/97 Yes Yes 886 172 1062 C 11 H 6 15 102.55 213.05 -15.52 7.90E-03 20 -6.77E-07 -4.50E-07 -3.66E-07 03/18/97 Yes Yes 886 172 1062 C 11 H 6 20 102.6 213.39 -13.61 1.03E-02 20 -8.83E-07 -5.95E-07 -4.18E-07 03/18/97 Yes Yes 886 172 1062 C 11 H 6 25 102.65 207.98 -18.62 1.16E-02 20 -1.03E-06 -5.61E-07 -6.44E-07 03/18/97 Yes Yes 886 172 1062 C 11 H 6 30 102.7 205.87 -18.8 1.45E-02 20 -1.31E-06 -6.49E-07 -8.09E-07 03/18/97 Yes Yes 886 172 1062 C 11 H 6 35 102.75 199.11 -16.22 1.84E-02 20 -1.77E-06 -6.29E-07 -8.93E-07 03/18/97 Yes Yes 886 172 1062 C 11 H 6 40 102.8 185.79 -14.53 2.00E-02 20 -2.05E-06 -2.12E-07 -8.71E-07 03/18/97 Yes Yes 886 172 1062 C 11 H 6 45 102.85 183.71 -13.41 2.14E-02 20 -2.20E-06 -1.46E-07 -8.60E-07 03/18/97 Yes Yes 886 172 1062 C 11 H 6 50 102.9 191.61 -11.57 1.94E-02 20 -1.97E-06 -4.15E-07 -6.74E-07 03/18/97 Yes Yes 886 172 1062 C 11 H 6 55 102.95 201.77 -7.25 1.84E-02 20 -1.80E-06 -7.35E-07 -4.03E-07 03/18/97 Yes Yes 886 172 1062 C 11 H 6 60 103 209.35 -6.58 2.30E-02 20 -2.11E-06 -1.21E-06 -4.56E-07 03/18/97 Yes Yes 886 172 1062 C 11 H 6 65 103.05 215.03 -16.14 2.54E-02 20 -2.12E-06 -1.52E-06 -1.23E-06 03/18/97 Yes Yes 886 172 1062 C 11 H 6 70 103.1 219.53 -34.35 2.09E-02 20 -1.41E-06 -1.19E-06 -2.05E-06 03/18/97 Yes Yes 886 172 1062 C 11 H 6 75 103.15 222.44 -51.05 1.48E-02 20 -7.30E-07 -6.82E-07 -2.00E-06 03/18/97 Yes Yes 886 172 1062 C 11 H 6 80 103.2 220.51 -57.2 9.24E-03 20 -4.04E-07 -3.53E-07 -1.35E-06 03/18/97 Yes Yes 886 172 1062 C 11 H 6 85 103.25 194.61 -31.27 7.99E-03 20 -7.01E-07 -1.87E-07 -7.19E-07 03/18/97 Yes Yes 886 172 1062 C 11 H 6 90 103.3 192.96 -11.59 1.18E-02 20 -1.19E-06 -2.80E-07 -4.09E-07 03/18/97 Yes Yes 886 172 1062 C 11 H 6 95 103.35 198.66 -8.73 1.22E-02 20 -1.22E-06 -4.20E-07 -3.22E-07 03/18/97 Yes Yes 886 172 1062 C 11 H 6 100 103.4 215.8 -16.22 1.15E-02 20 -9.50E-07 -7.01E-07 -5.57E-07 03/18/97 Yes Yes 886 172 1062 C 11 H 6 105 103.45 227.67 -23.88 9.78E-03 20 -6.39E-07 -7.17E-07 -6.86E-07 03/18/97 Yes Yes 886 172 1062 C 11 H 6 110 103.5 226.65 -27.53 1.08E-02 20 -6.96E-07 -7.54E-07 -8.63E-07 03/18/97 Yes Yes 886 172 1062 C 11 H 6 115 103.55 230.25 -35.34 7.66E-03 20 -4.24E-07 -5.21E-07 -7.68E-07 03/18/97 Yes Yes 886 172 1062 C 11 H 6 120 103.6 221.73 -36.61 4.77E-03 20 -3.03E-07 -2.76E-07 -4.93E-07 03/18/97 Yes Yes 886 172 1062 C 11 H 6 125 103.65 221.44 -28.84 4.59E-03 20 -3.20E-07 -2.89E-07 -3.84E-07 03/18/97 Yes Yes 886 172 1062 C 11 H 6 130 103.7 227.71 -40.76 2.74E-03 20 -1.48E-07 -1.66E-07 -3.10E-07 03/18/97 Yes Yes 886 172 1062 C 11 H 6 135 103.75 216.03 -39.46 3.08E-03 20 -2.04E-07 -1.52E-07 -3.40E-07 03/18/97 Yes Yes 886 172 1062 C 11 H 6 140 103.8 216.67 -28.93 7.26E-03 20 -5.41E-07 -4.12E-07 -6.09E-07 03/18/97 Yes Yes 886 172 1062 C 11 H 6 145 103.85 220.48 -19.35 1.32E-02 20 -1.01E-06 -8.77E-07 -7.58E-07 03/18/97 Yes Yes 886 172 1062 C 11 H 6 150 103.9 227.93 -17.97 1.57E-02 20 -1.06E-06 -1.20E-06 -8.39E-07 03/18/97 Yes Yes 886 172 1062 C 11 H 7 0 103.9 213.13 -35.27 9.91E-04 20 -7.19E-08 -4.80E-08 -9.93E-08 03/18/97 Yes Yes 888 172 1062 C 11 H 7 5 103.95 206.55 -20.63 4.93E-03 20 -4.38E-07 -2.24E-07 -3.01E-07 03/18/97 Yes Yes 888 172 1062 C 11 H 7 10 104 209.23 -22.44 8.13E-03 20 -6.95E-07 -3.98E-07 -5.38E-07 03/18/97 Yes Yes 888 172 1062 C 11 H 7 15 104.05 214.05 -34.05 4.39E-03 20 -3.20E-07 -2.21E-07 -4.26E-07 03/18/97 Yes Yes 888 172 1062 C 11 H 7 20 104.1 296.14 -57.81 1.89E-03 20 4.69E-08 -9.78E-08 -2.77E-07 03/18/97 Yes Yes 888 172 1062 C 11 H 7 25 104.15 219.92 -72.73 2.57E-03 20 -6.21E-08 -5.32E-08 -4.26E-07 03/18/97 Yes Yes 888 172 1062 C 11 H 7 30 104.2 187.3 -30.02 1.21E-02 20 -1.10E-06 -1.44E-07 -1.05E-06 03/18/97 Yes Yes 888 172 1062 C 11 H 7 35 104.25 191.53 -24.16 2.36E-02 20 -2.24E-06 -4.67E-07 -1.67E-06 03/18/97 Yes Yes 888 172 1062 C 11 H 7 40 104.3 201.28 -26.61 1.07E-02 20 -9.43E-07 -3.75E-07 -8.28E-07 03/18/97 Yes Yes 888 172 1062 C 11 H 7 45 104.35 347.62 -66.99 3.18E-03 20 1.29E-07 -2.89E-08 -5.08E-07 03/18/97 Yes Yes 888 172 1062 C 11 H 7 50 104.4 191.52 -13.25 3.28E-02 20 -3.32E-06 -6.92E-07 -1.30E-06 03/18/97 Yes Yes 888 172 1062 C 12 H 1 0 104.4 345.67 66 2.65E-03 20 1.11E-07 -2.89E-08 4.19E-07 03/18/97 Yes Yes 890 172 1062 C 12 H 1 5 104.45 107.14 74.77 1.91E-03 20 -1.57E-08 5.20E-08 3.20E-07 03/18/97 Yes Yes 890 172 1062 C 12 H 1 10 104.5 128.82 67.1 6.08E-04 20 -1.57E-08 2.00E-08 9.71E-08 03/18/97 Yes Yes 890 172 1062 C 12 H 1 15 104.55 5.14 62.77 1.94E-04 20 9.39E-09 8.63E-10 2.99E-08 03/18/97 Yes Yes 890 172 1062 C 12 H 1 20 104.6 321.77 51.6 1.90E-04 20 9.81E-09 -7.90E-09 2.58E-08 03/18/97 Yes Yes 890 172 1062 C 12 H 1 25 104.65 318.63 47.41 1.63E-04 20 8.77E-09 -7.90E-09 2.08E-08 03/18/97 Yes Yes 890 172 1062 C 12 H 1 30 104.7 87.7 31.25 8.30E-05 20 3.01E-10 7.69E-09 7.46E-09 03/18/97 Yes Yes 890 172 1062 C 12 H 1 35 104.75 117.01 -20.47 3.14E-04 20 -1.42E-08 2.84E-08 -1.90E-08 03/18/97 Yes Yes 890 172 1062 C 12 H 1 40 104.8 149.78 -32.63 3.93E-04 20 -3.03E-08 1.81E-08 -3.67E-08 03/18/97 Yes Yes 890 172 1062 C 12 H 1 45 104.85 158.8 -27.12 5.10E-04 20 -4.49E-08 1.78E-08 -4.03E-08 03/18/97 Yes Yes 890 172 1062 C 12 H 1 50 104.9 147.86 -25.03 5.04E-04 20 -4.10E-08 2.63E-08 -3.70E-08 03/18/97 Yes Yes 890 172 1062 C 12 H 1 55 104.95 53.78 -49.44 2.01E-04 20 8.18E-09 1.14E-08 -2.64E-08 03/18/97 Yes Yes 890 172 1062 C 12 H 1 60 105 15.59 -12.69 3.87E-04 20 3.86E-08 1.10E-08 -1.47E-08 03/18/97 Yes Yes 890 172 1062 C 12 H 1 65 105.05 20.34 -3.84 3.26E-04 20 3.23E-08 1.23E-08 -3.78E-09 03/18/97 Yes Yes 890 172 1062 C 12 H 1 70 105.1 36.84 9.19 3.18E-04 20 2.66E-08 2.04E-08 8.81E-09 03/18/97 Yes Yes 890 172 1062 C 12 H 1 75 105.15 40.34 15.14 