IODP Proceedings, Volume 320/321 Site U1331, Table T25. Paleomagnetic data from archive-half sections from Hole U1331C (20 mT AF demagnetization). Note: Time = since 1 January 1904. Exp Site Hole Core Type Section Half Offset (m) Depth-CSFA (m) Demag (mT) Declination (deg) Inclination (deg) Intensity (A/m) Time (s) Core Mean Declination (deg) Declination Geographical Coordinates (0 to 360 deg) Declination Geographical Coordinates (-90 to 270 deg) 320 1331 C 1 H 1 A 0.15 0.15 20 78.1 26.7 2.586E-03 3320522524.96837 45.28 32.8 32.8 320 1331 C 1 H 1 A 0.20 0.20 20 65.7 32.9 2.234E-03 3320522530.29650 45.28 20.4 20.4 320 1331 C 1 H 1 A 0.25 0.25 20 61.5 33.0 2.360E-03 3320522535.62462 45.28 16.2 16.2 320 1331 C 1 H 1 A 0.30 0.30 20 52.5 32.7 2.458E-03 3320522540.95275 45.28 7.2 7.2 320 1331 C 1 H 1 A 0.35 0.35 20 53.3 34.5 2.391E-03 3320522546.28087 45.28 8.0 8.0 320 1331 C 1 H 1 A 0.40 0.40 20 46.3 35.6 2.228E-03 3320522551.59337 45.28 1.0 1.0 320 1331 C 1 H 1 A 0.45 0.45 20 33.7 42.1 1.743E-03 3320522556.92150 45.28 348.4 -11.6 320 1331 C 1 H 1 A 0.50 0.50 20 320.0 54.7 1.322E-03 3320522562.24962 45.28 274.7 -85.3 320 1331 C 1 H 1 A 0.55 0.55 20 218.6 79.7 1.047E-03 3320522567.56212 45.28 173.3 173.3 320 1331 C 1 H 1 A 0.60 0.60 20 231.3 64.7 1.134E-03 3320522572.89025 45.28 186.0 186.0 320 1331 C 1 H 1 A 0.65 0.65 20 250.8 33.3 1.884E-03 3320522578.20275 45.28 205.5 205.5 320 1331 C 1 H 1 A 0.70 0.70 20 232.0 46.6 1.400E-03 3320522583.53087 45.28 186.7 186.7 320 1331 C 1 H 1 A 0.75 0.75 20 230.7 48.8 1.234E-03 3320522588.85900 45.28 185.4 185.4 320 1331 C 1 H 1 A 0.80 0.80 20 200.8 26.1 1.756E-03 3320522594.18712 45.28 155.5 155.5 320 1331 C 1 H 1 A 0.85 0.85 20 214.1 31.8 1.472E-03 3320522599.51525 45.28 168.8 168.8 320 1331 C 1 H 1 A 0.90 0.90 20 214.5 22.4 1.844E-03 3320522604.82775 45.28 169.2 169.2 320 1331 C 1 H 1 A 0.95 0.95 20 215.5 19.7 1.944E-03 3320522610.15587 45.28 170.2 170.2 320 1331 C 1 H 1 A 1.00 1.00 20 213.2 21.6 1.825E-03 3320522615.48400 45.28 167.9 167.9 320 1331 C 1 H 1 A 1.05 1.05 20 208.6 23.8 1.683E-03 3320522620.81212 45.28 163.3 163.3 320 1331 C 1 H 1 A 1.10 1.10 20 204.5 25.5 1.581E-03 3320522626.14025 45.28 159.2 159.2 320 1331 C 1 H 1 A 1.15 1.15 20 204.1 22.7 1.744E-03 3320522631.45275 45.28 158.8 158.8 320 1331 C 1 H 1 A 1.20 1.20 20 202.6 18.5 2.058E-03 3320522636.78087 45.28 157.3 157.3 320 1331 C 1 H 1 A 1.25 1.25 20 204.3 16.0 2.269E-03 3320522642.10900 45.28 159.0 159.0 320 1331 C 1 H 1 A 1.30 1.30 20 205.9 15.3 2.563E-03 3320522647.42150 45.28 160.6 160.6 320 1331 C 1 H 1 A 1.35 1.35 20 202.0 15.5 2.513E-03 3320522652.74962 45.28 156.7 156.7 320 1331 C 1 H 1 A 1.40 1.40 20 194.2 14.4 2.382E-03 3320522658.07775 45.28 148.9 148.9 320 1331 C 1 H 2 A 0.10 1.60 20 191.9 19.9 2.341E-03 3320525834.12462 45.28 146.6 146.6 320 1331 C 1 H 2 A 0.15 1.65 20 195.6 15.5 2.101E-03 3320525839.45275 45.28 150.3 150.3 320 1331 C 1 H 2 A 0.20 1.70 20 185.3 17.0 1.883E-03 3320525844.76525 45.28 140.0 140.0 320 1331 C 1 H 2 A 0.25 1.75 20 172.4 15.0 1.896E-03 3320525850.09337 45.28 127.1 127.1 320 1331 C 1 H 2 A 0.30 1.80 20 167.7 10.5 2.000E-03 3320525855.42150 45.28 122.4 122.4 320 1331 C 1 H 2 A 0.35 1.85 20 177.6 5.6 2.140E-03 3320525860.74962 45.28 132.3 132.3 320 1331 C 1 H 2 A 0.40 1.90 20 185.7 8.2 2.235E-03 3320525866.07775 45.28 140.4 140.4 320 1331 C 1 H 2 A 0.45 1.95 20 185.9 11.5 2.232E-03 3320525871.39025 45.28 140.6 140.6 320 1331 C 1 H 2 A 0.50 2.00 20 176.7 12.0 2.403E-03 3320525876.71837 45.28 131.4 131.4 320 1331 C 1 H 2 A 0.55 2.05 20 175.9 10.5 2.730E-03 3320525882.04650 45.28 130.6 130.6 320 1331 C 1 H 2 A 0.60 2.10 20 179.1 15.4 2.583E-03 3320525887.37462 45.28 133.8 133.8 320 1331 C 1 H 2 A 0.65 2.15 20 171.8 15.8 2.397E-03 3320525892.70275 45.28 126.5 126.5 320 1331 C 1 H 2 A 0.70 2.20 20 163.0 18.9 2.154E-03 3320525898.01525 45.28 117.7 117.7 320 1331 C 1 H 2 A 0.75 2.25 20 166.9 21.1 2.094E-03 3320525903.34337 45.28 121.6 121.6 320 1331 C 1 H 2 A 0.80 2.30 20 175.5 15.4 2.677E-03 3320525908.67150 45.28 130.2 130.2 320 1331 C 1 H 2 A 0.85 2.35 20 178.6 19.1 3.215E-03 3320525913.99962 45.28 133.3 133.3 320 1331 C 1 H 2 A 0.90 2.40 20 176.6 21.8 2.576E-03 3320525919.32775 45.28 131.3 131.3 320 1331 C 1 H 2 A 0.95 2.45 20 154.9 47.1 1.697E-03 3320525924.64025 45.28 109.6 109.6 320 1331 C 1 H 2 A 1.00 2.50 20 115.2 56.8 1.557E-03 3320525929.96837 45.28 69.9 69.9 320 1331 C 1 H 2 A 1.05 2.55 20 52.4 55.8 1.527E-03 3320525935.29650 45.28 7.1 7.1 320 1331 C 1 H 2 A 1.10 2.60 20 43.7 32.1 2.316E-03 3320525940.62462 45.28 358.4 -1.6 320 1331 C 1 H 2 A 1.15 2.65 20 34.8 31.3 2.240E-03 3320525945.95275 45.28 349.5 -10.5 320 1331 C 1 H 2 A 1.20 2.70 20 36.3 31.8 2.087E-03 3320525951.28087 45.28 351.0 -9.0 320 1331 C 1 H 2 A 1.25 2.75 20 36.2 34.0 1.835E-03 3320525956.59337 45.28 350.9 -9.1 320 1331 C 1 H 2 A 1.30 2.80 20 35.0 37.2 1.646E-03 3320525961.92150 45.28 349.7 -10.3 320 1331 C 1 H 2 A 1.35 2.85 20 39.8 46.8 1.373E-03 3320525967.24962 45.28 354.5 -5.5 320 1331 C 1 H 2 A 1.40 2.90 20 35.2 45.7 1.425E-03 3320525972.57775 45.28 349.9 -10.1 320 1331 C 1 H 3 A 0.10 3.10 20 38.4 16.1 2.100E-03 3320527590.03087 45.28 353.1 -6.9 320 1331 C 1 H 3 A 0.15 3.15 20 37.9 15.8 2.003E-03 3320527595.34337 45.28 352.6 -7.4 320 1331 C 1 H 3 A 0.20 3.20 20 35.9 16.9 1.666E-03 3320527600.67150 45.28 350.6 -9.4 320 1331 C 1 H 3 A 0.25 3.25 20 36.4 14.1 1.713E-03 3320527605.99962 45.28 351.1 -8.9 320 1331 C 1 H 3 A 0.30 3.30 20 34.5 16.9 1.913E-03 3320527611.32775 45.28 349.2 -10.8 320 1331 C 1 H 3 A 0.35 3.35 20 36.6 30.7 1.804E-03 3320527616.64025 45.28 351.3 -8.7 320 1331 C 1 H 3 A 0.40 3.40 20 39.7 38.2 1.276E-03 3320527621.96837 45.28 354.4 -5.6 320 1331 C 1 H 3 A 0.45 3.45 20 38.7 26.6 1.514E-03 3320527627.29650 45.28 353.4 -6.6 320 1331 C 1 H 3 A 0.50 3.50 20 36.0 14.1 2.754E-03 3320527632.62462 45.28 350.7 -9.3 320 1331 C 1 H 3 A 0.55 3.55 20 37.9 13.2 2.964E-03 3320527637.95275 45.28 352.6 -7.4 320 1331 C 1 H 3 A 0.60 3.60 20 36.6 12.7 2.828E-03 3320527643.26525 45.28 351.3 -8.7 320 1331 C 1 H 3 A 0.65 3.65 20 37.1 11.4 2.485E-03 3320527648.59337 45.28 351.8 -8.2 320 1331 C 1 H 3 A 0.70 3.70 20 38.7 14.3 2.323E-03 3320527653.92150 45.28 353.4 -6.6 320 1331 C 1 H 3 A 0.75 3.75 20 39.1 17.5 2.335E-03 3320527659.24962 45.28 353.8 -6.2 320 1331 C 1 H 3 A 0.80 3.80 20 38.7 25.6 2.438E-03 3320527664.57775 45.28 353.4 -6.6 320 1331 C 1 H 3 A 0.85 3.85 20 37.5 20.8 2.369E-03 3320527669.89025 45.28 352.2 -7.8 320 1331 C 1 H 3 A 0.90 3.90 20 36.6 19.6 2.436E-03 3320527675.21837 45.28 351.3 -8.7 320 1331 C 1 H 3 A 0.95 3.95 20 34.7 17.8 2.625E-03 3320527680.54650 45.28 349.4 -10.6 320 1331 C 1 H 3 A 1.00 4.00 20 33.5 17.4 2.643E-03 3320527685.87462 45.28 348.2 -11.8 320 1331 C 1 H 3 A 1.05 4.05 20 24.1 14.6 3.810E-03 3320527691.20275 45.28 338.8 -21.2 320 1331 C 1 H 3 A 1.10 4.10 20 35.9 18.4 3.848E-03 3320527696.51525 45.28 350.6 -9.4 320 1331 C 1 H 3 A 1.15 4.15 20 34.2 18.2 3.531E-03 3320527701.84337 45.28 348.9 -11.1 320 1331 C 1 H 3 A 1.20 4.20 20 36.2 18.4 3.215E-03 3320527707.17150 45.28 350.9 -9.1 320 1331 C 1 H 3 A 1.25 4.25 20 39.7 19.7 3.149E-03 3320527712.49962 45.28 354.4 -5.6 320 1331 C 1 H 3 A 1.30 4.30 20 40.2 20.9 3.032E-03 3320527717.81212 45.28 354.9 -5.1 320 1331 C 1 H 3 A 1.35 4.35 20 46.7 23.5 2.601E-03 3320527723.14025 45.28 1.4 1.4 320 1331 C 1 H 3 A 1.40 4.40 20 46.7 20.1 3.077E-03 3320527728.45275 45.28 1.4 1.4 320 1331 C 1 H 4 A 0.10 4.60 20 43.8 31.1 1.278E-03 3320528468.90587 45.28 358.5 -1.5 320 1331 C 1 H 4 A 0.15 4.65 20 44.0 18.8 2.140E-03 3320528474.23400 45.28 358.7 -1.3 320 1331 C 1 H 4 A 0.20 4.70 20 43.5 11.8 3.226E-03 3320528479.56212 45.28 358.2 -1.8 320 1331 C 1 H 4 A 0.25 4.75 20 39.7 12.4 3.237E-03 3320528484.87462 45.28 354.4 -5.6 320 1331 C 1 H 4 A 0.30 4.80 20 36.9 14.0 3.147E-03 3320528490.20275 45.28 351.6 -8.4 320 1331 C 1 H 4 A 0.35 4.85 20 34.4 14.5 3.086E-03 3320528495.53087 45.28 349.1 -10.9 320 1331 C 1 H 4 A 0.40 4.90 20 35.1 14.7 3.038E-03 3320528500.85900 45.28 349.8 -10.2 320 1331 C 1 H 4 A 0.45 4.95 20 40.4 20.6 2.344E-03 3320528506.18712 45.28 355.1 -4.9 320 1331 C 1 H 4 A 0.50 5.00 20 43.1 46.0 1.109E-03 3320528511.49962 45.28 357.8 -2.2 320 1331 C 1 H 4 A 0.55 5.05 20 49.7 60.9 8.993E-04 3320528516.82775 45.28 4.4 4.4 320 1331 C 1 H 4 A 0.60 5.10 20 206.1 66.9 7.458E-04 3320528522.15587 45.28 160.8 160.8 320 1331 C 1 H 4 A 0.65 5.15 20 203.9 27.4 1.306E-03 3320528527.48400 45.28 158.6 158.6 320 1331 C 1 H 4 A 0.70 5.20 20 207.1 13.1 2.611E-03 3320528532.81212 45.28 161.8 161.8 320 1331 C 1 H 4 A 0.75 5.25 20 218.7 15.9 2.289E-03 3320528538.12462 45.28 173.4 173.4 320 1331 C 1 H 4 A 0.80 5.30 20 219.2 14.1 2.458E-03 3320528543.45275 45.28 173.9 173.9 320 1331 C 1 H 4 A 0.85 5.35 20 220.7 13.3 2.458E-03 3320528548.78087 45.28 175.4 175.4 320 1331 C 1 H 4 A 0.90 5.40 20 235.5 46.2 7.322E-04 3320528554.10900 45.28 190.2 190.2 320 1331 C 1 H 4 A 0.95 5.45 20 188.6 78.7 5.885E-04 3320528559.43712 45.28 143.3 143.3 320 1331 C 1 H 4 A 1.00 5.50 20 113.3 73.1 6.480E-04 3320528564.74962 45.28 68.0 68.0 320 1331 C 1 H 4 A 1.05 5.55 20 210.5 14.5 2.221E-03 3320528570.07775 45.28 165.2 