3.95E-04 20 3.08E-08 2.67E-08 1.79E-08 03/18/97 Yes Yes 890 172 1062 C 12 H 1 80 105.2 46 15.35 5.64E-04 20 4.00E-08 4.24E-08 2.59E-08 03/18/97 Yes Yes 890 172 1062 C 12 H 1 85 105.25 90.51 10.23 1.50E-04 20 -1.39E-10 1.60E-08 4.61E-09 03/18/97 Yes Yes 890 172 1062 C 12 H 1 90 105.3 149.2 -34.31 2.85E-04 20 -2.14E-08 1.31E-08 -2.79E-08 03/18/97 Yes Yes 890 172 1062 C 12 H 1 95 105.35 97.36 -17.52 3.43E-04 20 -4.45E-09 3.52E-08 -1.79E-08 03/18/97 Yes Yes 890 172 1062 C 12 H 1 100 105.4 87.18 -4.93 3.40E-04 20 1.77E-09 3.67E-08 -5.07E-09 03/18/97 Yes Yes 890 172 1062 C 12 H 1 105 105.45 79.26 -4.38 1.72E-04 20 3.39E-09 1.83E-08 -2.28E-09 03/18/97 Yes Yes 890 172 1062 C 12 H 1 110 105.5 94.27 -12.09 3.12E-04 20 -2.41E-09 3.30E-08 -1.13E-08 03/18/97 Yes Yes 890 172 1062 C 12 H 1 115 105.55 97.07 -12.91 5.99E-04 20 -7.62E-09 6.29E-08 -2.32E-08 03/18/97 Yes Yes 890 172 1062 C 12 H 1 120 105.6 91.18 -11.05 6.86E-04 20 -1.47E-09 7.30E-08 -2.28E-08 03/18/97 Yes Yes 890 172 1062 C 12 H 1 125 105.65 79.8 -14.29 2.96E-04 20 5.40E-09 3.07E-08 -1.27E-08 03/18/97 Yes Yes 890 172 1062 C 12 H 1 130 105.7 61.45 -13.77 1.13E-04 20 5.58E-09 1.05E-08 -4.68E-09 03/18/97 Yes Yes 890 172 1062 C 12 H 1 135 105.75 270.67 34.49 1.08E-04 20 1.11E-10 -9.66E-09 1.06E-08 03/18/97 Yes Yes 890 172 1062 C 12 H 1 140 105.8 218.44 50.59 5.64E-05 20 -2.98E-09 -2.42E-09 7.56E-09 03/18/97 Yes Yes 890 172 1062 C 12 H 1 145 105.85 77.87 7.89 3.08E-04 20 6.80E-09 3.24E-08 7.33E-09 03/18/97 Yes Yes 890 172 1062 C 12 H 1 150 105.9 95.23 17.26 1.97E-04 20 -1.82E-09 2.03E-08 1.01E-08 03/18/97 Yes Yes 890 172 1062 C 12 H 2 0 105.9 11.06 69.86 1.02E-04 20 3.66E-09 7.33E-10 1.66E-08 03/18/97 Yes Yes 892 172 1062 C 12 H 2 5 105.95 312.01 73 2.62E-04 20 5.43E-09 -6.16E-09 4.34E-08 03/18/97 Yes Yes 892 172 1062 C 12 H 2 10 106 265.88 69.98 2.73E-04 20 -7.12E-10 -1.01E-08 4.44E-08 03/18/97 Yes Yes 892 172 1062 C 12 H 2 15 106.05 274.21 56.16 3.21E-04 20 1.39E-09 -1.93E-08 4.62E-08 03/18/97 Yes Yes 892 172 1062 C 12 H 2 20 106.1 266.42 60.13 2.50E-04 20 -8.26E-10 -1.35E-08 3.76E-08 03/18/97 Yes Yes 892 172 1062 C 12 H 2 25 106.15 73.28 22.2 1.53E-04 20 4.32E-09 1.47E-08 1.00E-08 03/18/97 Yes Yes 892 172 1062 C 12 H 2 30 106.2 66.21 -4.06 2.76E-04 20 1.18E-08 2.73E-08 -3.39E-09 03/18/97 Yes Yes 892 172 1062 C 12 H 2 35 106.25 56.02 -8.78 2.34E-04 20 1.37E-08 2.08E-08 -6.19E-09 03/18/97 Yes Yes 892 172 1062 C 12 H 2 40 106.3 42.36 -2.04 5.38E-05 20 4.21E-09 3.93E-09 -3.32E-10 03/18/97 Yes Yes 892 172 1062 C 12 H 2 45 106.35 323.19 57.86 1.24E-05 20 5.61E-10 -4.29E-10 1.82E-09 03/18/97 Yes Yes 892 172 1062 C 12 H 2 50 106.4 74.83 1.38 5.54E-05 20 1.54E-09 5.80E-09 2.31E-10 03/18/97 Yes Yes 892 172 1062 C 12 H 2 55 106.45 60.74 -10.19 6.03E-05 20 3.07E-09 5.61E-09 -1.85E-09 03/18/97 Yes Yes 892 172 1062 C 12 H 2 60 106.5 64.61 -16.58 3.42E-05 20 1.49E-09 3.22E-09 -1.69E-09 03/18/97 Yes Yes 892 172 1062 C 12 H 2 65 106.55 70.34 -12.36 6.90E-05 20 2.41E-09 6.88E-09 -2.56E-09 03/18/97 Yes Yes 892 172 1062 C 12 H 2 70 106.6 51.28 -6.03 8.53E-05 20 5.63E-09 7.18E-09 -1.55E-09 03/18/97 Yes Yes 892 172 1062 C 12 H 2 75 106.65 57.95 0.79 1.70E-04 20 9.57E-09 1.56E-08 4.05E-10 03/18/97 Yes Yes 892 172 1062 C 12 H 2 80 106.7 58.02 5.35 2.28E-04 20 1.27E-08 2.09E-08 3.68E-09 03/18/97 Yes Yes 892 172 1062 C 12 H 2 85 106.75 57.53 10.81 1.22E-04 20 6.84E-09 1.10E-08 3.98E-09 03/18/97 Yes Yes 892 172 1062 C 12 H 2 90 106.8 80 13.07 4.59E-05 20 8.23E-10 4.77E-09 1.80E-09 03/18/97 Yes Yes 892 172 1062 C 12 H 2 95 106.85 13.95 47.46 2.38E-05 20 1.65E-09 4.20E-10 3.04E-09 03/18/97 Yes Yes 892 172 1062 C 12 H 2 100 106.9 39.85 35.14 9.02E-05 20 6.01E-09 5.13E-09 9.00E-09 03/18/97 Yes Yes 892 172 1062 C 12 H 2 105 106.95 45.64 29.69 1.61E-04 20 1.04E-08 1.09E-08 1.38E-08 03/18/97 Yes Yes 892 172 1062 C 12 H 2 110 107 26.32 39.94 1.76E-04 20 1.28E-08 6.48E-09 1.96E-08 03/18/97 Yes Yes 892 172 1062 C 12 H 2 115 107.05 356.14 58.34 1.70E-04 20 9.46E-09 -6.53E-10 2.51E-08 03/18/97 Yes Yes 892 172 1062 C 12 H 2 120 107.1 282.94 54.15 1.36E-04 20 1.89E-09 -8.39E-09 1.91E-08 03/18/97 Yes Yes 892 172 1062 C 12 H 2 125 107.15 257.92 8.57 1.85E-04 20 -4.06E-09 -1.94E-08 4.78E-09 03/18/97 Yes Yes 892 172 1062 C 12 H 2 130 107.2 131.13 -71 1.76E-04 20 -4.00E-09 4.68E-09 -2.89E-08 03/18/97 Yes Yes 892 172 1062 C 12 H 2 135 107.25 80.47 -24.16 1.44E-03 20 2.31E-08 1.41E-07 -1.02E-07 03/18/97 Yes Yes 892 172 1062 C 12 H 2 140 107.3 76.98 -19.7 2.07E-03 20 4.66E-08 2.06E-07 -1.21E-07 03/18/97 Yes Yes 892 172 1062 C 12 H 2 145 107.35 80.29 -21.73 1.41E-03 20 2.35E-08 1.40E-07 -9.06E-08 03/18/97 Yes Yes 892 172 1062 C 12 H 2 150 107.4 79.98 -21.47 7.94E-04 20 1.36E-08 7.90E-08 -5.04E-08 03/18/97 Yes Yes 892 172 1062 C 12 H 3 0 107.4 65.44 -35.39 2.53E-04 20 9.10E-09 2.04E-08 -2.54E-08 03/18/97 Yes Yes 894 172 1062 C 12 H 3 5 107.45 83.83 -16.95 1.99E-03 20 2.17E-08 2.05E-07 -1.00E-07 03/18/97 Yes Yes 894 172 1062 C 12 H 3 10 107.5 86.98 -22.97 2.54E-03 20 1.31E-08 2.54E-07 -1.72E-07 03/18/97 Yes Yes 894 172 1062 C 12 H 3 15 107.55 93.81 -34.01 2.52E-03 20 -1.47E-08 2.26E-07 -2.44E-07 03/18/97 Yes Yes 894 172 1062 C 12 H 3 20 107.6 83.6 -33.8 3.70E-03 20 3.64E-08 3.32E-07 -3.57E-07 03/18/97 Yes Yes 894 172 1062 C 12 H 3 25 107.65 72.5 -33.41 4.03E-03 20 1.07E-07 3.48E-07 -3.84E-07 03/18/97 Yes Yes 894 172 1062 C 12 H 3 30 107.7 69.52 -26.49 3.92E-03 20 1.30E-07 3.57E-07 -3.03E-07 03/18/97 Yes Yes 894 172 1062 C 12 H 3 35 107.75 67.34 -27.22 1.84E-03 20 6.67E-08 1.63E-07 -1.46E-07 03/18/97 Yes Yes 894 172 1062 C 12 H 3 40 107.8 83 -29.59 7.49E-04 20 8.43E-09 7.02E-08 -6.42E-08 03/18/97 Yes Yes 894 172 1062 C 12 H 3 45 107.85 77.3 -58.46 1.97E-04 20 2.40E-09 1.09E-08 -2.91E-08 03/18/97 Yes Yes 894 172 1062 C 12 H 3 50 107.9 301.85 -55.39 9.55E-05 20 3.04E-09 -5.00E-09 -1.36E-08 03/18/97 Yes Yes 894 172 1062 C 12 H 3 55 107.95 27.58 -17.55 1.25E-04 20 1.12E-08 6.00E-09 -6.56E-09 03/18/97 Yes Yes 894 172 1062 C 12 H 3 60 108 26.86 7.29 1.09E-04 20 1.02E-08 5.28E-09 2.39E-09 03/18/97 Yes Yes 894 172 1062 C 12 H 3 65 108.05 10.33 16.2 1.13E-04 20 1.13E-08 2.10E-09 5.44E-09 03/18/97 Yes Yes 894 172 1062 C 12 H 3 70 108.1 42.66 11.63 3.31E-04 20 2.53E-08 2.38E-08 1.16E-08 03/18/97 Yes Yes 894 172 1062 C 12 H 3 75 108.15 47.58 19.33 3.93E-04 20 2.65E-08 2.97E-08 2.26E-08 03/18/97 Yes Yes 894 172 1062 C 12 H 3 80 108.2 20.63 56.12 2.46E-04 20 1.36E-08 5.24E-09 3.54E-08 03/18/97 Yes Yes 894 172 1062 C 12 H 3 85 108.25 70.92 49.45 1.79E-04 20 4.04E-09 1.19E-08 2.36E-08 03/18/97 Yes Yes 894 172 1062 C 12 H 3 90 108.3 79.73 4.14 4.45E-04 20 8.39E-09 4.73E-08 5.56E-09 03/18/97 Yes Yes 894 172 1062 C 12 H 3 95 108.35 70.69 -9.05 4.85E-04 20 1.68E-08 4.90E-08 -1.32E-08 03/18/97 Yes Yes 894 172 1062 C 12 H 3 100 108.4 57.08 -30.55 3.16E-04 20 1.57E-08 2.48E-08 -2.78E-08 03/18/97 Yes Yes 894 172 1062 C 12 H 3 105 108.45 75.04 -43.86 3.08E-04 20 6.07E-09 2.32E-08 -3.70E-08 03/18/97 Yes Yes 894 172 1062 C 12 H 3 110 108.5 64.11 -19.38 5.36E-04 20 2.34E-08 4.93E-08 -3.08E-08 03/18/97 Yes Yes 894 172 1062 C 12 H 3 115 108.55 50.74 -5.52 4.74E-04 20 3.17E-08 3.97E-08 -7.91E-09 03/18/97 Yes Yes 894 172 1062 C 12 H 3 120 108.6 35.43 23.12 5.09E-04 20 4.05E-08 2.95E-08 3.47E-08 03/18/97 Yes Yes 894 172 1062 C 12 H 3 125 108.65 54.45 47.97 3.74E-04 20 1.55E-08 2.21E-08 4.82E-08 03/18/97 Yes Yes 894 172 1062 C 12 H 3 130 108.7 69.36 -5.3 5.41E-04 20 2.01E-08 5.46E-08 -8.66E-09 03/18/97 Yes Yes 894 172 1062 C 12 H 3 135 108.75 53.93 -17.21 5.78E-04 20 3.45E-08 4.84E-08 -2.96E-08 03/18/97 Yes Yes 894 172 1062 C 12 H 3 140 108.8 53.04 -21.01 5.61E-04 20 3.34E-08 4.54E-08 -3.48E-08 03/18/97 Yes Yes 894 172 1062 C 12 H 3 145 108.85 63.23 -17.41 1.15E-03 20 5.22E-08 1.06E-07 -5.94E-08 03/18/97 Yes Yes 894 172 1062 C 12 H 3 150 108.9 63.95 -17.03 1.42E-03 20 6.34E-08 1.33E-07 -7.22E-08 03/18/97 Yes Yes 894 172 1062 C 12 H 4 0 108.9 70.88 -27.58 2.79E-04 20 8.58E-09 2.53E-08 -2.24E-08 03/18/97 Yes Yes 896 172 1062 C 12 H 4 5 108.95 79.03 -29.23 3.59E-04 20 6.33E-09 3.34E-08 -3.04E-08 03/18/97 Yes Yes 896 172 1062 C 12 H 4 10 109 82.42 -29.55 5.19E-04 20 6.32E-09 4.86E-08 -4.44E-08 03/18/97 Yes Yes 896 172 1062 C 12 H 4 15 109.05 75.23 -21.86 8.87E-04 20 2.22E-08 8.63E-08 -5.72E-08 03/18/97 Yes Yes 896 172 1062 C 12 H 4 20 109.1 71.21 -38.84 4.70E-04 20 1.25E-08 3.76E-08 -5.11E-08 03/18/97 Yes Yes 896 172 1062 C 12 H 4 25 109.15 70.35 -58.15 6.77E-04 20 1.27E-08 3.65E-08 -9.98E-08 03/18/97 Yes Yes 896 172 1062 C 12 H 4 30 109.2 75.7 -28.26 2.52E-03 20 5.82E-08 2.33E-07 -2.07E-07 03/18/97 Yes Yes 896 172 1062 C 12 H 4 35 109.25 77.26 -26.29 2.72E-03 20 5.70E-08 2.58E-07 -2.09E-07 03/18/97 Yes Yes 896 172 1062 C 12 H 4 40 109.3 83.48 -30.31 1.75E-03 20 1.82E-08 1.63E-07 -1.53E-07 03/18/97 Yes Yes 896 172 1062 C 12 H 4 45 109.35 87.55 -32.93 1.23E-03 20 4.67E-09 1.12E-07 -1.16E-07 03/18/97 Yes Yes 896 172 1062 C 12 H 4 50 109.4 84.42 -33.34 1.19E-03 20 1.02E-08 1.07E-07 -1.13E-07 03/18/97 Yes Yes 896 172 1062 C 12 H 4 55 109.45 65.71 -29.41 1.25E-03 20 4.76E-08 1.08E-07 -1.07E-07 03/18/97 Yes Yes 896 172 1062 C 12 H 4 60 109.5 52.51 -25.71 1.51E-03 20 8.79E-08 1.17E-07 -1.14E-07 03/18/97 Yes Yes 896 172 1062 C 12 H 4 65 109.55 63.24 -24.98 1.58E-03 20 6.85E-08 1.39E-07 -1.16E-07 03/18/97 Yes Yes 896 172 1062 C 12 H 4 70 109.6 70.91 -26.94 1.38E-03 20 4.27E-08 1.26E-07 -1.08E-07 03/18/97 Yes Yes 896 172 1062 C 12 H 4 75 109.65 58.03 -41.58 4.96E-04 20 2.08E-08 3.41E-08 -5.71E-08 03/18/97 Yes Yes 896 172 1062 C 12 H 4 80 109.7 54.43 -52.9 3.10E-04 20 1.15E-08 1.65E-08 -4.29E-08 03/18/97 Yes Yes 896 172 1062 C 12 H 4 85 109.75 42.03 -24.81 4.39E-04 20 3.14E-08 2.89E-08 -3.19E-08 03/18/97 Yes Yes 896 172 1062 C 12 H 4 90 109.8 45.38 -13.76 4.28E-04 20 3.09E-08 3.21E-08 -1.76E-08 03/18/97 Yes Yes 896 172 1062 C 12 H 4 95 109.85 59.64 -10 7.49E-04 20 3.96E-08 6.91E-08 -2.26E-08 03/18/97 Yes Yes 896 172 1062 C 12 H 4 100 109.9 59.48 -1.5 7.15E-04 20 3.85E-08 6.68E-08 -3.25E-09 03/18/97 Yes Yes 896 172 1062 C 12 H 4 105 109.95 18.4 54.64 1.57E-04 20 9.17E-09 3.12E-09 2.23E-08 03/18/97 Yes Yes 896 172 1062 C 12 H 4 110 110 21.9 75.1 1.66E-04 20 4.20E-09 1.73E-09 2.78E-08 03/18/97 Yes Yes 896 172 1062 C 12 H 4 115 110.05 323.08 59.49 2.20E-04 20 9.49E-09 -7.29E-09 3.29E-08 03/18/97 Yes Yes 896 172 1062 C 12 H 4 120 110.1 278.02 45.57 3.06E-04 20 3.17E-09 -2.30E-08 3.78E-08 03/18/97 Yes Yes 896 172 1062 C 12 H 4 125 110.15 260.07 32.89 5.05E-04 20 -7.75E-09 -4.53E-08 4.75E-08 03/18/97 Yes Yes 896 172 1062 C 12 H 4 130 110.2 261.92 38.87 5.44E-04 20 -6.32E-09 -4.55E-08 5.92E-08 03/18/97 Yes Yes 896 172 1062 C 12 H 4 135 110.25 292.73 69.29 4.12E-04 20 5.97E-09 -1.46E-08 6.68E-08 03/18/97 Yes Yes 896 172 1062 C 12 H 4 140 110.3 301.9 83.24 4.63E-04 20 3.06E-09 -5.02E-09 7.98E-08 03/18/97 Yes Yes 896 172 1062 C 12 H 4 145 110.35 167.19 85.87 4.54E-04 20 -3.38E-09 7.85E-10 7.85E-08 03/18/97 Yes Yes 896 172 1062 C 12 H 4 150 110.4 162.31 77.15 3.02E-04 20 -6.79E-09 2.21E-09 5.10E-08 03/18/97 Yes Yes 896 172 1062 C 12 H 5 0 110.4 143.06 53.66 5.97E-05 20 -3.00E-09 2.30E-09 8.33E-09 03/18/97 Yes Yes 898 172 1062 C 12 H 5 5 110.45 190.23 54.74 1.34E-04 20 -8.10E-09 -1.50E-09 1.90E-08 03/18/97 Yes Yes 898 172 1062 C 12 H 5 10 110.5 239.87 74.54 7.43E-05 20 -1.06E-09 -1.86E-09 1.24E-08 03/18/97 Yes Yes 898 172 1062 C 12 