165.2 320 1331 C 1 H 4 A 1.10 5.60 20 214.9 7.8 3.370E-03 3320528575.40587 45.28 169.6 169.6 320 1331 C 1 H 4 A 1.15 5.65 20 216.8 8.7 3.265E-03 3320528580.73400 45.28 171.5 171.5 320 1331 C 1 H 4 A 1.20 5.70 20 215.5 13.9 2.654E-03 3320528586.06212 45.28 170.2 170.2 320 1331 C 1 H 4 A 1.25 5.75 20 215.5 13.6 2.479E-03 3320528591.37462 45.28 170.2 170.2 320 1331 C 1 H 4 A 1.30 5.80 20 216.3 10.6 2.581E-03 3320528596.70275 45.28 171.0 171.0 320 1331 C 1 H 4 A 1.35 5.85 20 199.6 22.8 1.243E-03 3320528602.03087 45.28 154.3 154.3 320 1331 C 1 H 4 A 1.40 5.90 20 106.3 47.7 7.783E-04 3320528607.35900 45.28 61.0 61.0 320 1331 C 1 H 5 A 0.10 6.10 20 58.1 32.5 1.477E-03 3320529871.46837 45.28 12.8 12.8 320 1331 C 1 H 5 A 0.15 6.15 20 57.5 33.6 1.440E-03 3320529876.96837 45.28 12.2 12.2 320 1331 C 1 H 5 A 0.20 6.20 20 49.1 22.9 2.021E-03 3320529882.32775 45.28 3.8 3.8 320 1331 C 1 H 5 A 0.25 6.25 20 53.7 28.5 1.687E-03 3320529887.67150 45.28 8.4 8.4 320 1331 C 1 H 5 A 0.30 6.30 20 116.7 53.7 1.012E-03 3320529893.09337 45.28 71.4 71.4 320 1331 C 1 H 5 A 0.35 6.35 20 217.1 68.7 1.100E-03 3320529898.43712 45.28 171.8 171.8 320 1331 C 1 H 5 A 0.40 6.40 20 171.2 78.7 8.894E-04 3320529903.99962 45.28 125.9 125.9 320 1331 C 1 H 5 A 0.45 6.45 20 58.2 51.8 1.216E-03 3320529909.90587 45.28 12.9 12.9 320 1331 C 1 H 5 A 0.50 6.50 20 58.1 20.1 2.887E-03 3320529915.26525 45.28 12.8 12.8 320 1331 C 1 H 5 A 0.55 6.55 20 55.9 20.9 2.724E-03 3320529920.59337 45.28 10.6 10.6 320 1331 C 1 H 5 A 0.60 6.60 20 60.7 21.1 2.582E-03 3320529925.92150 45.28 15.4 15.4 320 1331 C 1 H 5 A 0.65 6.65 20 60.1 21.3 2.539E-03 3320529931.24962 45.28 14.8 14.8 320 1331 C 1 H 5 A 0.70 6.70 20 62.6 25.3 1.998E-03 3320529936.57775 45.28 17.3 17.3 320 1331 C 1 H 5 A 0.75 6.75 20 227.6 70.7 7.961E-04 3320529941.90587 45.28 182.3 182.3 320 1331 C 1 H 5 A 0.80 6.80 20 231.1 46.4 9.999E-04 3320529947.21837 45.28 185.8 185.8 320 1331 C 1 H 5 A 0.85 6.85 20 235.8 44.2 1.030E-03 3320529952.54650 45.28 190.5 190.5 320 1331 C 1 H 5 A 0.90 6.90 20 114.9 57.0 8.005E-04 3320529957.87462 45.28 69.6 69.6 320 1331 C 1 H 5 A 0.95 6.95 20 204.9 43.7 5.906E-04 3320529963.20275 45.28 159.6 159.6 320 1331 C 1 H 5 A 1.00 7.00 20 235.8 16.7 1.766E-03 3320529969.04650 45.28 190.5 190.5 320 1331 C 1 H 5 A 1.05 7.05 20 237.0 15.8 1.685E-03 3320529974.99962 45.28 191.7 191.7 320 1331 C 1 H 5 A 1.10 7.10 20 236.6 14.7 1.562E-03 3320529980.32775 45.28 191.3 191.3 320 1331 C 1 H 5 A 1.15 7.15 20 235.9 11.1 1.695E-03 3320529986.39025 45.28 190.6 190.6 320 1331 C 1 H 5 A 1.20 7.20 20 235.6 10.9 1.696E-03 3320529991.71837 45.28 190.3 190.3 320 1331 C 1 H 5 A 1.25 7.25 20 235.0 13.1 1.274E-03 3320529997.04650 45.28 189.7 189.7 320 1331 C 1 H 5 A 1.30 7.30 20 235.2 10.6 9.547E-04 3320530002.37462 45.28 189.9 189.9 320 1331 C 1 H 5 A 1.35 7.35 20 232.8 13.6 6.658E-04 3320530007.70275 45.28 187.5 187.5 320 1331 C 1 H 5 A 1.40 7.40 20 232.8 26.3 4.354E-04 3320530013.01525 45.28 187.5 187.5 320 1331 C 1 H 6 A 0.10 7.60 20 238.6 1.9 5.346E-03 3320530910.35900 45.28 193.3 193.3 320 1331 C 1 H 6 A 0.15 7.65 20 239.1 5.1 4.377E-03 3320530915.68712 45.28 193.8 193.8 320 1331 C 1 H 6 A 0.20 7.70 20 237.3 8.9 4.169E-03 3320530921.01525 45.28 192.0 192.0 320 1331 C 1 H 6 A 0.25 7.75 20 234.1 11.6 3.658E-03 3320530926.34337 45.28 188.8 188.8 320 1331 C 1 H 6 A 0.30 7.80 20 238.3 16.2 3.404E-03 3320530931.67150 45.28 193.0 193.0 320 1331 C 1 H 6 A 0.35 7.85 20 237.7 19.6 2.681E-03 3320530936.98400 45.28 192.4 192.4 320 1331 C 1 H 6 A 0.40 7.90 20 237.3 22.3 2.222E-03 3320530942.31212 45.28 192.0 192.0 320 1331 C 1 H 6 A 0.45 7.95 20 234.0 21.8 1.970E-03 3320530947.64025 45.28 188.7 188.7 320 1331 C 1 H 6 A 0.50 8.00 20 236.6 17.4 2.378E-03 3320530952.95275 45.28 191.3 191.3 320 1331 C 1 H 6 A 0.55 8.05 20 237.1 17.5 2.679E-03 3320530958.28087 45.28 191.8 191.8 320 1331 C 1 H 6 A 0.60 8.10 20 234.8 19.1 2.790E-03 3320530963.60900 45.28 189.5 189.5 320 1331 C 1 H 6 A 0.65 8.15 20 233.2 20.1 2.589E-03 3320530968.93712 45.28 187.9 187.9 320 1331 C 1 H 6 A 0.70 8.20 20 234.5 23.6 1.935E-03 3320530974.26525 45.28 189.2 189.2 320 1331 C 1 H 6 A 0.75 8.25 20 267.3 31.8 1.263E-03 3320530979.57775 45.28 222.0 222.0 320 1331 C 1 H 6 A 0.80 8.30 20 234.8 19.9 1.231E-03 3320530984.90587 45.28 189.5 189.5 320 1331 C 1 H 6 A 0.85 8.35 20 233.0 23.2 1.246E-03 3320530990.23400 45.28 187.7 187.7 320 1331 C 1 H 6 A 0.90 8.40 20 232.7 21.4 1.105E-03 3320530995.56212 45.28 187.4 187.4 320 1331 C 1 H 6 A 0.95 8.45 20 230.9 27.7 8.409E-04 3320531000.89025 45.28 185.6 185.6 320 1331 C 1 H 6 A 1.00 8.50 20 239.5 23.4 9.690E-04 3320531006.21837 45.28 194.2 194.2 320 1331 C 1 H 7 A 0.10 8.70 20 226.1 19.8 7.686E-04 3320531806.01525 45.28 180.8 180.8 320 1331 C 1 H 7 A 0.15 8.75 20 228.4 27.8 8.091E-04 3320531811.34337 45.28 183.1 183.1 320 1331 C 1 H 7 A 0.20 8.80 20 229.1 21.8 7.717E-04 3320531816.65587 45.28 183.8 183.8 320 1331 C 1 H 7 A 0.25 8.85 20 231.6 17.2 8.392E-04 3320531821.98400 45.28 186.3 186.3 320 1331 C 1 H 7 A 0.30 8.90 20 232.4 13.4 7.547E-04 3320531827.31212 45.28 187.1 187.1 320 1331 C 1 H 7 A 0.35 8.95 20 227.6 12.3 6.945E-04 3320531832.64025 45.28 182.3 182.3 320 1331 C 1 H 7 A 0.40 9.00 20 218.9 5.9 1.672E-03 3320531837.95275 45.28 173.6 173.6 320 1331 C 1 H 7 A 0.45 9.05 20 230.2 8.1 1.491E-03 3320531843.28087 45.28 184.9 184.9 320 1331 C 1 H 7 A 0.50 9.10 20 228.7 7.1 1.453E-03 3320531848.60900 45.28 183.4 183.4 320 1331 C 2 H 1 A 0.35 9.85 20 78.4 84.7 9.137E-04 3320534413.20275 163.54 274.9 -85.1 320 1331 C 2 H 1 A 0.40 9.90 20 240.6 83.1 7.628E-04 3320534576.67150 163.54 77.1 77.1 320 1331 C 2 H 1 A 0.45 9.95 20 238.2 72.7 7.120E-04 3320534581.99962 163.54 74.7 74.7 320 1331 C 2 H 1 A 0.50 10.00 20 232.0 58.2 5.423E-04 3320534587.32775 163.54 68.5 68.5 320 1331 C 2 H 1 A 0.55 10.05 20 238.5 21.9 2.718E-04 3320534592.64025 163.54 75.0 75.0 320 1331 C 2 H 1 A 0.60 10.10 20 278.6 37.0 3.561E-04 3320534597.96837 163.54 115.1 115.1 320 1331 C 2 H 1 A 0.65 10.15 20 290.1 5.8 1.246E-03 3320534603.29650 163.54 126.6 126.6 320 1331 C 2 H 1 A 0.70 10.20 20 301.0 5.7 1.460E-03 3320534608.62462 163.54 137.5 137.5 320 1331 C 2 H 1 A 0.75 10.25 20 295.3 3.5 2.123E-03 3320534613.95275 163.54 131.8 131.8 320 1331 C 2 H 1 A 0.80 10.30 20 291.4 7.8 1.348E-03 3320534619.26525 163.54 127.9 127.9 320 1331 C 2 H 1 A 0.85 10.35 20 127.7 23.6 6.760E-04 3320534624.59337 163.54 324.2 -35.8 320 1331 C 2 H 1 A 0.90 10.40 20 129.6 20.8 8.805E-04 3320534629.92150 163.54 326.1 -33.9 320 1331 C 2 H 1 A 0.95 10.45 20 114.2 15.9 1.600E-03 3320534635.24962 163.54 310.7 -49.3 320 1331 C 2 H 1 A 1.00 10.50 20 128.0 20.4 1.538E-03 3320534640.56212 163.54 324.5 -35.5 320 1331 C 2 H 1 A 1.05 10.55 20 124.0 20.8 1.766E-03 3320534645.89025 163.54 320.5 -39.5 320 1331 C 2 H 1 A 1.10 10.60 20 126.8 19.8 1.587E-03 3320534651.21837 163.54 323.3 -36.7 320 1331 C 2 H 1 A 1.15 10.65 20 128.6 19.6 1.433E-03 3320534656.54650 163.54 325.1 -34.9 320 1331 C 2 H 1 A 1.20 10.70 20 132.0 17.5 1.627E-03 3320534661.87462 163.54 328.5 -31.5 320 1331 C 2 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3.836E-03 3320536155.71837 163.54 2.0 2.0 320 1331 C 2 H 2 A 0.50 11.50 20 165.5 12.8 3.452E-03 3320536161.04650 163.54 2.0 2.0 320 1331 C 2 H 2 A 0.55 11.55 20 173.1 13.2 2.022E-03 3320536166.35900 163.54 9.6 9.6 320 1331 C 2 H 2 A 0.60 11.60 20 260.4 25.2 9.263E-04 3320536171.68712 163.54 96.9 96.9 320 1331 C 2 H 2 A 0.65 11.65 20 305.3 2.5 2.373E-03 3320536177.01525 163.54 141.8 141.8 320 1331 C 2 H 2 A 0.70 11.70 20 316.4 7.4 2.225E-03 3320536182.34337 163.54 152.9 152.9 320 1331 C 2 H 2 A 0.75 11.75 20 312.6 12.1 1.784E-03 3320536187.65587 163.54 149.1 149.1 320 1331 C 2 H 2 A 0.80 11.80 20 181.8 61.2 7.581E-04 3320536192.98400 163.54 18.3 18.3 320 1331 C 2 H 2 A 0.85 11.85 20 190.0 26.6 1.472E-03 3320536198.31212 163.54 26.5 26.5 320 1331 C 2 H 2 A 0.90 11.90 20 179.5 20.4 2.074E-03 3320536203.64025 163.54 16.0 16.0 320 1331 C 2 H 2 A 0.95 11.95 20 166.8 18.3 2.983E-03 3320536208.95275 163.54 3.3 3.3 320 1331 C 2 H 2 A 1.00 12.00 20 169.7 17.7 2.981E-03 3320536214.28087 163.54 6.2 6.2 320 1331 C 2 H 2 A 1.05 12.05 20 169.2 17.2 3.001E-03 3320536219.60900 163.54 5.7 5.7 320 1331 C 2 H 2 A 1.10 12.10 20 171.9 17.6 2.810E-03 3320536224.93712 163.54 8.4 8.4 320 1331 C 2 H 2 A 1.15 12.15 20 173.8 18.0 2.633E-03 3320536230.24962 163.54 10.3 10.3 320 1331 C 2 H 2 A 1.20 12.20 20 175.6 18.3 2.402E-03 3320536235.57775 163.54 12.1 12.1 320 1331 C 2 H 2 A 1.25 12.25 20 177.1 10.7 1.972E-03 3320536240.90587 163.54 13.6 13.6 320 1331 C 2 H 2 A 1.30 12.30 20 179.7 17.5 1.796E-03 3320536246.23400 163.54 16.2 16.2 320 1331 C 2 H 2 A 1.35 12.35 20 183.0 20.3 1.515E-03 3320536251.56212 163.54 19.5 19.5 320 1331 C 2 H 2 A 1.40 12.40 20 183.2 18.1 1.693E-03 3320536256.87462 163.54 19.7 19.7 320 1331 C 2 H 3 A 0.10 12.60 20 156.1 10.0 2.710E-03 3320537096.96837 163.54 352.6 -7.4 320 1331 C 2 H 3 A 0.15 12.65 20 155.4 12.6 2.146E-03 3320537102.29650 163.54 351.9 -8.1 320 1331 C 2 H 3 A 0.20 12.70 20 154.1 20.8 1.215E-03 3320537107.62462 163.54 350.6 -9.4 320 1331 C 2 H 3 A 0.25 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1.8 1.322E-03 3320537171.49962 163.54 169.5 169.5 320 1331 C 2 H 3 A 0.85 13.35 20 333.0 1.2 1.085E-03 3320537176.82775 163.54 169.5 169.5 320 1331 C 2 H 3 A 0.90 13.40 20 336.2 -0.1 1.358E-03 3320537182.15587 163.54 172.7 172.7 320 1331 C 2 H 3 A 0.95 13.45 20 334.1 3.3 1.106E-03 3320537187.48400 163.54 170.6 170.6 320 1331 C 2 H 3 A 1.00 13.50 20 335.8 23.3 5.516E-04 3320537192.81212 163.54 172.3 172.3 320 1331 C 2 H 3 A 1.05 13.55 20 341.8 15.4 1.022E-03 3320537198.12462 163.54 178.3 178.3 320 1331 C 2 H 3 A 1.10 13.60 20 339.1 10.5 1.483E-03 3320537203.45275 163.54 175.6 175.6 320 1331 C 2 H 3 A 1.15 13.65 20 336.6 12.2 1.613E-03 3320537208.78087 163.54 173.1 173.1 320 1331 C 2 H 3 A 1.20 13.70 20 336.7 10.1 1.783E-03 3320537214.10900 163.54 173.2 173.2 320 1331 C 2 H 3 A 1.25 13.75 20 340.1 9.5 1.785E-03 3320537219.42150 163.54 176.6 176.6 320 1331 C 2 H 3 A 1.30 13.80 20 330.3 5.8 2.552E-03 3320537224.74962 163.54 166.8 166.8 320 1331 C 2 H 3 A 1.35 13.85 20 338.1 6.5 2.206E-03 3320537230.07775 163.54 174.6 174.6 320 1331 C 2 H 3 A 1.40 13.90 20 339.7 6.0 2.150E-03 3320537235.40587 163.54 176.2 176.2 320 1331 C 2 H 4 A 0.10 14.10 20 341.3 9.6 2.361E-03 3320537951.18712 163.54 177.8 177.8 320 1331 C 2 H 4 A 0.15 14.15 20 339.4 16.1 1.524E-03 3320537956.49962 163.54 175.9 175.9 320 1331 C 2 H 4 A 0.20 14.20 20 201.3 38.3 6.480E-04 3320537961.82775 163.54 37.8 37.8 320 1331 C 2 H 4 A 0.25 14.25 20 193.3 74.7 3.939E-04 3320537967.15587 163.54 29.8 29.8 320 1331 C 2 H 4 A 0.30 14.30 20 218.6 75.9 4.201E-04 3320537972.48400 163.54 55.1 55.1 320 1331 C 2 H 4 A 0.35 14.35 20 309.5 72.4 4.931E-04 3320537977.79650 163.54 146.0 146.0 320 1331 C 2 H 4 A 0.40 14.40 20 140.1 26.9 1.565E-03 3320537983.12462 163.54 336.6 -23.4 320 1331 C 2 H 4 A 0.45 14.45 20 170.0 24.7 2.333E-03 3320537988.45275 163.54 6.5 6.5 320 1331 C 2 H 4 A 0.50 14.50 20 171.4 20.7 2.689E-03 3320537993.78087 163.54 7.9 7.9 320 1331 C 2 H 4 A 0.55 14.55 20 173.5 27.5 2.276E-03 3320537999.10900 163.54 10.0 10.0 320 1331 C 2 H 4 A 0.60 14.60 20 173.0 25.7 2.788E-03 3320538004.42150 163.54 9.5 9.5 320 1331 C 2 H 4 A 0.65 14.65 20 173.4 18.0 3.871E-03 3320538009.74962 163.54 9.9 9.9 320 1331 C 2 H 4 A 0.70 14.70 20 170.4 15.6 4.775E-03 3320538015.07775 163.54 6.9 6.9 320 1331 C 2 H 4 A 0.75 14.75 20 164.2 17.5 5.080E-03 3320538020.40587 163.54 0.7 0.7 320 1331 C 2 H 4 A 0.80 14.80 20 170.1 20.1 4.492E-03 3320538025.73400 163.54 6.6 6.6 320 1331 C 2 H 4 A 0.85 14.85 20 171.3 19.8 4.364E-03 3320538031.06212 163.54 7.8 7.8 320 1331 C 2 H 4 A 0.90 14.90 20 170.6 16.9 4.439E-03 3320538036.37462 163.54 7.1 7.1 320 1331 C 2 H 4 A 0.95 14.95 20 169.8 18.7 3.224E-03 3320538041.70275 163.54 6.3 6.3 320 1331 C 2 H 4 A 1.00 15.00 20 169.1 23.7 2.426E-03 3320538047.03087 163.54 5.6 5.6 320 1331 C 2 H 4 A 1.05 15.05 20 165.4 37.8 1.485E-03 3320538052.35900 163.54 1.9 1.9 320 1331 C 2 H 4 A 1.10 15.10 20 203.2 64.0 8.210E-04 3320538057.68712 163.54 39.7 39.7 320 1331 C 2 H 4 A 1.15 15.15 20 340.0 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320 1331 C 3 H 3 A 0.35 22.35 20 278.1 -10.1 2.697E-03 3320545483.60900 83.75 194.4 194.4 320 1331 C 3 H 3 A 0.40 22.40 20 282.5 -9.4 2.796E-03 3320545488.92150 83.75 198.8 198.8 320 1331 C 3 H 3 A 0.45 22.45 20 287.2 -7.5 2.889E-03 3320545494.24962 83.75 203.5 203.5 320 1331 C 3 H 3 A 0.50 22.50 20 278.5 -14.2 3.015E-03 3320545499.57775 83.75 194.8 194.8 320 1331 C 3 H 3 A 0.55 22.55 20 278.9 -10.7 3.008E-03 3320545504.90587 83.75 195.2 195.2 320 1331 C 3 H 3 A 0.60 22.60 20 280.6 -9.8 3.243E-03 3320545510.23400 83.75 196.9 196.9 320 1331 C 3 H 3 A 0.65 22.65 20 280.3 -9.7 3.019E-03 3320545515.54650 83.75 196.6 196.6 320 1331 C 3 H 3 A 0.70 22.70 20 279.8 -9.3 2.898E-03 3320545520.87462 83.75 196.1 196.1 320 1331 C 3 H 3 A 0.75 22.75 20 279.1 -10.1 2.645E-03 3320545526.20275 83.75 195.4 195.4 320 1331 C 3 H 3 A 0.80 22.80 20 279.1 -9.0 2.776E-03 3320545531.53087 83.75 195.4 195.4 320 1331 C 3 H 3 A 0.85 22.85 20 277.1 -8.1 2.989E-03 3320545536.85900 83.75 193.4 193.4 320 1331 C 3 H 3 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320 1331 C 4 H 1 A 1.30 29.80 20 357.2 -27.3 1.455E-03 3320551095.45275 62.19 295.0 -65.0 320 1331 C 4 H 1 A 1.35 29.85 20 8.1 -50.1 1.728E-03 3320551100.78087 62.19 305.9 -54.1 320 1331 C 4 H 1 A 1.40 29.90 20 56.3 -59.4 8.636E-04 3320551106.10900 62.19 354.1 -5.9 320 1331 C 4 H 2 A 0.10 30.10 20 241.6 -50.1 5.097E-04 3320551897.35900 62.19 179.4 179.4 320 1331 C 4 H 2 A 0.15 30.15 20 352.2 -6.6 2.237E-03 3320551902.68712 62.19 290.0 -70.0 320 1331 C 4 H 2 A 0.20 30.20 20 28.7 46.4 1.356E-03 3320551907.99962 62.19 326.5 -33.5 320 1331 C 4 H 2 A 0.25 30.25 20 126.2 -2.6 1.694E-03 3320551913.32775 62.19 64.0 64.0 320 1331 C 4 H 2 A 0.30 30.30 20 31.8 -34.2 7.578E-04 3320551918.65587 62.19 329.6 -30.4 320 1331 C 4 H 2 A 0.35 30.35 20 18.3 -21.0 1.773E-03 3320551923.98400 62.19 316.1 -43.9 320 1331 C 4 H 2 A 0.40 30.40 20 23.7 -16.9 1.936E-03 3320551929.29650 62.19 321.5 -38.5 320 1331 C 4 H 2 A 0.45 30.45 20 28.8 -18.8 1.744E-03 3320551934.62462 62.19 326.6 -33.4 320 1331 C 4 H 2 A 0.50 30.50 20 37.7 -27.0 1.480E-03 3320551939.95275 62.19 335.5 -24.5 320 1331 C 4 H 2 A 0.55 30.55 20 327.2 -51.0 1.177E-03 3320551945.28087 62.19 265.0 265.0 320 1331 C 4 H 2 A 0.60 30.60 20 330.7 -47.5 1.155E-03 3320551950.60900 62.19 268.5 268.5 320 1331 C 4 H 2 A 0.65 30.65 20 311.7 -45.2 1.014E-03 3320551955.92150 62.19 249.5 249.5 320 1331 C 4 H 2 A 0.70 30.70 20 332.7 -59.3 4.696E-04 3320551961.24962 62.19 270.5 -89.5 320 1331 C 4 H 2 A 0.75 30.75 20 6.3 -24.8 3.726E-04 3320551966.57775 62.19 304.1 -55.9 320 1331 C 4 H 2 A 0.80 30.80 20 340.9 -6.4 5.254E-04 3320551971.90587 62.19 278.7 -81.3 320 1331 C 4 H 2 A 0.85 30.85 20 220.9 12.4 5.237E-04 3320551977.23400 62.19 158.7 158.7 320 1331 C 4 H 2 A 0.90 30.90 20 138.5 -40.5 1.151E-04 3320551982.54650 62.19 76.3 76.3 320 1331 C 4 H 2 A 0.95 30.95 20 72.7 -24.2 8.371E-04 3320551987.87462 62.19 10.5 10.5 320 1331 C 4 H 2 A 1.00 31.00 20 71.4 8.4 5.964E-04 3320551993.20275 62.19 9.2 9.2 320 1331 C 4 H 2 A 1.05 31.05 20 119.5 75.9 2.107E-04 3320551998.53087 62.19 57.3 57.3 320 1331 C 4 H 2 A 1.10 31.10 20 324.7 44.7 4.097E-04 3320552003.85900 62.19 262.5 262.5 320 1331 C 4 H 2 A 1.15 31.15 20 335.1 50.3 4.396E-04 3320552009.18712 62.19 272.9 -87.1 320 1331 C 4 H 2 A 1.20 31.20 20 242.7 70.5 3.466E-04 3320552014.49962 62.19 180.5 180.5 320 1331 C 4 H 2 A 1.25 31.25 20 225.9 69.1 3.555E-04 3320552019.82775 62.19 163.7 163.7 320 1331 C 4 H 2 A 1.30 31.30 20 225.2 58.2 4.402E-04 3320552025.15587 62.19 163.0 163.0 320 1331 C 4 H 2 A 1.35 31.35 20 227.5 57.5 4.906E-04 3320552030.48400 62.19 165.3 165.3 320 1331 C 4 H 2 A 1.40 31.40 20 229.2 68.6 4.602E-04 3320552035.79650 62.19 167.0 167.0 320 1331 C 4 H 3 A 0.10 31.60 20 189.6 74.4 4.880E-04 3320552848.23400 62.19 127.4 127.4 320 1331 C 4 H 3 A 0.15 31.65 20 206.0 81.2 4.880E-04 3320552853.54650 62.19 143.8 143.8 320 1331 C 4 H 3 A 0.20 31.70 20 127.7 74.0 5.101E-04 3320552858.87462 62.19 65.5 65.5 320 1331 C 4 H 3 A 0.25 31.75 20 195.8 72.8 5.422E-04 3320552864.20275 62.19 133.6 133.6 320 1331 C 4 H 3 A 0.30 31.80 20 198.9 76.9 5.562E-04 3320552869.53087 62.19 136.7 136.7 320 1331 C 4 H 3 A 0.35 31.85 20 165.2 78.0 5.215E-04 3320552874.85900 62.19 103.0 103.0 320 1331 C 4 H 3 A 0.40 31.90 20 278.8 88.4 5.243E-04 3320552880.18712 62.19 216.6 216.6 320 1331 C 4 H 3 A 0.45 31.95 20 348.8 76.8 5.206E-04 3320552885.49962 62.19 286.6 -73.4 320 1331 C 4 H 3 A 0.50 32.00 20 20.5 86.5 3.683E-04 3320552890.82775 62.19 318.3 -41.7 320 1331 C 4 H 3 A 0.55 32.05 20 198.1 59.1 2.596E-04 3320552896.15587 62.19 135.9 135.9 320 1331 C 4 H 3 A 0.60 32.10 20 228.0 60.4 3.230E-04 3320552901.48400 62.19 165.8 165.8 320 1331 C 4 H 3 A 0.65 32.15 20 222.9 46.9 5.365E-04 3320552906.81212 62.19 160.7 160.7 320 1331 C 4 H 3 A 0.70 32.20 20 231.9 39.6 1.030E-03 3320552912.12462 62.19 169.7 169.7 320 1331 C 4 H 3 A 0.75 32.25 20 247.0 36.2 1.018E-03 3320552917.45275 62.19 184.8 184.8 320 1331 C 4 H 3 A 0.80 32.30 20 231.5 47.2 7.501E-04 3320552922.78087 62.19 169.3 169.3 320 1331 C 4 H 3 A 0.85 32.35 20 209.4 46.2 7.157E-04 3320552928.10900 62.19 147.2 147.2 320 1331 C 4 H 3 A 0.90 32.40 20 215.3 44.4 7.585E-04 3320552933.42150 62.19 153.1 153.1 320 1331 C 4 H 3 A 0.95 32.45 20 223.8 44.4 7.578E-04 3320552938.74962 62.19 161.6 161.6 320 1331 C 4 H 3 A 1.00 32.50 20 223.8 35.9 8.468E-04 3320552944.07775 62.19 161.6 161.6 320 1331 C 4 H 3 A 1.05 32.55 20 218.2 32.9 8.862E-04 3320552949.40587 62.19 156.0 156.0 320 1331 C 4 H 3 A 1.10 32.60 20 222.4 31.3 9.983E-04 3320552954.73400 62.19 160.2 160.2 320 1331 C 4 H 3 A 1.15 32.65 20 220.4 29.3 9.495E-04 3320552960.04650 62.19 158.2 158.2 320 1331 C 4 H 3 A 1.20 32.70 20 213.1 20.3 5.085E-04 3320552965.37462 62.19 150.9 150.9 320 1331 C 4 H 3 A 1.25 32.75 20 213.8 9.9 5.649E-04 3320552970.70275 62.19 151.6 151.6 320 1331 C 4 H 3 A 1.30 32.80 20 209.9 7.5 1.101E-03 3320552976.03087 62.19 147.7 147.7 320 1331 C 4 H 3 A 1.35 32.85 20 222.0 14.8 1.045E-03 3320552981.35900 62.19 159.8 159.8 320 1331 C 4 H 3 A 1.40 32.90 20 232.2 27.4 