H 5 15 110.55 273.63 68.54 5.81E-05 20 1.43E-10 -2.30E-09 9.38E-09 03/18/97 Yes Yes 898 172 1062 C 12 H 5 20 110.6 302.53 78.95 4.45E-05 20 4.87E-10 -7.81E-10 7.58E-09 03/18/97 Yes Yes 898 172 1062 C 12 H 5 25 110.65 62.99 70.56 4.91E-05 20 7.86E-10 1.58E-09 8.02E-09 03/18/97 Yes Yes 898 172 1062 C 12 H 5 30 110.7 90.01 49.08 8.51E-05 20 -7.49E-13 6.05E-09 1.11E-08 03/18/97 Yes Yes 898 172 1062 C 12 H 5 35 110.75 322.22 80.41 1.78E-04 20 2.49E-09 -1.97E-09 3.05E-08 03/18/97 Yes Yes 898 172 1062 C 12 H 5 40 110.8 269.49 39.01 8.43E-04 20 -6.16E-10 -7.11E-08 9.20E-08 03/18/97 Yes Yes 898 172 1062 C 12 H 5 45 110.85 263.77 39.17 1.19E-03 20 -1.06E-08 -9.95E-08 1.30E-07 03/18/97 Yes Yes 898 172 1062 C 12 H 5 50 110.9 257.34 51.35 6.91E-04 20 -1.00E-08 -4.57E-08 9.35E-08 03/18/97 Yes Yes 898 172 1062 C 12 H 5 55 110.95 278.04 46.15 5.17E-04 20 5.31E-09 -3.85E-08 6.46E-08 03/18/97 Yes Yes 898 172 1062 C 12 H 5 60 111 277.83 58.73 3.71E-04 20 2.79E-09 -2.07E-08 5.50E-08 03/18/97 Yes Yes 898 172 1062 C 12 H 5 65 111.05 90.82 48.93 1.86E-04 20 -1.85E-10 1.33E-08 2.43E-08 03/18/97 Yes Yes 898 172 1062 C 12 H 5 70 111.1 80.05 61.73 6.52E-05 20 5.66E-10 3.30E-09 9.96E-09 03/18/97 Yes Yes 898 172 1062 C 12 H 5 75 111.15 82.14 81.33 7.02E-05 20 1.53E-10 1.14E-09 1.20E-08 03/18/97 Yes Yes 898 172 1062 C 12 H 5 80 111.2 261.73 59.99 1.55E-04 20 -1.18E-09 -8.30E-09 2.32E-08 03/18/97 Yes Yes 898 172 1062 C 12 H 5 85 111.25 258.72 47.91 2.21E-04 20 -3.07E-09 -1.57E-08 2.84E-08 03/18/97 Yes Yes 898 172 1062 C 12 H 5 90 111.3 264.66 55.44 1.80E-04 20 -1.01E-09 -1.10E-08 2.57E-08 03/18/97 Yes Yes 898 172 1062 C 12 H 5 95 111.35 257.12 51.07 2.13E-04 20 -3.16E-09 -1.41E-08 2.87E-08 03/18/97 Yes Yes 898 172 1062 C 12 H 5 100 111.4 254.54 48.5 2.26E-04 20 -4.23E-09 -1.56E-08 2.93E-08 03/18/97 Yes Yes 898 172 1062 C 12 H 5 105 111.45 260.48 51.13 2.65E-04 20 -2.91E-09 -1.78E-08 3.57E-08 03/18/97 Yes Yes 898 172 1062 C 12 H 5 110 111.5 277.11 62.75 1.84E-04 20 1.11E-09 -9.08E-09 2.84E-08 03/18/97 Yes Yes 898 172 1062 C 12 H 5 115 111.55 252.39 63.17 1.69E-04 20 -2.44E-09 -7.87E-09 2.61E-08 03/18/97 Yes Yes 898 172 1062 C 12 H 5 120 111.6 255.61 53.93 2.17E-04 20 -3.37E-09 -1.34E-08 3.05E-08 03/18/97 Yes Yes 898 172 1062 C 12 H 5 125 111.65 253.72 49.82 2.48E-04 20 -4.76E-09 -1.67E-08 3.28E-08 03/18/97 Yes Yes 898 172 1062 C 12 H 5 130 111.7 261.88 63.09 1.84E-04 20 -1.24E-09 -8.93E-09 2.84E-08 03/18/97 Yes Yes 898 172 1062 C 12 H 5 135 111.75 265.79 58.32 1.81E-04 20 -7.42E-10 -1.03E-08 2.67E-08 03/18/97 Yes Yes 898 172 1062 C 12 H 5 140 111.8 255.78 45.11 1.94E-04 20 -3.56E-09 -1.44E-08 2.38E-08 03/18/97 Yes Yes 898 172 1062 C 12 H 5 145 111.85 256.45 60.01 1.29E-04 20 -1.60E-09 -6.79E-09 1.94E-08 03/18/97 Yes Yes 898 172 1062 C 12 H 5 150 111.9 250.19 75.91 7.33E-05 20 -6.41E-10 -1.82E-09 1.23E-08 03/18/97 Yes Yes 898 172 1062 C 12 H 6 0 111.9 38.96 53.7 5.29E-05 20 2.59E-09 2.14E-09 7.40E-09 03/18/97 Yes Yes 900 172 1062 C 12 H 6 5 111.95 2.44 71.52 1.64E-04 20 5.49E-09 2.39E-10 2.69E-08 03/18/97 Yes Yes 900 172 1062 C 12 H 6 10 112 277.29 63.68 2.36E-04 20 1.41E-09 -1.12E-08 3.66E-08 03/18/97 Yes Yes 900 172 1062 C 12 H 6 15 112.05 267.59 52.14 2.92E-04 20 -8.01E-10 -1.94E-08 4.00E-08 03/18/97 Yes Yes 900 172 1062 C 12 H 6 20 112.1 255.94 54.74 2.66E-04 20 -3.95E-09 -1.61E-08 3.76E-08 03/18/97 Yes Yes 900 172 1062 C 12 H 6 25 112.15 249.57 54.99 2.26E-04 20 -4.81E-09 -1.32E-08 3.21E-08 03/18/97 Yes Yes 900 172 1062 C 12 H 6 30 112.2 242.15 56.57 2.07E-04 20 -5.66E-09 -1.10E-08 3.00E-08 03/18/97 Yes Yes 900 172 1062 C 12 H 6 35 112.25 252.35 50.47 2.15E-04 20 -4.40E-09 -1.41E-08 2.87E-08 03/18/97 Yes Yes 900 172 1062 C 12 H 6 40 112.3 265.67 42 3.03E-04 20 -1.80E-09 -2.44E-08 3.52E-08 03/18/97 Yes Yes 900 172 1062 C 12 H 6 45 112.35 278.11 49.9 2.69E-04 20 2.59E-09 -1.86E-08 3.56E-08 03/18/97 Yes Yes 900 172 1062 C 12 H 6 50 112.4 268.28 66.31 2.99E-04 20 -3.83E-10 -1.30E-08 4.74E-08 03/18/97 Yes Yes 900 172 1062 C 12 H 6 55 112.45 252.52 68.34 5.38E-04 20 -6.32E-09 -2.05E-08 8.66E-08 03/18/97 Yes Yes 900 172 1062 C 12 H 6 60 112.5 251.74 50.54 7.85E-04 20 -1.66E-08 -5.14E-08 1.05E-07 03/18/97 Yes Yes 900 172 1062 C 12 H 6 65 112.55 256.22 44.93 6.24E-04 20 -1.12E-08 -4.66E-08 7.64E-08 03/18/97 Yes Yes 900 172 1062 C 12 H 6 70 112.6 269.18 51.44 5.07E-04 20 -4.82E-10 -3.42E-08 6.87E-08 03/18/97 Yes Yes 900 172 1062 C 12 H 6 75 112.65 263.69 53.14 4.99E-04 20 -3.48E-09 -3.22E-08 6.92E-08 03/18/97 Yes Yes 900 172 1062 C 12 H 6 80 112.7 235.18 61.09 4.54E-04 20 -1.33E-08 -1.95E-08 6.89E-08 03/18/97 Yes Yes 900 172 1062 C 12 H 6 85 112.75 186.05 65.88 3.98E-04 20 -1.71E-08 -1.86E-09 6.29E-08 03/18/97 Yes Yes 900 172 1062 C 12 H 6 90 112.8 275.49 14.93 1.84E-03 20 1.80E-08 -1.91E-07 8.20E-08 03/18/97 Yes Yes 900 172 1062 C 12 H 6 95 112.85 276.48 12.41 4.15E-03 20 4.85E-08 -4.36E-07 1.54E-07 03/18/97 Yes Yes 900 172 1062 C 12 H 6 100 112.9 267.57 30.58 1.61E-03 20 -6.23E-09 -1.50E-07 1.42E-07 03/18/97 Yes Yes 900 172 1062 C 12 H 6 105 112.95 246.17 43.45 8.29E-04 20 -2.58E-08 -5.97E-08 9.89E-08 03/18/97 Yes Yes 900 172 1062 C 12 H 6 110 113 256.98 40.82 5.60E-04 20 -1.01E-08 -4.48E-08 6.35E-08 03/18/97 Yes Yes 900 172 1062 C 12 H 6 115 113.05 62.51 40.01 1.54E-04 20 5.77E-09 1.13E-08 1.72E-08 03/18/97 Yes Yes 900 172 1062 C 12 H 6 120 113.1 59.45 0.26 1.39E-04 20 7.50E-09 1.30E-08 1.08E-10 03/18/97 Yes Yes 900 172 1062 C 12 H 6 125 113.15 58.55 -10.32 8.80E-05 20 4.79E-09 8.01E-09 -2.73E-09 03/18/97 Yes Yes 900 172 1062 C 12 H 6 130 113.2 63.02 -26.25 7.10E-05 20 3.06E-09 6.15E-09 -5.44E-09 03/18/97 Yes Yes 900 172 1062 C 12 H 6 135 113.25 49.4 -21.85 1.10E-04 20 7.04E-09 8.40E-09 -7.09E-09 03/18/97 Yes Yes 900 172 1062 C 12 H 6 140 113.3 45.14 21.69 7.61E-05 20 5.29E-09 5.43E-09 4.87E-09 03/18/97 Yes Yes 900 172 1062 C 12 H 6 145 113.35 223.37 69.33 1.24E-04 20 -3.39E-09 -3.27E-09 2.02E-08 03/18/97 Yes Yes 900 172 1062 C 12 H 6 150 113.4 229.79 44.12 2.20E-04 20 -1.08E-08 -1.31E-08 2.65E-08 03/18/97 Yes Yes 900 172 1062 C 12 H 7 0 113.4 174.15 64.53 1.77E-04 20 -8.05E-09 8.43E-10 2.78E-08 03/18/97 Yes Yes 902 172 1062 C 12 H 7 5 113.45 164.26 55.75 5.77E-04 20 -3.31E-08 9.55E-09 8.26E-08 03/18/97 Yes Yes 902 172 1062 C 12 H 7 10 113.5 226.09 63.11 6.40E-04 20 -2.13E-08 -2.26E-08 9.89E-08 03/18/97 Yes Yes 902 172 1062 C 12 H 7 15 113.55 264.22 47.99 3.86E-04 20 -2.76E-09 -2.79E-08 4.97E-08 03/18/97 Yes Yes 902 172 1062 C 13 H 1 0 113.9 127.33 8.87 1.38E-02 20 -8.80E-07 1.18E-06 3.70E-07 03/18/97 Yes Yes 904 172 1062 C 13 H 1 5 113.95 203.88 72.44 2.86E-02 20 -8.35E-07 -3.78E-07 4.72E-06 03/18/97 Yes Yes 904 172 1062 C 13 H 1 10 114 224.92 66.68 4.49E-02 20 -1.33E-06 -1.36E-06 7.15E-06 03/18/97 Yes Yes 904 172 1062 C 13 H 1 15 114.05 317.11 85.67 3.66E-02 20 2.14E-07 -2.04E-07 6.32E-06 03/18/97 Yes Yes 904 172 1062 C 13 H 1 20 114.1 1.83 64.79 5.74E-02 20 2.59E-06 8.45E-08 9.00E-06 03/18/97 Yes Yes 904 172 1062 C 13 H 1 25 114.15 332.6 71.98 6.10E-02 20 1.78E-06 -9.42E-07 1.01E-05 03/18/97 Yes Yes 904 172 1062 C 13 H 1 30 114.2 325.24 65.04 4.36E-02 20 1.60E-06 -1.14E-06 6.85E-06 03/18/97 Yes Yes 904 172 1062 C 13 H 1 35 114.25 34.44 65.84 2.58E-02 20 9.25E-07 6.49E-07 4.09E-06 03/18/97 Yes Yes 904 172 1062 C 13 H 1 40 114.3 199.36 37.09 1.28E-02 20 -1.02E-06 -3.68E-07 1.34E-06 03/18/97 Yes Yes 904 172 1062 C 13 H 1 45 114.35 227.2 -5.06 1.31E-02 20 -9.37E-07 -1.04E-06 -2.00E-07 03/18/97 Yes Yes 904 172 1062 C 13 H 1 50 114.4 247.62 2.27 9.49E-03 20 -3.83E-07 -9.51E-07 6.52E-08 03/18/97 Yes Yes 904 172 1062 C 13 H 1 55 114.45 225.75 22.27 8.25E-03 20 -5.65E-07 -5.93E-07 5.42E-07 03/18/97 Yes Yes 904 172 1062 C 13 H 1 60 114.5 188.57 -1.62 4.27E-03 20 -4.48E-07 -6.90E-08 -2.10E-08 03/18/97 Yes Yes 904 172 1062 C 13 H 1 65 114.55 199.65 -9.17 7.83E-03 20 -7.72E-07 -2.82E-07 -2.16E-07 03/18/97 Yes Yes 904 172 1062 C 13 H 1 70 114.6 212.4 -0.09 7.83E-03 20 -7.02E-07 -4.55E-07 -2.24E-09 03/18/97 Yes Yes 904 172 1062 C 13 H 1 75 114.65 3.17 54.4 6.16E-03 20 3.80E-07 2.15E-08 8.69E-07 03/18/97 Yes Yes 904 172 1062 C 13 H 1 80 114.7 7.9 46.58 1.87E-02 20 1.35E-06 1.92E-07 2.36E-06 03/18/97 Yes Yes 904 172 1062 C 13 H 1 85 114.75 1.89 58.14 2.24E-02 20 1.26E-06 4.24E-08 3.31E-06 03/18/97 Yes Yes 904 172 1062 C 13 H 1 90 114.8 10.2 66.04 1.80E-02 20 7.63E-07 1.40E-07 2.85E-06 03/18/97 Yes Yes 904 172 1062 C 13 H 1 95 114.85 103.94 76.32 9.23E-03 20 -5.58E-08 2.30E-07 1.56E-06 03/18/97 Yes Yes 904 172 1062 C 13 H 1 100 114.9 179.28 37.95 4.00E-03 20 -3.34E-07 4.30E-09 4.26E-07 03/18/97 Yes Yes 904 172 1062 C 13 H 1 105 114.95 305.91 54.04 5.12E-03 20 1.87E-07 -2.64E-07 7.19E-07 03/18/97 Yes Yes 904 172 1062 C 13 H 1 110 115 333.97 47.54 1.64E-02 20 1.06E-06 -5.28E-07 2.10E-06 03/18/97 Yes Yes 904 172 1062 C 13 H 1 115 115.05 347.9 54.39 2.26E-02 20 1.37E-06 -2.99E-07 3.19E-06 03/18/97 Yes Yes 904 172 1062 C 13 H 1 120 115.1 351.3 54.64 2.36E-02 20 1.43E-06 -2.24E-07 3.34E-06 03/18/97 Yes Yes 904 172 1062 C 13 H 1 125 115.15 358.05 61.88 2.01E-02 20 1.00E-06 -3.49E-08 3.07E-06 03/18/97 Yes Yes 904 172 1062 C 13 H 1 130 115.2 350.96 64.68 1.64E-02 20 7.34E-07 -1.19E-07 2.57E-06 03/18/97 Yes Yes 904 172 1062 C 13 H 1 135 115.25 358.27 58.94 1.59E-02 20 8.70E-07 -2.68E-08 2.36E-06 03/18/97 Yes Yes 904 172 1062 C 13 H 1 140 115.3 336.81 68.39 1.15E-02 20 4.14E-07 -1.82E-07 1.86E-06 03/18/97 Yes Yes 904 172 1062 C 13 H 1 145 115.35 255.2 56.19 8.93E-03 20 -1.35E-07 -5.21E-07 1.29E-06 03/18/97 Yes Yes 904 172 1062 C 13 H 2 0 115.4 302.42 -0.01 9.93E-04 20 5.64E-08 -9.09E-08 -2.66E-11 03/18/97 Yes Yes 906 172 1062 C 13 H 2 5 115.45 242.96 -6.84 1.48E-02 20 -7.09E-07 -1.42E-06 -3.06E-07 03/18/97 Yes Yes 906 172 1062 C 13 H 2 10 115.5 232.42 -15.61 3.11E-02 20 -1.94E-06 -2.58E-06 -1.45E-06 03/18/97 Yes Yes 906 172 1062 C 13 H 2 15 115.55 229.27 -14.68 3.62E-02 20 -2.43E-06 -2.88E-06 -1.59E-06 03/18/97 Yes Yes 906 172 1062 C 13 H 2 20 115.6 222.63 -10.48 2.31E-02 20 -1.77E-06 -1.67E-06 -7.28E-07 03/18/97 Yes Yes 906 172 1062 C 13 H 2 25 115.65 215.23 8.81 8.50E-03 20 -7.28E-07 -5.26E-07 2.26E-07 03/18/97 Yes Yes 906 172 1062 C 13 H 2 30 115.7 217.24 39.09 6.71E-03 20 -4.40E-07 -3.42E-07 7.34E-07 03/18/97 Yes Yes 906 172 1062 C 13 H 2 35 115.75 204.43 41.15 8.12E-03 20 -5.90E-07 -2.74E-07 9.26E-07 03/18/97 Yes Yes 906 172 1062 C 13 H 2 40 115.8 242.43 72.61 5.94E-03 20 -8.71E-08 -1.71E-07 9.82E-07 03/18/97 Yes Yes 906 172 1062 C 13 H 2 45 115.85 340.19 81.4 5.93E-03 20 8.85E-08 -3.26E-08 1.02E-06 03/18/97 Yes Yes 906 172 1062 C 13 H 2 50 115.9 358.37 59.65 7.41E-03 20 3.97E-07 -1.16E-08 1.11E-06 03/18/97 Yes Yes 906 172 1062 C 13 H 2 55 115.95 328.06 68.74 7.61E-03 20 2.48E-07 -1.58E-07 1.23E-06 03/18/97 Yes Yes 906 172 1062 C 13 H 2 60 116 261.2 59.36 7.66E-03 20 -6.33E-08 -4.18E-07 1.14E-06 03/18/97 Yes Yes 906 172 1062 C 13 H 2 65 116.05 281.88 66.88 8.39E-03 20 7.19E-08 -3.49E-07 1.34E-06 03/18/97 Yes Yes 906 172 1062 C 13 H 2 70 116.1 243.27 52.89 8.40E-03 20 -2.42E-07 -4.91E-07 1.16E-06 03/18/97 Yes Yes 906 172 1062 C 13 H 2 75 116.15 236.7 16.42 1.52E-02 20 -8.48E-07 -1.32E-06 7.43E-07 03/18/97 Yes Yes 906 172 1062 C 13 H 2 80 116.2 254.54 23.6 1.46E-02 20 -3.78E-07 -1.40E-06 1.01E-06 03/18/97 Yes Yes 906 172 1062 C 13 H 2 85 116.25 252.32 41.84 8.32E-03 20 -2.00E-07 -6.40E-07 9.62E-07 03/18/97 Yes Yes 906 