8.503E-04 3320552986.68712 62.19 170.0 170.0 320 1331 C 4 H 4 A 0.10 33.10 20 237.0 42.7 4.060E-04 3320553748.09337 62.19 174.8 174.8 320 1331 C 4 H 4 A 0.15 33.15 20 227.9 36.4 4.428E-04 3320553753.42150 62.19 165.7 165.7 320 1331 C 4 H 4 A 0.20 33.20 20 229.3 32.2 5.098E-04 3320553758.74962 62.19 167.1 167.1 320 1331 C 4 H 4 A 0.25 33.25 20 231.9 39.1 5.072E-04 3320553764.07775 62.19 169.7 169.7 320 1331 C 4 H 4 A 0.30 33.30 20 224.4 46.2 4.990E-04 3320553769.40587 62.19 162.2 162.2 320 1331 C 4 H 4 A 0.35 33.35 20 227.5 54.7 4.519E-04 3320553774.71837 62.19 165.3 165.3 320 1331 C 4 H 4 A 0.40 33.40 20 234.4 54.8 4.602E-04 3320553780.04650 62.19 172.2 172.2 320 1331 C 4 H 4 A 0.45 33.45 20 224.6 51.4 4.503E-04 3320553785.37462 62.19 162.4 162.4 320 1331 C 4 H 4 A 0.50 33.50 20 220.2 49.6 4.191E-04 3320553790.68712 62.19 158.0 158.0 320 1331 C 4 H 4 A 0.55 33.55 20 219.4 51.4 3.896E-04 3320553796.01525 62.19 157.2 157.2 320 1331 C 4 H 4 A 0.60 33.60 20 216.0 58.3 3.548E-04 3320553801.34337 62.19 153.8 153.8 320 1331 C 4 H 4 A 0.65 33.65 20 222.0 60.6 3.513E-04 3320553806.67150 62.19 159.8 159.8 320 1331 C 4 H 4 A 0.70 33.70 20 227.7 55.7 3.519E-04 3320553811.99962 62.19 165.5 165.5 320 1331 C 4 H 4 A 0.75 33.75 20 236.3 52.4 2.803E-04 3320553817.32775 62.19 174.1 174.1 320 1331 C 4 H 4 A 0.80 33.80 20 241.3 65.3 1.527E-04 3320553822.65587 62.19 179.1 179.1 320 1331 C 4 H 4 A 0.85 33.85 20 60.9 68.7 1.061E-04 3320553827.96837 62.19 358.7 -1.3 320 1331 C 4 H 4 A 0.90 33.90 20 61.3 56.5 1.060E-04 3320553833.29650 62.19 359.1 -0.9 320 1331 C 4 H 4 A 0.95 33.95 20 172.3 83.9 7.423E-05 3320553838.62462 62.19 110.1 110.1 320 1331 C 4 H 4 A 1.00 34.00 20 215.8 73.6 6.453E-05 3320553843.95275 62.19 153.6 153.6 320 1331 C 4 H 4 A 1.05 34.05 20 155.7 76.8 5.892E-05 3320553849.26525 62.19 93.5 93.5 320 1331 C 4 H 4 A 1.15 34.15 20 91.5 76.3 8.538E-05 3320553859.92150 62.19 29.3 29.3 320 1331 C 4 H 4 A 1.20 34.20 20 64.8 75.9 9.595E-05 3320553865.23400 62.19 2.6 2.6 320 1331 C 4 H 4 A 1.25 34.25 20 47.6 72.8 9.647E-05 3320553870.56212 62.19 345.4 -14.6 320 1331 C 4 H 4 A 1.30 34.30 20 257.7 46.9 1.544E-04 3320553875.89025 62.19 195.5 195.5 320 1331 C 4 H 4 A 1.35 34.35 20 255.2 23.8 3.157E-04 3320553881.20275 62.19 193.0 193.0 320 1331 C 4 H 4 A 1.40 34.40 20 254.7 23.5 3.226E-04 3320553886.53087 62.19 192.5 192.5 320 1331 C 4 H 5 A 0.10 34.60 20 329.2 81.9 1.120E-04 3320555189.18712 62.19 267.0 267.0 320 1331 C 4 H 5 A 0.15 34.65 20 126.3 81.3 1.173E-04 3320555194.51525 62.19 64.1 64.1 320 1331 C 4 H 5 A 0.20 34.70 20 128.5 81.6 1.145E-04 3320555199.84337 62.19 66.3 66.3 320 1331 C 4 H 5 A 0.25 34.75 20 59.3 65.3 9.777E-05 3320555205.15587 62.19 357.1 -2.9 320 1331 C 4 H 5 A 0.30 34.80 20 59.4 24.2 1.290E-04 3320555210.48400 62.19 357.2 -2.8 320 1331 C 4 H 5 A 0.35 34.85 20 55.3 18.8 1.587E-04 3320555215.81212 62.19 353.1 -6.9 320 1331 C 4 H 5 A 0.40 34.90 20 48.3 39.4 1.406E-04 3320555221.14025 62.19 346.1 -13.9 320 1331 C 4 H 5 A 0.45 34.95 20 75.5 56.0 1.162E-04 3320555226.45275 62.19 13.3 13.3 320 1331 C 4 H 5 A 0.50 35.00 20 80.9 36.4 1.436E-04 3320555231.78087 62.19 18.7 18.7 320 1331 C 4 H 5 A 0.55 35.05 20 71.3 36.5 1.472E-04 3320555237.10900 62.19 9.1 9.1 320 1331 C 4 H 5 A 0.60 35.10 20 72.8 41.3 1.387E-04 3320555242.42150 62.19 10.6 10.6 320 1331 C 4 H 5 A 0.65 35.15 20 80.0 44.8 1.288E-04 3320555247.74962 62.19 17.8 17.8 320 1331 C 4 H 5 A 0.70 35.20 20 80.4 42.0 1.338E-04 3320555253.07775 62.19 18.2 18.2 320 1331 C 4 H 5 A 0.75 35.25 20 73.5 47.9 1.207E-04 3320555258.40587 62.19 11.3 11.3 320 1331 C 4 H 5 A 0.80 35.30 20 85.8 49.3 1.195E-04 3320555263.71837 62.19 23.6 23.6 320 1331 C 4 H 5 A 0.85 35.35 20 84.4 48.0 1.418E-04 3320555269.04650 62.19 22.2 22.2 320 1331 C 4 H 5 A 0.90 35.40 20 81.8 57.6 1.420E-04 3320555274.37462 62.19 19.6 19.6 320 1331 C 4 H 5 A 0.95 35.45 20 82.5 58.8 1.586E-04 3320555279.70275 62.19 20.3 20.3 320 1331 C 4 H 5 A 1.00 35.50 20 84.7 54.1 1.652E-04 3320555285.01525 62.19 22.5 22.5 320 1331 C 4 H 5 A 1.05 35.55 20 97.2 59.0 1.468E-04 3320555290.34337 62.19 35.0 35.0 320 1331 C 4 H 5 A 1.10 35.60 20 93.3 52.9 1.480E-04 3320555295.67150 62.19 31.1 31.1 320 1331 C 4 H 5 A 1.15 35.65 20 88.6 52.7 1.446E-04 3320555300.99962 62.19 26.4 26.4 320 1331 C 4 H 5 A 1.20 35.70 20 97.2 51.5 1.378E-04 3320555306.32775 62.19 35.0 35.0 320 1331 C 4 H 5 A 1.25 35.75 20 83.8 46.4 1.250E-04 3320555311.64025 62.19 21.6 21.6 320 1331 C 4 H 5 A 1.30 35.80 20 87.5 54.7 1.082E-04 3320555316.96837 62.19 25.3 25.3 320 1331 C 4 H 5 A 1.35 35.85 20 98.8 53.0 1.146E-04 3320555322.29650 62.19 36.6 36.6 320 1331 C 4 H 5 A 1.40 35.90 20 80.2 35.5 1.367E-04 3320555327.62462 62.19 18.0 18.0 320 1331 C 4 H 6 A 0.10 36.10 20 82.5 14.9 2.354E-04 3320556052.54650 62.19 20.3 20.3 320 1331 C 4 H 6 A 0.15 36.15 20 84.4 18.9 1.949E-04 3320556057.87462 62.19 22.2 22.2 320 1331 C 4 H 6 A 0.20 36.20 20 246.8 41.0 1.113E-04 3320556063.20275 62.19 184.6 184.6 320 1331 C 4 H 6 A 0.25 36.25 20 259.7 3.1 1.069E-03 3320556068.53087 62.19 197.5 197.5 320 1331 C 4 H 6 A 0.30 36.30 20 259.0 -35.8 1.605E-03 3320556073.85900 62.19 196.8 196.8 320 1331 C 4 H 6 A 0.35 36.35 20 72.2 -44.4 5.771E-03 3320556079.17150 62.19 10.0 10.0 320 1331 C 4 H 6 A 0.40 36.40 20 70.8 -33.1 1.155E-02 3320556084.49962 62.19 8.6 8.6 320 1331 C 4 H 6 A 0.45 36.45 20 69.1 -34.4 1.141E-02 3320556089.82775 62.19 6.9 6.9 320 1331 C 4 H 6 A 0.50 36.50 20 70.3 -40.4 9.310E-03 3320556095.15587 62.19 8.1 8.1 320 1331 C 4 H 6 A 0.55 36.55 20 72.0 -37.9 8.854E-03 3320556100.48400 62.19 9.8 9.8 320 1331 C 4 H 6 A 0.60 36.60 20 71.0 -34.5 8.632E-03 3320556105.79650 62.19 8.8 8.8 320 1331 C 4 H 6 A 0.65 36.65 20 68.2 -34.6 7.662E-03 3320556111.12462 62.19 6.0 6.0 320 1331 C 4 H 6 A 0.70 36.70 20 70.1 -32.2 7.135E-03 3320556116.45275 62.19 7.9 7.9 320 1331 C 4 H 6 A 0.75 36.75 20 73.8 -34.2 6.303E-03 3320556121.78087 62.19 11.6 11.6 320 1331 C 4 H 6 A 0.80 36.80 20 76.4 -33.5 6.338E-03 3320556127.10900 62.19 14.2 14.2 320 1331 C 4 H 6 A 0.85 36.85 20 74.0 -30.0 6.861E-03 3320556132.42150 62.19 11.8 11.8 320 1331 C 4 H 6 A 0.90 36.90 20 73.5 -25.5 7.402E-03 3320556137.74962 62.19 11.3 11.3 320 1331 C 4 H 6 A 0.95 36.95 20 72.2 -26.8 5.896E-03 3320556143.07775 62.19 10.0 10.0 320 1331 C 4 H 6 A 1.00 37.00 20 70.3 -34.8 4.203E-03 3320556148.40587 62.19 8.1 8.1 320 1331 C 4 H 6 A 1.05 37.05 20 70.5 -40.8 3.162E-03 3320556153.73400 62.19 8.3 8.3 320 1331 C 4 H 6 A 1.10 37.10 20 49.9 -64.9 1.712E-03 3320556159.04650 62.19 347.7 -12.3 320 1331 C 4 H 6 A 1.15 37.15 20 267.0 -26.2 2.225E-03 3320556164.37462 62.19 204.8 204.8 320 1331 C 4 H 6 A 1.20 37.20 20 269.3 -2.8 3.154E-03 3320556169.70275 62.19 207.1 207.1 320 1331 C 4 H 6 A 1.25 37.25 20 264.5 4.2 2.410E-03 3320556175.03087 62.19 202.3 202.3 320 1331 C 4 H 6 A 1.30 37.30 20 257.1 1.2 4.608E-03 3320556180.35900 62.19 194.9 194.9 320 1331 C 4 H 6 A 1.35 37.35 20 260.1 -2.7 7.269E-03 3320556185.67150 62.19 197.9 197.9 320 1331 C 4 H 6 A 1.40 37.40 20 259.4 0.6 8.340E-03 3320556190.99962 62.19 197.2 197.2 320 1331 C 4 H 7 A 0.10 37.60 20 259.4 8.5 5.679E-03 3320557020.53087 62.19 197.2 197.2 320 1331 C 4 H 7 A 0.15 37.65 20 259.0 9.3 5.838E-03 3320557025.85900 62.19 196.8 196.8 320 1331 C 4 H 7 A 0.20 37.70 20 257.4 11.7 5.972E-03 3320557031.18712 62.19 195.2 195.2 320 1331 C 4 H 7 A 0.25 37.75 20 256.4 12.3 5.715E-03 3320557036.49962 62.19 194.2 194.2 320 1331 C 4 H 7 A 0.30 37.80 20 253.2 10.8 6.619E-03 3320557041.82775 62.19 191.0 191.0 320 1331 C 4 H 7 A 0.35 37.85 20 251.9 10.5 6.038E-03 3320557047.15587 62.19 189.7 189.7 320 1331 C 4 H 7 A 0.40 37.90 20 252.5 13.1 4.976E-03 3320557052.48400 62.19 190.3 190.3 320 1331 C 4 H 7 A 0.45 37.95 20 255.5 13.8 5.121E-03 3320557057.81212 62.19 193.3 193.3 320 1331 C 4 H 7 A 0.50 38.00 20 257.2 12.7 5.300E-03 3320557063.12462 62.19 195.0 195.0 320 1331 C 4 H 7 A 0.55 38.05 20 256.7 11.0 5.429E-03 3320557068.45275 62.19 194.5 194.5 320 1331 C 4 H 7 A 0.60 38.10 20 256.2 10.3 5.558E-03 3320557073.78087 62.19 194.0 194.0 320 1331 C 4 H 7 A 0.65 38.15 20 255.0 12.6 5.286E-03 3320557079.10900 62.19 192.8 192.8 320 1331 C 4 H 7 A 0.70 38.20 20 256.4 14.5 5.035E-03 3320557084.42150 62.19 194.2 194.2 320 1331 C 4 H 7 A 0.75 38.25 20 259.0 10.3 6.455E-03 3320557089.74962 62.19 196.8 196.8 320 1331 C 6 H 1 A 0.10 59.10 20 74.5 7.1 5.223E-03 3320561562.88454 126.43 308.1 -51.9 320 1331 C 6 H 1 A 0.15 59.15 20 17.4 23.3 9.525E-03 3320561568.21266 126.43 251.0 251.0 320 1331 C 6 H 1 A 0.20 59.20 20 72.2 19.5 8.260E-03 3320561573.54079 126.43 305.8 -54.2 320 1331 C 6 H 1 A 0.25 59.25 20 91.8 12.7 3.317E-03 3320561578.86891 126.43 325.4 -34.6 320 1331 C 6 H 1 A 0.30 59.30 20 123.3 13.3 1.924E-03 3320561584.18141 126.43 356.9 -3.1 320 1331 C 6 H 1 A 0.35 59.35 20 106.3 3.4 2.113E-03 3320561589.50954 126.43 339.9 -20.1 320 1331 C 6 H 1 A 0.40 59.40 20 79.4 -6.4 3.178E-03 3320561594.83766 126.43 313.0 -47.0 320 1331 C 6 H 1 A 0.45 59.45 20 81.6 -2.5 3.339E-03 3320561600.15016 126.43 315.2 -44.8 320 1331 C 6 H 1 A 0.50 59.50 20 95.1 -6.2 1.610E-03 3320561605.47829 126.43 328.7 -31.3 320 1331 C 6 H 1 A 0.55 59.55 20 72.3 -6.3 4.117E-03 3320561610.80641 126.43 305.9 -54.1 320 1331 C 6 H 1 A 0.60 59.60 20 145.5 -25.2 4.903E-03 3320561616.13454 126.43 19.1 19.1 320 1331 C 6 H 1 A 0.65 59.65 20 94.9 -54.6 9.754E-03 3320561621.46266 126.43 328.5 -31.5 320 1331 C 6 H 1 A 0.70 59.70 20 58.0 -14.4 8.599E-03 3320561626.79079 126.43 291.6 -68.4 320 1331 C 6 H 1 A 0.75 59.75 20 95.4 -3.4 2.468E-03 3320561632.10329 126.43 329.0 -31.0 320 1331 C 6 H 1 A 0.80 59.80 20 90.2 2.2 3.966E-03 3320561637.43141 126.43 323.8 -36.2 320 1331 C 6 H 1 A 0.85 59.85 20 89.4 4.9 4.686E-03 3320561642.75954 126.43 323.0 -37.0 320 1331 C 6 H 1 A 0.90 59.90 20 40.7 67.0 2.276E-03 3320561648.07204 126.43 274.3 -85.7 320 1331 C 6 H 1 A 0.95 59.95 20 126.3 37.6 6.088E-03 3320561653.40016 126.43 359.9 -0.1 320 1331 C 6 H 1 A 1.00 60.00 20 95.6 9.1 4.426E-03 3320561658.72829 126.43 329.2 -30.8 320 1331 C 6 H 1 A 1.05 60.05 20 81.7 2.4 2.337E-03 3320561664.04079 126.43 315.3 -44.7 320 1331 C 6 H 1 A 1.10 60.10 20 91.1 3.1 2.281E-03 3320561669.36891 126.43 324.7 -35.3 320 1331 C 6 H 1 A 1.15 60.15 20 88.5 10.8 2.512E-03 3320561674.69704 126.43 322.1 -37.9 320 1331 C 6 H 1 A 1.20 60.20 20 89.7 4.5 3.071E-03 3320561680.02516 126.43 323.3 -36.7 320 1331 C 6 H 1 A 1.25 60.25 20 91.2 4.5 3.920E-03 3320561685.35329 126.43 324.8 -35.2 320 1331 C 6 H 1 A 1.30 60.30 20 94.0 6.5 3.433E-03 3320561690.66579 126.43 327.6 -32.4 320 1331 C 6 H 1 A 1.35 60.35 20 100.3 -6.7 3.294E-03 3320561695.99391 126.43 333.9 -26.1 320 1331 C 6 H 1 A 1.40 60.40 20 89.7 -10.5 3.780E-03 3320561701.32204 126.43 323.3 -36.7 320 1331 C 6 H 2 A 0.10 60.60 20 102.8 -1.2 5.248E-03 3320562565.99391 126.43 336.4 -23.6 320 1331 C 6 H 2 A 0.15 60.65 20 100.9 21.2 2.537E-03 3320562571.30641 126.43 334.5 -25.5 320 1331 C 6 H 2 A 0.20 60.70 20 98.9 32.1 6.556E-03 3320562576.63454 126.43 332.5 -27.5 320 1331 C 6 H 2 A 0.25 60.75 20 126.5 3.3 3.189E-03 3320562581.96266 126.43 0.1 0.1 320 1331 C 6 H 2 A 0.30 60.80 20 296.1 -25.4 1.916E-02 3320562587.29079 126.43 169.7 169.7 320 1331 C 6 H 2 A 0.35 60.85 20 93.8 -28.8 1.843E-02 3320562592.61891 126.43 327.4 -32.6 320 1331 C 6 H 2 A 0.40 60.90 20 112.0 -11.3 6.484E-03 3320562597.93141 126.43 345.6 -14.4 320 1331 C 6 H 2 A 0.45 60.95 20 127.4 4.5 1.925E-03 3320562603.25954 126.43 1.0 1.0 320 1331 C 6 H 2 A 0.50 61.00 20 96.3 13.2 1.754E-03 3320562608.57204 126.43 329.9 -30.1 320 1331 C 6 H 2 A 0.55 61.05 20 104.8 -0.9 2.252E-03 3320562613.90016 126.43 338.4 -21.6 320 1331 C 6 H 2 A 0.60 61.10 20 124.8 -1.6 1.967E-03 3320562619.22829 126.43 358.4 -1.6 320 1331 C 6 H 2 A 0.65 61.15 20 82.6 -16.0 3.422E-03 3320562624.55641 126.43 316.2 -43.8 320 1331 C 6 H 2 A 0.70 61.20 20 89.7 4.9 4.158E-03 3320562629.88454 126.43 323.3 -36.7 320 1331 C 6 H 2 A 0.75 61.25 20 110.7 5.3 3.501E-03 3320562635.19704 126.43 344.3 -15.7 320 1331 C 6 H 2 A 0.80 61.30 20 132.6 -1.2 4.185E-03 3320562640.52516 126.43 6.2 6.2 320 1331 C 6 H 2 A 0.85 61.35 20 109.8 28.9 9.986E-04 3320562645.85329 126.43 343.4 -16.6 320 1331 C 6 H 2 A 0.90 61.40 20 219.4 -30.4 6.237E-04 3320562651.16579 126.43 93.0 93.0 320 1331 C 6 H 2 A 0.95 61.45 20 109.2 -32.9 6.915E-03 3320562656.49391 126.43 342.8 -17.2 320 1331 C 6 H 2 A 1.00 61.50 20 86.3 -6.8 2.064E-02 3320562661.82204 126.43 319.9 -40.1 320 1331 C 6 H 2 A 1.05 61.55 20 106.4 7.1 3.412E-03 3320562667.15016 126.43 340.0 -20.0 320 1331 C 6 H 2 A 1.10 61.60 20 188.5 13.1 8.524E-04 3320562672.47829 126.43 62.1 62.1 320 1331 C 6 H 2 A 1.15 61.65 20 127.5 18.9 6.779E-04 3320562677.79079 126.43 1.1 1.1 320 1331 C 6 H 2 A 1.20 61.70 20 140.2 17.2 7.313E-04 3320562683.11891 126.43 13.8 13.8 320 1331 C 6 H 2 A 1.25 61.75 20 113.5 11.1 8.802E-04 3320562688.44704 126.43 347.1 -12.9 320 1331 C 6 H 2 A 1.30 61.80 20 105.6 8.4 9.981E-04 3320562693.77516 126.43 339.2 -20.8 320 1331 C 6 H 2 A 1.35 61.85 20 98.1 -41.1 6.144E-04 3320562699.10329 126.43 331.7 -28.3 320 1331 C 6 H 2 A 1.40 61.90 20 230.6 -56.8 1.830E-03 3320562704.41579 126.43 104.2 104.2 320 1331 C 6 H 3 A 0.10 62.10 20 294.9 5.4 3.106E-03 3320563561.52516 126.43 168.5 168.5 320 1331 C 6 H 3 A 0.15 62.15 20 297.3 5.2 3.006E-03 3320563566.85329 126.43 170.9 170.9 320 1331 C 6 H 3 A 0.20 62.20 20 297.6 5.0 2.388E-03 3320563572.16579 126.43 171.2 171.2 320 1331 C 6 H 3 A 0.25 62.25 20 300.9 5.3 1.411E-03 3320563577.49391 126.43 174.5 174.5 320 1331 C 6 H 3 A 0.30 62.30 20 296.5 1.7 2.210E-03 3320563582.82204 126.43 170.1 170.1 320 1331 C 6 H 3 A 0.35 62.35 20 299.1 3.6 3.427E-03 3320563588.15016 126.43 172.7 172.7 320 1331 C 6 H 3 A 0.40 62.40 20 296.6 5.4 4.089E-03 3320563593.47829 126.43 170.2 170.2 320 1331 C 6 H 3 A 0.45 62.45 20 294.1 2.9 3.939E-03 3320563598.80641 126.43 167.7 167.7 320 1331 C 6 H 3 A 0.50 62.50 20 296.9 -1.0 3.755E-03 3320563604.11891 126.43 170.5 170.5 320 1331 C 6 H 3 A 0.55 62.55 20 304.6 -0.1 3.907E-03 3320563609.44704 126.43 178.2 178.2 320 1331 C 6 H 3 A 0.60 62.60 20 298.8 0.0 4.115E-03 3320563614.77516 126.43 172.4 172.4 320 1331 C 6 H 3 A 0.65 62.65 20 297.5 -0.1 4.360E-03 3320563620.10329 126.43 171.1 171.1 320 1331 C 6 H 3 A 0.70 62.70 20 298.0 -1.0 4.320E-03 3320563625.43141 126.43 171.6 171.6 320 1331 C 6 H 3 A 0.75 62.75 20 293.7 -2.7 3.684E-03 3320563630.75954 126.43 167.3 167.3 320 1331 C 6 H 3 A 0.80 62.80 20 295.7 -6.7 3.837E-03 3320563636.08766 126.43 169.3 169.3 320 1331 C 6 H 3 A 0.85 62.85 20 297.4 -4.1 3.910E-03 3320563641.40016 126.43 171.0 171.0 320 1331 C 6 H 3 A 0.90 62.90 20 300.5 -9.1 1.398E-03 3320563646.72829 126.43 174.1 174.1 320 1331 C 6 H 3 A 0.95 62.95 20 208.8 -22.2 2.718E-04 3320563652.05641 126.43 82.4 82.4 320 1331 C 6 H 3 A 1.00 63.00 20 296.1 -7.8 8.730E-04 3320563657.38454 126.43 169.7 169.7 320 1331 C 6 H 3 A 1.05 63.05 20 284.6 -6.4 5.730E-03 3320563662.69704 126.43 158.2 158.2 320 1331 C 6 H 3 A 1.10 63.10 20 283.9 -6.1 6.764E-03 3320563668.02516 126.43 157.5 157.5 320 1331 C 6 H 3 A 1.15 63.15 20 284.4 -6.7 6.490E-03 3320563673.35329 126.43 158.0 158.0 320 1331 C 6 H 3 A 1.20 63.20 20 288.4 -7.0 5.014E-03 3320563678.68141 126.43 162.0 162.0 320 1331 C 6 H 3 A 1.25 63.25 20 287.0 -6.8 4.520E-03 3320563684.00954 126.43 160.6 160.6 320 1331 C 6 H 3 A 1.30 63.30 20 286.7 -7.0 4.688E-03 3320563689.33766 126.43 160.3 160.3 320 1331 C 6 H 3 A 1.35 63.35 20 288.8 -4.7 5.101E-03 3320563694.65016 126.43 162.4 162.4 320 1331 C 6 H 3 A 1.40 63.40 20 294.5 -2.5 4.149E-03 3320563699.97829 126.43 168.1 168.1 320 1331 C 6 H 4 A 0.10 63.60 20 324.1 -10.4 5.108E-03 3320565023.63454 126.43 197.7 197.7 320 1331 C 6 H 4 A 0.15 63.65 20 334.9 -17.7 4.910E-03 3320565028.94704 126.43 208.5 208.5 320 1331 C 6 H 4 A 0.20 63.70 20 330.1 -18.0 4.327E-03 3320565034.27516 126.43 203.7 203.7 320 1331 C 6 H 4 A 0.25 63.75 20 314.5 -13.6 3.114E-03 3320565039.60329 126.43 188.1 188.1 320 1331 C 6 H 4 A 0.30 63.80 20 311.0 -14.1 2.966E-03 3320565044.93141 126.43 184.6 184.6 320 1331 C 6 H 4 A 0.35 63.85 20 311.4 -13.4 3.405E-03 3320565050.25954 126.43 185.0 185.0 320 1331 C 6 H 4 A 0.40 63.90 20 311.9 -6.6 3.607E-03 3320565055.58766 126.43 185.5 185.5 320 1331 C 6 H 4 A 0.45 63.95 20 314.4 -2.7 3.725E-03 3320565060.90016 126.43 188.0 188.0 320 1331 C 6 H 4 A 0.50 64.00 20 311.4 2.3 3.249E-03 3320565066.22829 126.43 185.0 185.0 320 1331 C 6 H 4 A 0.55 64.05 20 307.1 9.1 2.634E-03 3320565071.55641 126.43 180.7 180.7 320 1331 C 6 H 4 A 0.60 64.10 20 311.4 8.2 3.294E-03 3320565076.88454 126.43 185.0 185.0 320 1331 C 6 H 4 A 0.65 64.15 20 314.6 10.6 3.599E-03 3320565082.19704 126.43 188.2 188.2 320 1331 C 6 H 4 A 0.70 64.20 20 315.7 15.8 2.859E-03 3320565087.52516 126.43 189.3 189.3 320 1331 C 6 H 4 A 0.75 64.25 20 318.1 15.3 2.919E-03 3320565092.85329 126.43 191.7 191.7 320 1331 C 6 H 4 A 0.80 64.30 20 318.3 12.6 3.096E-03 3320565098.16579 126.43 191.9 191.9 320 1331 C 6 H 4 A 0.85 64.35 20 317.2 3.1 3.140E-03 3320565103.49391 126.43 190.8 190.8 320 1331 C 6 H 4 A 0.90 64.40 20 332.1 5.3 2.149E-03 3320565108.82204 126.43 205.7 205.7 320 1331 C 6 H 4 A 0.95 64.45 20 309.1 3.2 2.326E-03 3320565114.15016 126.43 182.7 182.7 320 1331 C 6 H 4 A 1.00 64.50 20 308.8 -1.7 3.502E-03 3320565119.47829 126.43 182.4 182.4 320 1331 C 6 H 4 A 1.05 64.55 20 313.5 -1.1 3.705E-03 3320565124.80641 126.43 187.1 187.1 320 1331 C 6 H 4 A 1.10 64.60 20 312.4 -0.9 3.466E-03 3320565130.11891 126.43 186.0 186.0 320 1331 C 6 H 4 A 1.15 64.65 20 312.2 -2.5 3.332E-03 3320565135.44704 126.43 185.8 185.8 320 1331 C 6 H 4 A 1.20 64.70 20 317.8 -4.7 4.180E-03 3320565140.77516 126.43 191.4 191.4 320 1331 C 6 H 4 A 1.25 64.75 20 319.1 -2.9 4.228E-03 3320565146.10329 126.43 192.7 192.7 320 1331 C 6 H 4 A 1.30 64.80 20 321.1 1.7 4.366E-03 3320565151.41579 126.43 194.7 194.7 320 1331 C 6 H 4 A 1.35 64.85 20 317.5 5.4 4.553E-03 3320565156.74391 126.43 191.1 191.1 320 1331 C 6 H 4 A 1.40 64.90 20 317.9 4.6 5.402E-03 3320565162.07204 126.43 191.5 191.5 320 1331 C 6 H 5 A 0.10 65.10 20 317.7 4.8 5.308E-03 3320565880.71266 126.43 191.3 191.3 320 1331 C 6 H 5 A 0.15 65.15 20 319.4 4.3 4.474E-03 3320565886.04079 126.43 193.0 193.0 320 1331 C 6 H 5 A 0.20 65.20 20 317.5 5.8 3.402E-03 3320565891.36891 126.43 191.1 191.1 320 1331 C 6 H 5 A 0.25 65.25 20 315.4 5.0 3.673E-03 3320565896.69704 