172 1062 C 13 H 2 90 116.3 197.26 30.16 2.82E-03 20 -2.47E-07 -7.84E-08 2.45E-07 03/18/97 Yes Yes 906 172 1062 C 13 H 2 95 116.35 229.47 3.84 6.64E-03 20 -4.57E-07 -5.46E-07 7.71E-08 03/18/97 Yes Yes 906 172 1062 C 13 H 2 100 116.4 256.21 24.23 1.02E-02 20 -2.34E-07 -9.75E-07 7.22E-07 03/18/97 Yes Yes 906 172 1062 C 13 H 2 105 116.45 323.96 50.71 1.65E-02 20 8.95E-07 -6.66E-07 2.21E-06 03/18/97 Yes Yes 906 172 1062 C 13 H 2 110 116.5 3.4 70.74 1.77E-02 20 6.19E-07 3.76E-08 2.90E-06 03/18/97 Yes Yes 906 172 1062 C 13 H 2 115 116.55 216.56 79.99 8.55E-03 20 -1.27E-07 -9.61E-08 1.46E-06 03/18/97 Yes Yes 906 172 1062 C 13 H 2 120 116.6 328.17 58.38 1.28E-02 20 6.06E-07 -3.85E-07 1.90E-06 03/18/97 Yes Yes 906 172 1062 C 13 H 2 125 116.65 352.78 62.66 1.72E-02 20 8.30E-07 -1.07E-07 2.64E-06 03/18/97 Yes Yes 906 172 1062 C 13 H 2 130 116.7 2.9 60.05 2.06E-02 20 1.09E-06 5.64E-08 3.10E-06 03/18/97 Yes Yes 906 172 1062 C 13 H 2 135 116.75 13.63 61.42 2.09E-02 20 1.03E-06 2.56E-07 3.19E-06 03/18/97 Yes Yes 906 172 1062 C 13 H 2 140 116.8 3.98 58.34 2.02E-02 20 1.12E-06 7.98E-08 2.98E-06 03/18/97 Yes Yes 906 172 1062 C 13 H 2 145 116.85 359.13 55.3 2.05E-02 20 1.24E-06 -1.92E-08 2.93E-06 03/18/97 Yes Yes 906 172 1062 C 13 H 2 150 116.9 5.97 70.95 1.30E-02 20 4.47E-07 4.78E-08 2.13E-06 03/18/97 Yes Yes 906 172 1062 C 13 H 3 0 116.9 11.38 40.8 7.77E-03 20 6.12E-07 1.26E-07 8.80E-07 03/18/97 Yes Yes 908 172 1062 C 13 H 3 5 116.95 5.97 52.78 1.77E-02 20 1.13E-06 1.21E-07 2.45E-06 03/18/97 Yes Yes 908 172 1062 C 13 H 3 10 117 357.73 67.13 1.58E-02 20 6.51E-07 -2.64E-08 2.53E-06 03/18/97 Yes Yes 908 172 1062 C 13 H 3 15 117.05 358.4 68.65 1.28E-02 20 4.96E-07 -1.41E-08 2.07E-06 03/18/97 Yes Yes 908 172 1062 C 13 H 3 20 117.1 355.82 65.28 1.14E-02 20 5.04E-07 -3.76E-08 1.80E-06 03/18/97 Yes Yes 908 172 1062 C 13 H 3 25 117.15 359.95 58.96 9.79E-03 20 5.36E-07 -4.84E-10 1.45E-06 03/18/97 Yes Yes 908 172 1062 C 13 H 3 30 117.2 353.35 52.42 1.02E-02 20 6.52E-07 -7.78E-08 1.39E-06 03/18/97 Yes Yes 908 172 1062 C 13 H 3 35 117.25 322.78 68.28 8.63E-03 20 2.70E-07 -2.10E-07 1.39E-06 03/18/97 Yes Yes 908 172 1062 C 13 H 3 40 117.3 189.12 61.35 3.38E-03 20 -1.70E-07 -2.79E-08 5.14E-07 03/18/97 Yes Yes 908 172 1062 C 13 H 3 45 117.35 129.31 22.12 1.23E-03 20 -7.68E-08 9.59E-08 8.05E-08 03/18/97 Yes Yes 908 172 1062 C 13 H 3 50 117.4 152.73 17.41 9.97E-04 20 -8.97E-08 4.73E-08 5.17E-08 03/18/97 Yes Yes 908 172 1062 C 13 H 3 55 117.45 263.76 24.57 3.87E-03 20 -4.06E-08 -3.79E-07 2.79E-07 03/18/97 Yes Yes 908 172 1062 C 13 H 3 60 117.5 281.45 29.69 9.74E-03 20 1.78E-07 -9.00E-07 8.37E-07 03/18/97 Yes Yes 908 172 1062 C 13 H 3 65 117.55 278.03 36.53 1.27E-02 20 1.52E-07 -1.10E-06 1.31E-06 03/18/97 Yes Yes 908 172 1062 C 13 H 3 70 117.6 262.82 41.37 1.18E-02 20 -1.18E-07 -9.55E-07 1.36E-06 03/18/97 Yes Yes 908 172 1062 C 13 H 3 75 117.65 247.73 48.27 8.04E-03 20 -2.15E-07 -5.37E-07 1.04E-06 03/18/97 Yes Yes 908 172 1062 C 13 H 3 80 117.7 263.32 46.76 6.99E-03 20 -5.91E-08 -5.16E-07 8.83E-07 03/18/97 Yes Yes 908 172 1062 C 13 H 3 85 117.75 277.5 56.88 7.18E-03 20 5.43E-08 -4.22E-07 1.04E-06 03/18/97 Yes Yes 908 172 1062 C 13 H 3 90 117.8 281 61.89 8.15E-03 20 7.78E-08 -4.09E-07 1.25E-06 03/18/97 Yes Yes 908 172 1062 C 13 H 3 95 117.85 233.41 59.59 8.62E-03 20 -2.76E-07 -3.80E-07 1.29E-06 03/18/97 Yes Yes 908 172 1062 C 13 H 3 100 117.9 226.93 51.55 5.90E-03 20 -2.66E-07 -2.91E-07 8.01E-07 03/18/97 Yes Yes 908 172 1062 C 13 H 3 105 117.95 226.6 45.78 3.65E-03 20 -1.85E-07 -2.01E-07 4.53E-07 03/18/97 Yes Yes 908 172 1062 C 13 H 3 110 118 198.05 14.65 2.64E-03 20 -2.57E-07 -8.58E-08 1.16E-07 03/18/97 Yes Yes 908 172 1062 C 13 H 3 115 118.05 238.04 24.41 1.99E-03 20 -1.02E-07 -1.66E-07 1.42E-07 03/18/97 Yes Yes 908 172 1062 C 13 H 3 120 118.1 255.25 26.98 2.63E-03 20 -6.32E-08 -2.46E-07 2.07E-07 03/18/97 Yes Yes 908 172 1062 C 13 H 3 125 118.15 253.6 20.17 4.74E-03 20 -1.33E-07 -4.63E-07 2.83E-07 03/18/97 Yes Yes 908 172 1062 C 13 H 3 130 118.2 260.25 28.27 4.37E-03 20 -6.91E-08 -4.11E-07 3.59E-07 03/18/97 Yes Yes 908 172 1062 C 13 H 3 135 118.25 303.22 57.69 1.96E-03 20 6.08E-08 -9.49E-08 2.87E-07 03/18/97 Yes Yes 908 172 1062 C 13 H 3 140 118.3 28.25 53.55 1.51E-03 20 8.39E-08 4.61E-08 2.11E-07 03/18/97 Yes Yes 908 172 1062 C 13 H 3 145 118.35 52.88 38.99 1.68E-03 20 8.34E-08 1.13E-07 1.83E-07 03/18/97 Yes Yes 908 172 1062 C 13 H 3 150 118.4 64.59 49.03 1.17E-03 20 3.49E-08 7.52E-08 1.53E-07 03/18/97 Yes Yes 908 172 1062 C 13 H 4 0 118.4 322.23 44.4 1.12E-03 20 6.73E-08 -5.34E-08 1.36E-07 03/18/97 Yes Yes 910 172 1062 C 13 H 4 5 118.45 343.68 46.54 3.13E-03 20 2.19E-07 -6.57E-08 3.94E-07 03/18/97 Yes Yes 910 172 1062 C 13 H 4 10 118.5 36.38 54.02 2.83E-03 20 1.42E-07 1.07E-07 3.97E-07 03/18/97 Yes Yes 910 172 1062 C 13 H 4 15 118.55 149.69 53.6 1.96E-03 20 -1.06E-07 6.35E-08 2.73E-07 03/18/97 Yes Yes 910 172 1062 C 13 H 4 20 118.6 195.56 42.46 3.47E-03 20 -2.62E-07 -7.45E-08 4.06E-07 03/18/97 Yes Yes 910 172 1062 C 13 H 4 25 118.65 217.53 50.52 5.35E-03 20 -2.86E-07 -2.25E-07 7.15E-07 03/18/97 Yes Yes 910 172 1062 C 13 H 4 30 118.7 276.55 40.1 7.07E-03 20 6.54E-08 -5.83E-07 7.90E-07 03/18/97 Yes Yes 910 172 1062 C 13 H 4 35 118.75 294.51 36.3 7.84E-03 20 2.78E-07 -6.23E-07 8.04E-07 03/18/97 Yes Yes 910 172 1062 C 13 H 4 40 118.8 339.31 47.78 5.56E-03 20 3.71E-07 -1.43E-07 7.14E-07 03/18/97 Yes Yes 910 172 1062 C 13 H 4 45 118.85 24.19 36.47 5.14E-03 20 4.00E-07 1.84E-07 5.29E-07 03/18/97 Yes Yes 910 172 1062 C 13 H 4 50 118.9 11.38 53.7 3.59E-03 20 2.21E-07 4.55E-08 5.02E-07 03/18/97 Yes Yes 910 172 1062 C 13 H 4 55 118.95 31.98 74.97 2.40E-03 20 5.60E-08 3.57E-08 4.02E-07 