126.43 189.0 189.0 320 1331 C 6 H 5 A 0.30 65.30 20 314.7 3.3 3.724E-03 3320565902.02516 126.43 188.3 188.3 320 1331 C 6 H 5 A 0.35 65.35 20 315.9 -2.3 3.719E-03 3320565907.33766 126.43 189.5 189.5 320 1331 C 6 H 5 A 0.40 65.40 20 315.3 -1.6 4.056E-03 3320565912.66579 126.43 188.9 188.9 320 1331 C 6 H 5 A 0.45 65.45 20 316.5 -10.9 3.570E-03 3320565917.99391 126.43 190.1 190.1 320 1331 C 6 H 5 A 0.50 65.50 20 316.5 -10.7 3.338E-03 3320565923.30641 126.43 190.1 190.1 320 1331 C 6 H 5 A 0.55 65.55 20 306.3 -6.0 4.392E-03 3320565928.63454 126.43 179.9 179.9 320 1331 C 6 H 5 A 0.60 65.60 20 306.8 -5.8 3.725E-03 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3320565992.50954 126.43 192.0 192.0 320 1331 C 6 H 5 A 1.20 66.20 20 309.1 -4.2 3.785E-03 3320565997.83766 126.43 182.7 182.7 320 1331 C 6 H 5 A 1.25 66.25 20 311.1 -4.1 3.427E-03 3320566003.16579 126.43 184.7 184.7 320 1331 C 6 H 5 A 1.30 66.30 20 315.3 -2.3 3.577E-03 3320566008.49391 126.43 188.9 188.9 320 1331 C 6 H 5 A 1.35 66.35 20 316.6 1.9 4.114E-03 3320566013.82204 126.43 190.2 190.2 320 1331 C 6 H 5 A 1.40 66.40 20 315.6 0.4 4.587E-03 3320566019.13454 126.43 189.2 189.2 320 1331 C 6 H 6 A 0.10 66.60 20 323.1 -4.9 4.894E-03 3320566620.96266 126.43 196.7 196.7 320 1331 C 6 H 6 A 0.15 66.65 20 323.4 -5.0 4.801E-03 3320566626.29079 126.43 197.0 197.0 320 1331 C 6 H 6 A 0.20 66.70 20 322.6 -7.5 4.906E-03 3320566631.61891 126.43 196.2 196.2 320 1331 C 6 H 6 A 0.25 66.75 20 321.4 -6.7 5.263E-03 3320566636.94704 126.43 195.0 195.0 320 1331 C 6 H 6 A 0.30 66.80 20 321.6 -6.8 4.887E-03 3320566642.25954 126.43 195.2 195.2 320 1331 C 6 H 6 A 0.35 66.85 20 321.7 -7.8 3.911E-03 3320566647.58766 126.43 195.3 195.3 320 1331 C 6 H 6 A 0.40 66.90 20 320.1 -8.0 3.060E-03 3320566652.91579 126.43 193.7 193.7 320 1331 C 6 H 6 A 0.45 66.95 20 322.2 -6.0 1.746E-03 3320566658.24391 126.43 195.8 195.8 320 1331 C 6 H 6 A 0.50 67.00 20 322.3 -9.8 1.564E-03 3320566663.57204 126.43 195.9 195.9 320 1331 C 6 H 6 A 0.55 67.05 20 316.5 -15.7 2.714E-03 3320566668.88454 126.43 190.1 190.1 320 1331 C 6 H 6 A 0.60 67.10 20 315.3 -8.7 4.286E-03 3320566674.21266 126.43 188.9 188.9 320 1331 C 6 H 6 A 0.65 67.15 20 315.8 -8.9 4.159E-03 3320566679.54079 126.43 189.4 189.4 320 1331 C 6 H 6 A 0.70 67.20 20 318.5 -6.9 4.361E-03 3320566684.86891 126.43 192.1 192.1 320 1331 C 6 H 6 A 0.75 67.25 20 320.9 -5.6 4.458E-03 3320566690.18141 126.43 194.5 194.5 320 1331 C 6 H 6 A 0.80 67.30 20 320.5 -5.2 3.773E-03 3320566695.50954 126.43 194.1 194.1 320 1331 C 6 H 6 A 0.85 67.35 20 320.7 -4.0 2.885E-03 3320566700.83766 126.43 194.3 194.3 320 1331 C 6 H 6 A 0.90 67.40 20 323.6 -3.5 3.622E-03 3320566706.16579 126.43 197.2 197.2 320 1331 C 6 H 7 A 0.10 67.60 20 333.1 0.2 5.156E-03 3320567383.90016 126.43 206.7 206.7 320 1331 C 6 H 7 A 0.15 67.65 20 331.2 2.2 3.786E-03 3320567389.22829 126.43 204.8 204.8 320 1331 C 6 H 7 A 0.20 67.70 20 332.7 4.0 3.544E-03 3320567394.54079 126.43 206.3 206.3 320 1331 C 6 H 7 A 0.25 67.75 20 331.1 3.7 3.633E-03 3320567399.86891 126.43 204.7 204.7 320 1331 C 6 H 7 A 0.30 67.80 20 325.6 3.1 2.966E-03 3320567405.19704 126.43 199.2 199.2 320 1331 C 6 H 7 A 0.35 67.85 20 328.8 0.9 2.776E-03 3320567410.52516 126.43 202.4 202.4 320 1331 C 6 H 7 A 0.40 67.90 20 328.1 -0.3 2.861E-03 3320567415.85329 126.43 201.7 201.7 320 1331 C 6 H 7 A 0.45 67.95 20 328.0 -0.9 3.071E-03 3320567421.16579 126.43 201.6 201.6 320 1331 C 6 H 7 A 0.50 68.00 20 328.9 -1.9 3.333E-03 3320567426.49391 126.43 202.5 202.5 320 1331 C 6 H 7 A 0.55 68.05 20 331.6 -1.3 3.125E-03 3320567431.82204 126.43 205.2 205.2 320 1331 C 6 H 7 A 0.60 68.10 20 329.3 1.8 2.818E-03 3320567437.15016 126.43 202.9 202.9 320 1331 C 6 H 7 A 0.65 68.15 20 326.4 3.8 3.280E-03 3320567442.47829 126.43 200.0 200.0 320 1331 C 6 H 7 A 0.70 68.20 20 329.8 4.6 4.523E-03 3320567447.80641 126.43 203.4 203.4 320 1331 C 8 H 2 A 0.10 94.10 20 109.8 57.7 1.593E-03 3320569946.30641 214.51 255.3 255.3 320 1331 C 8 H 2 A 0.15 94.15 20 336.3 45.4 6.404E-04 3320569951.61891 214.51 121.8 121.8 320 1331 C 8 H 2 A 0.20 94.20 20 352.8 67.8 6.126E-04 3320569956.94704 214.51 138.3 138.3 320 1331 C 8 H 2 A 0.25 94.25 20 152.2 85.0 5.786E-04 3320569962.27516 214.51 297.7 -62.3 320 1331 C 8 H 2 A 0.30 94.30 20 123.1 71.9 5.985E-04 3320569967.60329 214.51 268.6 268.6 320 1331 C 8 H 2 A 0.35 94.35 20 53.4 71.1 6.490E-04 3320569972.93141 214.51 198.9 198.9 320 1331 C 8 H 2 A 0.40 94.40 20 111.6 69.7 8.335E-04 3320569978.24391 214.51 257.1 257.1 320 1331 C 8 H 2 A 0.45 94.45 20 119.0 51.3 8.216E-04 3320569983.57204 214.51 264.5 264.5 320 1331 C 8 H 2 A 0.50 94.50 20 132.5 54.0 5.690E-04 3320569988.90016 214.51 278.0 -82.0 320 1331 C 8 H 2 A 0.55 94.55 20 163.1 64.0 5.011E-04 3320569994.22829 214.51 308.6 -51.4 320 1331 C 8 H 2 A 0.60 94.60 20 157.7 65.4 5.056E-04 3320569999.54079 214.51 303.2 -56.8 320 1331 C 8 H 2 A 0.65 94.65 20 142.2 53.0 5.727E-04 3320570004.86891 214.51 287.7 -72.3 320 1331 C 8 H 2 A 0.70 94.70 20 153.1 54.7 5.056E-04 3320570010.19704 214.51 298.6 -61.4 320 1331 C 8 H 2 A 0.75 94.75 20 185.6 49.4 4.618E-04 3320570015.52516 214.51 331.1 -28.9 320 1331 C 8 H 3 A 0.10 95.60 20 289.6 -9.5 1.051E-03 3320570865.22829 214.51 75.1 75.1 320 1331 C 8 H 3 A 0.15 95.65 20 306.4 7.3 9.206E-04 3320570870.55641 214.51 91.9 91.9 320 1331 C 8 H 3 A 0.20 95.70 20 189.5 55.4 2.541E-04 3320570875.88454 214.51 335.0 -25.0 320 1331 C 8 H 3 A 0.25 95.75 20 138.1 34.3 3.495E-04 3320570881.21266 214.51 283.6 -76.4 320 1331 C 8 H 3 A 0.30 95.80 20 184.5 41.0 2.977E-04 3320570886.52516 214.51 330.0 -30.0 320 1331 C 8 H 3 A 0.35 95.85 20 185.5 45.1 3.130E-04 3320570891.85329 214.51 331.0 -29.0 320 1331 C 8 H 3 A 0.40 95.90 20 186.0 47.8 2.679E-04 3320570897.18141 214.51 331.5 -28.5 320 1331 C 8 H 3 A 0.45 95.95 20 192.1 48.4 2.686E-04 3320570902.49391 214.51 337.6 -22.4 320 1331 C 8 H 3 A 0.50 96.00 20 187.7 49.1 2.613E-04 3320570907.82204 214.51 333.2 -26.8 320 1331 C 8 H 3 A 0.55 96.05 20 237.8 37.6 2.329E-04 3320570913.15016 214.51 23.3 23.3 320 1331 C 8 H 3 A 0.60 96.10 20 267.8 -14.3 1.735E-04 3320570918.47829 214.51 53.3 53.3 320 1331 C 8 H 3 A 0.65 96.15 20 105.1 7.9 1.718E-04 3320570923.79079 214.51 250.6 250.6 320 1331 C 8 H 3 A 0.70 96.20 20 188.3 30.0 2.226E-04 3320570929.11891 214.51 333.8 -26.2 320 1331 C 8 H 3 A 0.75 96.25 20 227.7 6.1 3.555E-04 3320570934.44704 214.51 13.2 13.2 320 1331 C 8 H 3 A 0.80 96.30 20 257.7 7.7 2.875E-04 3320570939.77516 214.51 43.2 43.2 320 1331 C 8 H 3 A 0.85 96.35 20 163.9 -17.0 1.213E-03 3320570945.10329 214.51 309.4 -50.6 320 1331 C 8 H 3 A 0.90 96.40 20 155.0 -42.9 2.609E-03 3320570950.41579 214.51 300.5 -59.5 320 1331 C 8 H 3 A 0.95 96.45 20 302.7 -21.6 1.254E-03 3320570955.74391 214.51 88.2 88.2 320 1331 C 8 H 3 A 1.00 96.50 20 287.8 21.8 2.579E-04 3320570961.07204 214.51 73.3 73.3 320 1331 C 8 H 3 A 1.05 96.55 20 200.5 51.8 2.047E-04 3320570966.40016 214.51 346.0 -14.0 320 1331 C 8 H 3 A 1.10 96.60 20 242.8 71.8 2.232E-04 3320570971.72829 214.51 28.3 28.3 320 1331 C 8 H 3 A 1.15 96.65 20 215.5 50.4 2.557E-04 3320570977.05641 214.51 1.0 1.0 320 1331 C 8 H 3 A 1.20 96.70 20 213.0 49.0 2.395E-04 3320570982.36891 214.51 358.5 -1.5 320 1331 C 8 H 3 A 1.25 96.75 20 195.5 46.1 2.361E-04 3320570987.69704 214.51 341.0 -19.0 320 1331 C 8 H 3 A 1.30 96.80 20 168.6 28.5 2.398E-04 3320570993.02516 214.51 314.1 -45.9 320 1331 C 8 H 3 A 1.35 96.85 20 165.1 30.8 2.063E-04 3320570998.35329 214.51 310.6 -49.4 320 1331 C 8 H 3 A 1.40 96.90 20 204.6 33.5 1.970E-04 3320571003.68141 214.51 350.1 -9.9 320 1331 C 8 H 4 A 0.10 97.10 20 211.4 28.2 2.495E-04 3320574544.88454 214.51 356.9 -3.1 320 1331 C 8 H 4 A 0.15 97.15 20 211.3 36.9 2.817E-04 3320574550.21266 214.51 356.8 -3.2 320 1331 C 8 H 4 A 0.20 97.20 20 276.6 72.5 4.264E-04 3320574555.54079 214.51 62.1 62.1 320 1331 C 8 H 4 A 0.30 97.30 20 174.0 46.2 3.064E-04 3320574566.19704 214.51 319.5 -40.5 320 1331 C 8 H 4 A 0.35 97.35 20 222.8 45.4 1.880E-04 3320574571.52516 214.51 8.3 8.3 320 1331 C 8 H 4 A 0.40 97.40 20 215.8 38.7 2.529E-04 3320574576.83766 214.51 1.3 1.3 320 1331 C 8 H 4 A 0.45 97.45 20 206.0 32.5 2.974E-04 3320574582.16579 214.51 351.5 -8.5 320 1331 C 8 H 4 A 0.50 97.50 20 206.3 33.1 2.761E-04 3320574587.49391 214.51 351.8 -8.2 320 1331 C 8 H 4 A 0.55 97.55 20 201.8 33.3 2.639E-04 3320574592.80641 214.51 347.3 -12.7 320 1331 C 8 H 4 A 0.60 97.60 20 203.8 34.1 2.726E-04 3320574598.13454 214.51 349.3 -10.7 320 1331 C 8 H 4 A 0.65 97.65 20 204.1 40.5 2.721E-04 3320574603.46266 214.51 349.6 -10.4 320 1331 C 8 H 4 A 0.70 97.70 20 203.1 42.0 2.842E-04 3320574608.79079 214.51 348.6 -11.4 320 1331 C 8 H 4 A 0.75 97.75 20 199.6 37.3 2.943E-04 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0.55 99.05 20 215.9 43.8 3.545E-04 3320575442.38454 214.51 1.4 1.4 320 1331 C 8 H 5 A 0.60 99.10 20 216.9 39.9 3.382E-04 3320575447.71266 214.51 2.4 2.4 320 1331 C 8 H 5 A 0.65 99.15 20 219.6 40.6 3.276E-04 3320575453.04079 214.51 5.1 5.1 320 1331 C 8 H 5 A 0.70 99.20 20 218.0 37.4 3.349E-04 3320575458.36891 214.51 3.5 3.5 320 1331 C 8 H 5 A 0.75 99.25 20 219.3 30.5 3.391E-04 3320575463.68141 214.51 4.8 4.8 320 1331 C 8 H 5 A 0.80 99.30 20 