03/18/97 Yes Yes 910 172 1062 C 13 H 4 60 119 31.5 10.01 9.76E-03 20 8.70E-07 5.45E-07 2.94E-07 03/18/97 Yes Yes 910 172 1062 C 13 H 4 65 119.05 31.13 10.24 1.71E-02 20 1.53E-06 9.42E-07 5.26E-07 03/18/97 Yes Yes 910 172 1062 C 13 H 4 70 119.1 34.47 15 1.09E-02 20 9.19E-07 6.45E-07 4.88E-07 03/18/97 Yes Yes 910 172 1062 C 13 H 4 75 119.15 45.8 38.85 2.98E-03 20 1.72E-07 1.80E-07 3.24E-07 03/18/97 Yes Yes 910 172 1062 C 13 H 4 80 119.2 263.9 29.6 3.41E-03 20 -3.34E-08 -3.20E-07 2.92E-07 03/18/97 Yes Yes 910 172 1062 C 13 H 4 85 119.25 273.5 14.35 5.02E-03 20 3.15E-08 -5.26E-07 2.16E-07 03/18/97 Yes Yes 910 172 1062 C 13 H 4 90 119.3 276.57 4.86 4.43E-03 20 5.36E-08 -4.76E-07 6.51E-08 03/18/97 Yes Yes 910 172 1062 C 13 H 4 95 119.35 284.17 -21.33 1.76E-03 20 4.27E-08 -1.73E-07 -1.11E-07 03/18/97 Yes Yes 910 172 1062 C 13 H 4 100 119.4 224.9 -0.67 1.37E-03 20 -1.03E-07 -1.05E-07 -2.78E-09 03/18/97 Yes Yes 910 172 1062 C 13 H 4 105 119.45 205.3 52.21 2.43E-03 20 -1.43E-07 -6.90E-08 3.33E-07 03/18/97 Yes Yes 910 172 1062 C 13 H 4 110 119.5 24.37 68.25 4.71E-03 20 1.69E-07 7.81E-08 7.58E-07 03/18/97 Yes Yes 910 172 1062 C 13 H 4 115 119.55 36.44 56.93 5.24E-03 20 2.44E-07 1.84E-07 7.61E-07 03/18/97 Yes Yes 910 172 1062 C 13 H 4 120 119.6 245.32 68.41 4.24E-03 20 -6.92E-08 -1.54E-07 6.84E-07 03/18/97 Yes Yes 910 172 1062 C 13 H 4 125 119.65 289.14 79.13 2.54E-03 20 1.66E-08 -4.90E-08 4.32E-07 03/18/97 Yes Yes 910 172 1062 C 13 H 4 130 119.7 0.78 38.67 2.14E-03 20 1.78E-07 2.46E-09 2.32E-07 03/18/97 Yes Yes 910 172 1062 C 13 H 4 135 119.75 15.98 19.27 3.54E-03 20 3.41E-07 9.99E-08 2.03E-07 03/18/97 Yes Yes 910 172 1062 C 13 H 4 140 119.8 6.39 30.85 3.72E-03 20 3.37E-07 3.86E-08 3.31E-07 03/18/97 Yes Yes 910 172 1062 C 13 H 4 145 119.85 345.07 57.68 1.03E-03 20 5.64E-08 -1.54E-08 1.51E-07 03/18/97 Yes Yes 910 172 1062 C 13 H 4 150 119.9 41.72 7.74 7.10E-04 20 5.57E-08 5.08E-08 1.66E-08 03/18/97 Yes Yes 910 172 1062 C 13 H 5 0 119.9 28.92 42.39 9.91E-04 20 6.80E-08 3.84E-08 1.16E-07 03/18/97 Yes Yes 912 172 1062 C 13 H 5 5 119.95 18.9 38.55 2.25E-03 20 1.76E-07 6.17E-08 2.43E-07 03/18/97 Yes Yes 912 172 1062 C 13 H 5 10 120 23.89 37.79 1.85E-03 20 1.42E-07 6.43E-08 1.97E-07 03/18/97 Yes Yes 912 172 1062 C 13 H 5 15 120.05 25.85 59.09 1.39E-03 20 6.81E-08 3.37E-08 2.07E-07 03/18/97 Yes Yes 912 172 1062 C 13 H 5 20 120.1 349.29 69.25 1.27E-03 20 4.68E-08 -9.04E-09 2.05E-07 03/18/97 Yes Yes 912 172 1062 C 13 H 5 25 120.15 7.83 53.98 8.57E-04 20 5.30E-08 7.45E-09 1.20E-07 03/18/97 Yes Yes 912 172 1062 C 13 H 5 30 120.2 36.94 28.1 9.23E-04 20 6.91E-08 5.31E-08 7.54E-08 03/18/97 Yes Yes 912 172 1062 C 13 H 5 35 120.25 15.88 12.7 1.14E-03 20 1.13E-07 3.29E-08 4.34E-08 03/18/97 Yes Yes 912 172 1062 C 13 H 5 40 120.3 261.53 4.65 8.04E-04 20 -1.25E-08 -8.59E-08 1.13E-08 03/18/97 Yes Yes 912 172 1062 C 13 H 5 45 120.35 247.97 -14.06 2.53E-03 20 -9.75E-08 -2.46E-07 -1.06E-07 03/18/97 Yes Yes 912 172 1062 C 13 H 5 50 120.4 329.7 13.1 3.18E-03 20 2.84E-07 -1.69E-07 1.25E-07 03/18/97 Yes Yes 912 172 1062 C 13 H 5 55 120.45 185.45 8.64 2.01E-03 20 -2.10E-07 -2.05E-08 5.23E-08 03/18/97 Yes Yes 912 172 1062 C 13 H 5 60 120.5 202.82 -12.26 4.95E-03 20 -4.73E-07 -2.03E-07 -1.82E-07 03/18/97 Yes Yes 912 172 1062 C 13 H 5 65 120.55 216.68 -1.28 6.33E-03 20 -5.38E-07 -4.10E-07 -2.44E-08 03/18/97 Yes Yes 912 172 1062 C 13 H 5 70 120.6 212.15 2.74 3.99E-03 20 -3.58E-07 -2.30E-07 3.31E-08 03/18/97 Yes Yes 912 172 1062 C 13 H 5 75 120.65 233.94 -9.37 2.22E-03 20 -1.37E-07 -1.92E-07 -6.28E-08 03/18/97 Yes Yes 912 172 1062 C 13 H 5 80 120.7 216.66 -12.09 2.91E-03 20 -2.42E-07 -1.84E-07 -1.06E-07 03/18/97 Yes Yes 912 172 1062 C 13 H 5 85 120.75 182.84 -32.59 1.09E-03 20 -9.70E-08 -4.93E-09 -1.02E-07 03/18/97 Yes Yes 912 172 1062 C 13 H 5 90 120.8 198.88 -12.41 7.15E-04 20 -7.01E-08 -2.45E-08 -2.66E-08 03/18/97 Yes Yes 912 172 1062 C 13 H 5 95 120.85 255.84 12.62 1.32E-03 20 -3.33E-08 -1.35E-07 4.99E-08 03/18/97 Yes Yes 912 172 1062 C 13 H 5 100 120.9 262.58 -6.09 1.70E-03 20 -2.31E-08 -1.82E-07 -3.12E-08 03/18/97 Yes Yes 912 172 1062 C 13 H 5 105 120.95 271 -36.51 2.35E-03 20 3.51E-09 -2.05E-07 -2.42E-07 03/18/97 Yes Yes 912 172 1062 C 13 H 5 110 121 204.28 -23.23 2.25E-03 20 -2.00E-07 -9.21E-08 -1.54E-07 03/18/97 Yes Yes 912 172 1062 C 13 H 5 115 121.05 186.92 -10.47 1.56E-02 20 -1.62E-06 -2.00E-07 -4.92E-07 03/18/97 Yes Yes 912 172 1062 C 13 H 5 120 121.1 179.01 -9.74 2.42E-02 20 -2.53E-06 4.45E-08 -7.09E-07 03/18/97 Yes Yes 912 172 1062 C 13 H 5 125 121.15 177.62 -10.34 1.43E-02 20 -1.49E-06 6.36E-08 -4.46E-07 03/18/97 Yes Yes 912 172 1062 C 13 H 5 130 121.2 210.71 -25.16 2.52E-03 20 -2.08E-07 -1.26E-07 -1.86E-07 03/18/97 Yes Yes 912 172 1062 C 13 H 5 135 121.25 258.73 -36.85 1.04E-03 20 -1.73E-08 -8.86E-08 -1.08E-07 03/18/97 Yes Yes 912 172 1062 C 13 H 5 140 121.3 189.56 -27.22 1.45E-03 20 -1.35E-07 -2.33E-08 -1.15E-07 03/18/97 Yes Yes 912 172 1062 C 13 H 5 145 121.35 178.45 -17.08 3.49E-03 20 -3.53E-07 9.76E-09 -1.77E-07 03/18/97 Yes Yes 912 172 1062 C 13 H 5 150 121.4 182.64 -20.34 2.68E-03 20 -2.66E-07 -1.26E-08 -1.62E-07 03/18/97 Yes Yes 912 172 1062 C 13 H 6 0 121.4 175.58 -19.33 3.68E-03 20 -3.67E-07 2.90E-08 -2.11E-07 03/18/97 Yes Yes 914 172 1062 C 13 H 6 5 121.45 188.31 -8.59 1.72E-02 20 -1.78E-06 -2.66E-07 -4.45E-07 03/18/97 Yes Yes 914 172 1062 C 13 H 6 10 121.5 196.18 -7.45 2.03E-02 20 -2.05E-06 -6.08E-07 -4.56E-07 03/18/97 Yes Yes 914 172 1062 C 13 H 6 15 121.55 198.12 -6.52 2.07E-02 20 -2.08E-06 -6.95E-07 -4.08E-07 03/18/97 Yes Yes 914 172 1062 C 13 H 6 20 121.6 196.89 -4.41 1.73E-02 20 -1.75E-06 -5.44E-07 -2.31E-07 03/18/97 Yes Yes 914 172 1062 C 13 