220.2 34.6 3.331E-04 3320575469.00954 214.51 5.7 5.7 320 1331 C 8 H 5 A 0.85 99.35 20 215.4 39.2 3.370E-04 3320575474.33766 214.51 0.9 0.9 320 1331 C 8 H 5 A 0.90 99.40 20 219.7 38.3 3.473E-04 3320575479.65016 214.51 5.2 5.2 320 1331 C 8 H 5 A 0.95 99.45 20 224.1 40.1 3.433E-04 3320575484.97829 214.51 9.6 9.6 320 1331 C 8 H 5 A 1.00 99.50 20 221.6 39.7 3.575E-04 3320575490.30641 214.51 7.1 7.1 320 1331 C 8 H 5 A 1.05 99.55 20 220.0 40.3 3.691E-04 3320575495.63454 214.51 5.5 5.5 320 1331 C 8 H 5 A 1.10 99.60 20 210.8 42.9 3.688E-04 3320575500.94704 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100.90 20 208.7 53.2 2.831E-04 3320576233.71266 214.51 354.2 -5.8 320 1331 C 8 H 7 A 0.10 101.10 20 230.6 38.9 1.826E-04 3320576845.47829 214.51 16.1 16.1 320 1331 C 8 H 7 A 0.15 101.15 20 212.7 51.2 1.569E-04 3320576850.80641 214.51 358.2 -1.8 320 1331 C 8 H 7 A 0.20 101.20 20 233.4 43.1 1.703E-04 3320576856.11891 214.51 18.9 18.9 320 1331 C 8 H 7 A 0.25 101.25 20 237.3 41.4 1.955E-04 3320576861.44704 214.51 22.8 22.8 320 1331 C 8 H 7 A 0.30 101.30 20 225.2 40.9 1.906E-04 3320576866.77516 214.51 10.7 10.7 320 1331 C 8 H 7 A 0.35 101.35 20 215.4 26.9 2.133E-04 3320576872.10329 214.51 0.9 0.9 320 1331 C 8 H 7 A 0.40 101.40 20 213.1 18.2 2.454E-04 3320576877.41579 214.51 358.6 -1.4 320 1331 C 8 H 7 A 0.45 101.45 20 223.1 33.6 2.024E-04 3320576882.74391 214.51 8.6 8.6 320 1331 C 10 H 1 A 0.75 103.25 20 208.1 -11.2 4.160E-04 3320578216.60329 262.94 305.2 -54.8 320 1331 C 10 H 1 A 0.80 103.30 20 195.7 2.2 4.662E-04 3320578221.93141 262.94 292.8 -67.2 320 1331 C 10 H 1 A 0.85 103.35 20 231.9 -6.2 6.350E-04 3320578227.24391 262.94 329.0 -31.0 320 1331 C 10 H 1 A 0.90 103.40 20 233.3 -40.2 1.495E-03 3320578232.57204 262.94 330.4 -29.6 320 1331 C 10 H 1 A 0.95 103.45 20 133.5 -16.8 1.735E-03 3320578237.90016 262.94 230.6 230.6 320 1331 C 10 H 1 A 1.00 103.50 20 201.5 16.7 1.331E-03 3320578243.22829 262.94 298.6 -61.4 320 1331 C 10 H 1 A 1.05 103.55 20 197.5 6.0 1.339E-03 3320578248.54079 262.94 294.6 -65.4 320 1331 C 10 H 1 A 1.10 103.60 20 211.8 6.2 1.265E-03 3320578253.86891 262.94 308.9 -51.1 320 1331 C 10 H 1 A 1.15 103.65 20 221.6 -7.0 1.447E-03 3320578259.19704 262.94 318.7 -41.3 320 1331 C 10 H 1 A 1.20 103.70 20 229.4 2.7 1.463E-03 3320578264.52516 262.94 326.5 -33.5 320 1331 C 10 H 1 A 1.25 103.75 20 228.1 -12.4 1.612E-03 3320578269.85329 262.94 325.2 -34.8 320 1331 C 10 H 1 A 1.30 103.80 20 194.2 -10.3 1.585E-03 3320578275.16579 262.94 291.3 -68.7 320 1331 C 10 H 1 A 1.35 103.85 20 213.8 2.6 1.460E-03 3320578280.49391 262.94 310.9 -49.1 320 1331 C 10 H 1 A 1.40 103.90 20 226.5 1.8 1.757E-03 3320578285.82204 262.94 323.6 -36.4 320 1331 C 10 H 2 A 0.10 104.10 20 234.6 8.0 1.230E-03 3320579011.47829 262.94 331.7 -28.3 320 1331 C 10 H 2 A 0.15 104.15 20 235.5 9.4 1.278E-03 3320579016.80641 262.94 332.6 -27.4 320 1331 C 10 H 2 A 0.20 104.20 20 238.2 8.4 1.513E-03 3320579022.11891 262.94 335.3 -24.7 320 1331 C 10 H 2 A 0.25 104.25 20 241.3 7.9 1.558E-03 3320579027.44704 262.94 338.4 -21.6 320 1331 C 10 H 2 A 0.30 104.30 20 243.2 22.7 1.256E-03 3320579032.77516 262.94 340.3 -19.7 320 1331 C 10 H 2 A 0.35 104.35 20 228.2 17.3 9.481E-04 3320579038.10329 262.94 325.3 -34.7 320 1331 C 10 H 2 A 0.40 104.40 20 232.3 11.6 7.480E-04 3320579043.41579 262.94 329.4 -30.6 320 1331 C 10 H 2 A 0.45 104.45 20 238.5 11.3 5.255E-04 3320579048.74391 262.94 335.6 -24.4 320 1331 C 10 H 2 A 0.50 104.50 20 239.8 9.3 6.561E-04 3320579054.07204 262.94 336.9 -23.1 320 1331 C 10 H 2 A 0.55 104.55 20 239.0 4.6 7.017E-04 3320579059.40016 262.94 336.1 -23.9 320 1331 C 10 H 2 A 0.60 104.60 20 234.7 -2.6 5.793E-04 3320579064.72829 262.94 331.8 -28.2 320 1331 C 10 H 2 A 0.65 104.65 20 247.7 -33.0 6.725E-04 3320579070.04079 262.94 344.8 -15.2 320 1331 C 10 H 2 A 0.70 104.70 20 264.9 -17.6 4.968E-04 3320579075.36891 262.94 2.0 2.0 320 1331 C 10 H 2 A 0.75 104.75 20 257.3 -5.9 3.100E-04 3320579080.69704 262.94 354.4 -5.6 320 1331 C 10 H 2 A 0.80 104.80 20 243.0 22.7 4.169E-04 3320579086.02516 262.94 340.1 -19.9 320 1331 C 10 H 2 A 0.85 104.85 20 246.8 2.2 3.743E-04 3320579091.35329 262.94 343.9 -16.1 320 1331 C 10 H 2 A 0.90 104.90 20 248.5 3.2 4.563E-04 3320579096.66579 262.94 345.6 -14.4 320 1331 C 10 H 2 A 0.95 104.95 20 246.3 5.9 5.272E-04 3320579101.99391 262.94 343.4 -16.6 320 1331 C 10 H 2 A 1.00 105.00 20 254.5 9.0 3.586E-04 3320579107.32204 262.94 351.6 -8.4 320 1331 C 10 H 2 A 1.05 105.05 20 277.2 45.2 1.199E-04 3320579112.65016 262.94 14.3 14.3 320 1331 C 10 H 2 A 1.10 105.10 20 252.2 3.2 1.883E-03 3320579117.97829 262.94 349.3 -10.7 320 1331 C 10 H 2 A 1.15 105.15 20 247.4 1.0 4.831E-03 3320579123.29079 262.94 344.5 -15.5 320 1331 C 10 H 2 A 1.20 105.20 20 246.3 1.7 4.153E-03 3320579128.61891 262.94 343.4 -16.6 320 1331 C 10 H 2 A 1.25 105.25 20 248.7 1.7 3.702E-03 3320579133.94704 262.94 345.8 -14.2 320 1331 C 10 H 2 A 1.30 105.30 20 247.8 2.0 3.180E-03 3320579139.27516 262.94 344.9 -15.1 320 1331 C 10 H 2 A 1.35 105.35 20 246.2 2.9 2.257E-03 3320579144.58766 262.94 343.3 -16.7 320 1331 C 10 H 2 A 1.40 105.40 20 254.8 4.8 2.007E-03 3320579149.91579 262.94 351.9 -8.1 320 1331 C 10 H 3 A 0.10 105.60 20 247.5 2.7 2.906E-03 3320579915.00954 262.94 344.6 -15.4 320 1331 C 10 H 3 A 0.15 105.65 20 251.8 3.4 2.538E-03 3320579920.33766 262.94 348.9 -11.1 320 1331 C 10 H 3 A 0.20 105.70 20 254.0 4.3 2.022E-03 3320579925.66579 262.94 351.1 -8.9 320 1331 C 10 H 3 A 0.25 105.75 20 260.9 5.2 1.770E-03 3320579930.99391 262.94 358.0 -2.0 320 1331 C 10 H 3 A 0.30 105.80 20 256.5 2.8 1.859E-03 3320579936.32204 262.94 353.6 -6.4 320 1331 C 10 H 3 A 0.35 105.85 20 251.2 2.3 1.392E-03 3320579941.63454 262.94 348.3 -11.7 320 1331 C 10 H 3 A 0.40 105.90 20 252.8 1.9 1.537E-03 3320579946.96266 262.94 349.9 -10.1 320 1331 C 10 H 3 A 0.45 105.95 20 251.9 1.6 1.844E-03 3320579952.29079 262.94 349.0 -11.0 320 1331 C 10 H 3 A 0.50 106.00 20 251.8 3.7 1.855E-03 3320579957.61891 262.94 348.9 -11.1 320 1331 C 10 H 3 A 0.55 106.05 20 254.0 7.4 1.592E-03 3320579962.94704 262.94 351.1 -8.9 320 1331 C 10 H 3 A 0.60 106.10 20 254.6 11.0 1.251E-03 3320579968.25954 262.94 351.7 -8.3 320 1331 C 10 H 3 A 0.65 106.15 20 255.1 8.6 1.455E-03 3320579973.58766 262.94 352.2 -7.8 320 1331 C 10 H 3 A 0.70 106.20 20 255.7 5.6 1.954E-03 3320579978.91579 262.94 352.8 -7.2 320 1331 C 10 H 3 A 0.75 106.25 20 255.7 4.3 2.273E-03 3320579984.24391 262.94 352.8 -7.2 320 1331 C 10 H 3 A 0.80 106.30 20 255.9 5.5 2.110E-03 3320579989.57204 262.94 353.0 -7.0 320 1331 C 10 H 3 A 0.85 106.35 20 256.9 7.0 1.869E-03 3320579994.88454 262.94 354.0 -6.0 320 1331 C 10 H 3 A 0.90 106.40 20 255.4 7.0 1.643E-03 3320580000.21266 262.94 352.5 -7.5 320 1331 C 10 H 3 A 0.95 106.45 20 255.1 6.1 1.114E-03 3320580005.54079 262.94 352.2 -7.8 320 1331 C 10 H 3 A 1.00 106.50 20 243.3 1.1 5.933E-04 3320580010.86891 262.94 340.4 -19.6 320 1331 C 10 H 3 A 1.05 106.55 20 248.1 0.5 2.200E-03 3320580016.19704 262.94 345.2 -14.8 320 1331 C 10 H 3 A 1.10 106.60 20 231.2 2.1 2.902E-03 3320580021.50954 262.94 328.3 -31.7 320 1331 C 10 H 3 A 1.15 106.65 20 237.9 5.2 2.434E-03 3320580026.83766 262.94 335.0 -25.0 320 1331 C 10 H 3 A 1.20 106.70 20 254.2 13.1 1.627E-03 3320580032.16579 262.94 351.3 -8.7 320 1331 C 10 H 3 A 1.25 106.75 20 255.5 12.0 1.801E-03 3320580037.49391 262.94 352.6 -7.4 320 1331 C 10 H 3 A 1.30 106.80 20 255.4 10.7 1.894E-03 3320580042.82204 262.94 352.5 -7.5 320 1331 C 10 H 3 A 1.35 106.85 20 254.6 8.5 1.883E-03 3320580048.15016 262.94 351.7 -8.3 320 1331 C 10 H 3 A 1.40 106.90 20 252.1 8.0 2.146E-03 3320580053.46266 262.94 349.2 -10.8 320 1331 C 10 H 4 A 0.10 107.10 20 266.6 3.9 1.792E-03 3320583634.85329 262.94 3.7 3.7 320 1331 C 10 H 4 A 0.15 107.15 20 264.7 6.0 1.474E-03 3320583640.18141 262.94 1.8 1.8 320 1331 C 10 H 4 A 0.20 107.20 20 266.0 4.1 1.295E-03 3320583645.50954 262.94 3.1 3.1 320 1331 C 10 H 4 A 0.25 107.25 20 268.3 5.7 1.502E-03 3320583650.82204 262.94 5.4 5.4 320 1331 C 10 H 4 A 0.30 107.30 20 268.8 11.6 2.101E-03 3320583656.15016 262.94 5.9 5.9 320 1331 C 10 H 4 A 0.35 107.35 20 267.3 11.8 3.251E-03 3320583661.47829 262.94 4.4 4.4 320 1331 C 10 H 4 A 0.40 107.40 20 265.0 15.3 2.790E-03 3320583666.80641 262.94 2.1 2.1 320 1331 C 10 H 4 A 0.45 107.45 20 266.9 12.5 2.479E-03 3320583672.13454 262.94 4.0 4.0 320 1331 C 10 H 4 A 0.50 107.50 20 265.4 2.4 2.012E-03 3320583677.44704 262.94 2.5 2.5 320 1331 C 10 H 4 A 0.55 107.55 20 263.8 -1.6 1.883E-03 3320583682.77516 262.94 0.9 0.9 320 1331 C 10 H 4 A 0.60 107.60 20 261.4 -2.5 1.274E-03 3320583688.10329 262.94 358.5 -1.5 320 1331 C 10 H 4 A 0.65 107.65 20 266.6 0.7 1.254E-03 3320583693.41579 262.94 3.7 3.7 320 1331 C 10 H 4 A 0.70 107.70 20 269.3 5.1 1.260E-03 3320583698.74391 262.94 6.4 6.4 320 1331 C 10 H 4 A 0.75 107.75 20 268.9 3.4 1.203E-03 3320583704.07204 262.94 6.0 6.0 320 1331 C 10 H 4 A 0.80 107.80 20 268.7 2.5 1.343E-03 3320583709.40016 262.94 5.8 5.8 320 1331 C 10 H 4 A 0.85 107.85 20 268.2 7.0 1.579E-03 3320583714.72829 262.94 5.3 5.3 320 1331 C 10 H 4 A 0.90 107.90 20 266.8 11.6 1.996E-03 3320583720.05641 262.94 3.9 3.9 320 1331 C 10 H 4 A 0.95 107.95 20 267.3 12.2 2.113E-03 