H 6 25 121.65 202.85 -10.04 2.67E-03 20 -2.57E-07 -1.11E-07 -8.06E-08 03/18/97 Yes Yes 914 172 1062 C 13 H 6 30 121.7 6.03 10.85 2.24E-03 20 2.32E-07 2.50E-08 7.30E-08 03/18/97 Yes Yes 914 172 1062 C 13 H 6 35 121.75 201.49 -8.64 1.92E-03 20 -1.87E-07 -7.54E-08 -5.00E-08 03/18/97 Yes Yes 914 172 1062 C 13 H 6 40 121.8 200.06 -15.88 4.77E-03 20 -4.57E-07 -1.71E-07 -2.26E-07 03/18/97 Yes Yes 914 172 1062 C 13 H 6 45 121.85 191.75 2.71 2.47E-03 20 -2.57E-07 -5.46E-08 2.02E-08 03/18/97 Yes Yes 914 172 1062 C 13 H 6 50 121.9 298.23 43.98 1.42E-03 20 5.13E-08 -9.77E-08 1.71E-07 03/18/97 Yes Yes 914 172 1062 C 13 H 6 55 121.95 356 36.78 1.61E-03 20 1.36E-07 -9.72E-09 1.67E-07 03/18/97 Yes Yes 914 172 1062 C 13 H 6 60 122 353.2 51.24 8.10E-04 20 5.34E-08 -6.51E-09 1.09E-07 03/18/97 Yes Yes 914 172 1062 C 13 H 6 65 122.05 298.31 73.31 4.16E-04 20 6.01E-09 -1.14E-08 6.90E-08 03/18/97 Yes Yes 914 172 1062 C 13 H 6 70 122.1 213.05 45.61 4.59E-04 20 -2.85E-08 -1.90E-08 5.68E-08 03/18/97 Yes Yes 914 172 1062 C 13 H 6 75 122.15 248.69 38.17 5.10E-04 20 -1.55E-08 -4.05E-08 5.46E-08 03/18/97 Yes Yes 914 172 1062 C 13 H 6 80 122.2 305.25 38.69 1.04E-03 20 4.96E-08 -7.18E-08 1.13E-07 03/18/97 Yes Yes 914 172 1062 C 13 H 6 85 122.25 267.56 45.11 1.26E-03 20 -4.01E-09 -9.61E-08 1.54E-07 03/18/97 Yes Yes 914 172 1062 C 13 H 6 90 122.3 209.71 32.16 1.35E-03 20 -1.06E-07 -6.16E-08 1.25E-07 03/18/97 Yes Yes 914 172 1062 C 13 H 6 95 122.35 354.74 82.03 1.53E-03 20 2.24E-08 -2.10E-09 2.62E-07 03/18/97 Yes Yes 914 172 1062 C 13 H 6 100 122.4 351.11 76.71 6.61E-03 20 1.59E-07 -2.54E-08 1.12E-06 03/18/97 Yes Yes 914 172 1062 C 13 H 6 105 122.45 197.23 67.59 8.30E-03 20 -3.20E-07 -1.02E-07 1.33E-06 03/18/97 Yes Yes 914 172 1062 C 13 H 6 110 122.5 216.07 67.59 4.54E-03 20 -1.48E-07 -1.11E-07 7.28E-07 03/18/97 Yes Yes 914 172 1062 C 13 H 6 115 122.55 339.78 65.35 3.01E-03 20 1.25E-07 -4.71E-08 4.75E-07 03/18/97 Yes Yes 914 172 1062 C 13 H 6 120 122.6 309.24 60.55 4.29E-03 20 1.41E-07 -1.77E-07 6.47E-07 03/18/97 Yes Yes 914 172 1062 C 14 H 1 0 123.4 190.05 75.19 2.67E-02 20 -7.12E-07 -1.29E-07 4.47E-06 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 5 123.45 174.08 67.03 3.21E-02 20 -1.32E-06 1.40E-07 5.12E-06 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 10 123.5 230.64 81.19 1.55E-02 20 -1.59E-07 -1.99E-07 2.65E-06 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 15 123.55 270.57 29.13 5.15E-03 20 4.78E-09 -4.88E-07 4.34E-07 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 20 123.6 274.98 -4.73 5.75E-03 20 5.28E-08 -6.19E-07 -8.21E-08 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 25 123.65 266.42 -3.13 6.84E-03 20 -4.53E-08 -7.40E-07 -6.48E-08 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 30 123.7 269.33 -4.04 1.13E-02 20 -1.41E-08 -1.22E-06 -1.38E-07 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 35 123.75 267.98 -0.65 1.49E-02 20 -5.56E-08 -1.61E-06 -2.90E-08 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 40 123.8 272.58 8.31 1.15E-02 20 5.42E-08 -1.23E-06 2.88E-07 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 45 123.85 279.94 6.22 1.32E-02 20 2.40E-07 -1.40E-06 2.48E-07 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 50 123.9 290.53 9.55 1.62E-02 20 5.93E-07 -1.62E-06 4.64E-07 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 55 123.95 282.78 10.71 2.15E-02 20 4.96E-07 -2.24E-06 6.94E-07 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 60 124 276.58 10.59 1.94E-02 20 2.32E-07 -2.05E-06 6.18E-07 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 65 124.05 289.68 13.42 5.68E-03 20 1.97E-07 -5.64E-07 2.29E-07 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 70 124.1 271.02 -4.31 9.54E-03 20 1.79E-08 -1.03E-06 -1.24E-07 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 75 124.15 266.09 -10.12 2.18E-02 20 -1.55E-07 -2.32E-06 -6.65E-07 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 80 124.2 269.94 -12.64 2.46E-02 20 -2.67E-09 -2.61E-06 -9.35E-07 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 85 124.25 264.16 -14.39 2.14E-02 20 -2.24E-07 -2.24E-06 -9.22E-07 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 90 124.3 256.17 -13.39 2.88E-02 20 -7.09E-07 -2.95E-06 -1.15E-06 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 95 124.35 260.83 -9.66 2.90E-02 20 -4.83E-07 -3.06E-06 -8.44E-07 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 100 124.4 259.98 -5.8 2.64E-02 20 -4.84E-07 -2.80E-06 -4.62E-07 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 105 124.45 268.27 -3.66 1.95E-02 20 -6.26E-08 -2.11E-06 -2.16E-07 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 110 124.5 265.71 -5.7 2.99E-02 20 -2.36E-07 -3.22E-06 -5.15E-07 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 115 124.55 264.52 -4.52 2.50E-02 20 -2.53E-07 -2.69E-06 -3.42E-07 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 120 124.6 283.28 4.34 1.32E-02 20 3.20E-07 -1.39E-06 1.73E-07 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 125 124.65 298.05 24.3 1.00E-02 20 4.56E-07 -8.75E-07 7.15E-07 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 130 124.7 288.13 28.58 6.72E-03 20 1.95E-07 -6.09E-07 5.58E-07 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 135 124.75 310.97 22.75 7.14E-03 20 4.58E-07 -5.39E-07 4.79E-07 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 140 124.8 333.33 29.33 9.71E-03 20 8.02E-07 -4.12E-07 8.24E-07 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 145 124.85 343.56 42.79 8.48E-03 20 6.33E-07 -1.91E-07 9.99E-07 03/19/97 Yes Yes 1680 172 1062 C 14 H 1 150 124.9 335.43 63.04 5.43E-03 20 2.37E-07 -1.11E-07 8.39E-07 03/19/97 Yes Yes 1680