3320583725.36891 262.94 4.4 4.4 320 1331 C 10 H 4 A 1.00 108.00 20 268.1 12.5 1.761E-03 3320583730.69704 262.94 5.2 5.2 320 1331 C 10 H 4 A 1.05 108.05 20 266.3 11.8 1.631E-03 3320583736.02516 262.94 3.4 3.4 320 1331 C 10 H 4 A 1.10 108.10 20 264.2 10.1 1.560E-03 3320583741.35329 262.94 1.3 1.3 320 1331 C 10 H 4 A 1.15 108.15 20 264.6 10.4 1.249E-03 3320583746.66579 262.94 1.7 1.7 320 1331 C 10 H 4 A 1.20 108.20 20 268.9 8.8 8.738E-04 3320583751.99391 262.94 6.0 6.0 320 1331 C 10 H 4 A 1.25 108.25 20 267.6 7.7 5.205E-04 3320583757.32204 262.94 4.7 4.7 320 1331 C 10 H 4 A 1.30 108.30 20 264.4 4.5 4.258E-04 3320583762.65016 262.94 1.5 1.5 320 1331 C 10 H 4 A 1.35 108.35 20 281.0 6.2 3.485E-04 3320583767.96266 262.94 18.1 18.1 320 1331 C 10 H 4 A 1.40 108.40 20 286.7 6.4 3.631E-04 3320583773.29079 262.94 23.8 23.8 320 1331 C 10 H 5 A 0.10 108.60 20 279.6 4.7 1.393E-03 3320585025.25954 262.94 16.7 16.7 320 1331 C 10 H 5 A 0.15 108.65 20 278.2 3.7 1.272E-03 3320585030.58766 262.94 15.3 15.3 320 1331 C 10 H 5 A 0.20 108.70 20 278.4 0.7 1.185E-03 3320585035.91579 262.94 15.5 15.5 320 1331 C 10 H 5 A 0.25 108.75 20 280.5 -1.9 8.665E-04 3320585041.24391 262.94 17.6 17.6 320 1331 C 10 H 5 A 0.30 108.80 20 282.8 -0.5 5.487E-04 3320585046.57204 262.94 19.9 19.9 320 1331 C 10 H 5 A 0.35 108.85 20 275.8 7.6 6.189E-04 3320585051.90016 262.94 12.9 12.9 320 1331 C 10 H 5 A 0.40 108.90 20 271.0 15.3 7.286E-04 3320585057.21266 262.94 8.1 8.1 320 1331 C 10 H 5 A 0.45 108.95 20 270.8 15.3 9.628E-04 3320585062.54079 262.94 7.9 7.9 320 1331 C 10 H 5 A 0.50 109.00 20 271.1 14.2 1.094E-03 3320585067.86891 262.94 8.2 8.2 320 1331 C 10 H 5 A 0.55 109.05 20 270.0 11.6 1.195E-03 3320585073.19704 262.94 7.1 7.1 320 1331 C 10 H 5 A 0.60 109.10 20 270.3 9.7 1.281E-03 3320585078.52516 262.94 7.4 7.4 320 1331 C 10 H 5 A 0.65 109.15 20 271.9 8.7 1.443E-03 3320585083.83766 262.94 9.0 9.0 320 1331 C 10 H 5 A 0.70 109.20 20 271.3 7.3 1.753E-03 3320585089.16579 262.94 8.4 8.4 320 1331 C 10 H 5 A 0.75 109.25 20 272.8 7.1 1.444E-03 3320585094.49391 262.94 9.9 9.9 320 1331 C 10 H 5 A 0.80 109.30 20 278.5 8.2 1.288E-03 3320585099.82204 262.94 15.6 15.6 320 1331 C 10 H 5 A 0.85 109.35 20 277.9 6.5 1.181E-03 3320585105.15016 262.94 15.0 15.0 320 1331 C 10 H 5 A 0.90 109.40 20 276.7 7.1 1.063E-03 3320585110.46266 262.94 13.8 13.8 320 1331 C 10 H 5 A 0.95 109.45 20 274.5 9.6 1.117E-03 3320585115.79079 262.94 11.6 11.6 320 1331 C 10 H 5 A 1.00 109.50 20 273.0 9.8 1.402E-03 3320585121.11891 262.94 10.1 10.1 320 1331 C 10 H 5 A 1.05 109.55 20 271.8 9.2 1.479E-03 3320585126.44704 262.94 8.9 8.9 320 1331 C 10 H 5 A 1.10 109.60 20 273.0 11.1 1.223E-03 3320585131.77516 262.94 10.1 10.1 320 1331 C 10 H 5 A 1.15 109.65 20 267.6 12.8 1.052E-03 3320585137.08766 262.94 4.7 4.7 320 1331 C 10 H 5 A 1.20 109.70 20 267.9 11.8 1.035E-03 3320585142.41579 262.94 5.0 5.0 320 1331 C 10 H 5 A 1.25 109.75 20 293.0 71.6 2.224E-04 3320585147.74391 262.94 30.1 30.1 320 1331 C 10 H 5 A 1.30 109.80 20 273.6 27.1 8.781E-04 3320585153.07204 262.94 10.7 10.7 320 1331 C 10 H 5 A 1.35 109.85 20 268.6 16.9 2.240E-03 3320585158.40016 262.94 5.7 5.7 320 1331 C 10 H 5 A 1.40 109.90 20 268.4 10.1 3.800E-03 3320585163.71266 262.94 5.5 5.5 320 1331 C 10 H 6 A 0.10 110.10 20 269.6 6.3 1.752E-03 3320586177.13454 262.94 6.7 6.7 320 1331 C 10 H 6 A 0.15 110.15 20 265.7 10.6 1.550E-03 3320586182.44704 262.94 2.8 2.8 320 1331 C 10 H 6 A 0.20 110.20 20 264.7 9.2 2.097E-03 3320586187.77516 262.94 1.8 1.8 320 1331 C 10 H 6 A 0.25 110.25 20 264.3 8.8 2.148E-03 3320586193.10329 262.94 1.4 1.4 320 1331 C 10 H 6 A 0.30 110.30 20 263.6 8.4 1.471E-03 3320586198.43141 262.94 0.7 0.7 320 1331 C 10 H 6 A 0.35 110.35 20 268.2 8.4 1.073E-03 3320586203.75954 262.94 5.3 5.3 320 1331 C 10 H 6 A 0.40 110.40 20 274.3 8.0 9.927E-04 3320586209.07204 262.94 11.4 11.4 320 1331 C 10 H 6 A 0.45 110.45 20 273.4 6.6 8.623E-04 3320586214.40016 262.94 10.5 10.5 320 1331 C 10 H 6 A 0.50 110.50 20 264.4 9.3 1.008E-03 3320586219.72829 262.94 1.5 1.5 320 1331 C 10 H 6 A 0.55 110.55 20 264.5 8.8 1.308E-03 3320586225.05641 262.94 1.6 1.6 320 1331 C 10 H 6 A 0.60 110.60 20 267.5 5.2 1.628E-03 3320586230.36891 262.94 4.6 4.6 320 1331 C 10 H 6 A 0.65 110.65 20 263.8 6.2 4.808E-04 3320586235.69704 262.94 0.9 0.9 320 1331 C 12 H 1 A 0.10 129.10 20 309.6 -11.3 1.835E-03 3320589492.50954 109.41 200.2 200.2 320 1331 C 12 H 1 A 0.15 129.15 20 310.7 -15.5 1.416E-03 3320589497.83766 109.41 201.3 201.3 320 1331 C 12 H 1 A 0.20 129.20 20 350.3 -13.9 6.886E-04 3320589503.16579 109.41 240.9 240.9 320 1331 C 12 H 1 A 0.25 129.25 20 13.1 9.1 4.656E-04 3320589508.49391 109.41 263.7 263.7 320 1331 C 12 H 1 A 0.30 129.30 20 54.8 2.0 6.973E-04 3320589513.82204 109.41 305.4 -54.6 320 1331 C 12 H 1 A 0.35 129.35 20 312.9 8.3 1.098E-03 3320589519.13454 109.41 203.5 203.5 320 1331 C 12 H 1 A 0.40 129.40 20 300.6 9.8 2.263E-03 3320589524.46266 109.41 191.2 191.2 320 1331 C 12 H 1 A 0.45 129.45 20 302.3 8.6 1.866E-03 3320589529.79079 109.41 192.9 192.9 320 1331 C 12 H 1 A 0.50 129.50 20 311.5 5.8 1.209E-03 3320589535.11891 109.41 202.1 202.1 320 1331 C 12 H 1 A 0.55 129.55 20 325.2 4.7 1.037E-03 3320589540.43141 109.41 215.8 215.8 320 1331 C 12 H 1 A 0.60 129.60 20 357.0 3.5 8.969E-04 3320589545.75954 109.41 247.6 247.6 320 1331 C 12 H 1 A 0.65 129.65 20 4.0 -5.8 6.540E-04 3320589551.07204 109.41 254.6 254.6 320 1331 C 12 H 1 A 0.70 129.70 20 0.3 -12.6 5.588E-04 3320589556.40016 109.41 250.9 250.9 320 1331 C 12 H 1 A 0.75 129.75 20 34.9 -7.4 4.566E-04 3320589561.72829 109.41 285.5 -74.5 320 1331 C 12 H 1 A 0.80 129.80 20 51.1 -2.5 5.167E-04 3320589567.05641 109.41 301.7 -58.3 320 1331 C 12 H 1 A 0.85 129.85 20 71.1 -0.8 8.685E-04 3320589572.36891 109.41 321.7 -38.3 320 1331 C 12 H 1 A 0.90 129.90 20 33.0 -7.2 4.601E-04 3320589577.69704 109.41 283.6 -76.4 320 1331 C 12 H 1 A 0.95 129.95 20 313.9 -7.6 8.084E-04 3320589583.02516 109.41 204.5 204.5 320 1331 C 12 H 1 A 1.00 130.00 20 314.6 -3.7 9.562E-04 3320589588.35329 109.41 205.2 205.2 320 1331 C 12 H 1 A 1.05 130.05 20 313.6 -4.8 9.718E-04 3320589593.66579 109.41 204.2 204.2 320 1331 C 12 H 1 A 1.10 130.10 20 2.2 -10.4 5.219E-04 3320589598.99391 109.41 252.8 252.8 320 1331 C 12 H 1 A 1.15 130.15 20 57.8 -3.8 7.429E-04 3320589604.32204 109.41 308.4 -51.6 320 1331 C 12 H 1 A 1.20 130.20 20 44.5 1.2 6.405E-04 3320589609.65016 109.41 295.1 -64.9 320 1331 C 12 H 1 A 1.25 130.25 20 45.5 0.2 6.148E-04 3320589614.97829 109.41 296.1 -63.9 320 1331 C 12 H 1 A 1.30 130.30 20 64.5 7.0 6.945E-04 3320589620.29079 109.41 315.1 -44.9 320 1331 C 12 H 1 A 1.35 130.35 20 12.0 26.1 5.284E-04 3320589625.61891 109.41 262.6 262.6 320 1331 C 12 H 1 A 1.40 130.40 20 326.1 17.5 1.108E-03 3320589630.94704 109.41 216.7 216.7 320 1331 C 12 H 2 A 0.10 130.60 20 286.1 -0.4 1.880E-03 3320591360.85329 109.41 176.7 176.7 320 1331 C 12 H 2 A 0.15 130.65 20 285.7 -0.4 1.602E-03 3320591366.18141 109.41 176.3 176.3 320 1331 C 12 H 2 A 0.20 130.70 20 286.4 -2.1 1.031E-03 3320591371.49391 109.41 177.0 177.0 320 1331 C 12 H 2 A 0.25 130.75 20 296.7 -7.5 5.287E-04 3320591376.82204 109.41 187.3 187.3 320 1331 C 12 H 2 A 0.30 130.80 20 308.0 -22.4 2.388E-04 3320591382.15016 109.41 198.6 198.6 320 1331 C 12 H 2 A 0.35 130.85 20 299.6 -8.6 3.984E-04 3320591387.47829 109.41 190.2 190.2 320 1331 C 12 H 2 A 0.40 130.90 20 294.0 -2.9 1.189E-03 3320591392.79079 109.41 184.6 184.6 320 1331 C 12 H 2 A 0.45 130.95 20 293.6 -3.9 1.382E-03 3320591398.11891 109.41 184.2 184.2 320 1331 C 12 H 2 A 0.50 131.00 20 290.7 -4.9 1.483E-03 3320591403.44704 109.41 181.3 181.3 320 1331 C 12 H 2 A 0.55 131.05 20 286.8 -6.4 1.406E-03 3320591408.77516 109.41 177.4 177.4 320 1331 C 12 H 2 A 0.60 131.10 20 284.5 -6.0 1.237E-03 3320591414.10329 109.41 175.1 175.1 320 1331 C 12 H 2 A 0.65 131.15 20 278.7 -4.6 1.080E-03 3320591419.43141 109.41 169.3 169.3 320 1331 C 12 H 2 A 0.70 131.20 20 280.6 -4.5 1.074E-03 3320591424.74391 109.41 171.2 171.2 320 1331 C 12 H 2 A 0.75 131.25 20 285.4 -3.9 1.219E-03 3320591430.07204 109.41 176.0 176.0 320 1331 C 12 H 2 A 0.80 131.30 20 288.6 -2.6 1.486E-03 3320591435.40016 109.41 179.2 179.2 320 1331 C 12 H 2 A 0.85 131.35 20 285.5 -1.1 1.983E-03 3320591440.72829 109.41 176.1 176.1 320 1331 C 12 H 2 A 0.90 131.40 20 286.0 -3.0 2.033E-03 3320591446.04079 109.41 176.6 176.6 320 1331 C 12 H 2 A 0.95 131.45 20 286.4 -4.9 1.802E-03 3320591451.36891 109.41 177.0 177.0 320 1331 C 12 H 2 A 1.00 131.50 20 285.1 -5.6 1.654E-03 3320591456.69704 109.41 175.7 175.7 320 1331 C 12 H 2 A 1.05 131.55 20 282.3 -7.7 1.541E-03 3320591462.02516 109.41 172.9 172.9 320 1331 C 12 H 2 A 1.10 131.60 20 282.3 -13.2 1.647E-03 3320591467.35329 109.41 172.9 172.9 320 1331 C 12 H 2 A 1.15 131.65 20 285.4 -10.2 1.733E-03 3320591472.66579 109.41 176.0 176.0 320 1331 C 12 H 2 A 1.20 131.70 20 287.7 -12.8 1.382E-03 3320591477.99391 109.41 178.3 178.3 320 1331 C 12 H 2 A 1.25 131.75 20 284.6 -13.1 9.183E-04 3320591483.32204 109.41 175.2 175.2 320 1331 C 12 H 2 A 1.30 131.80 20 280.3 -10.3 9.068E-04 3320591488.65016 109.41 170.9 170.9 320 1331 C 12 H 2 A 1.35 131.85 20 285.8 -8.3 1.166E-03 3320591493.97829 109.41 176.4 176.4 320 1331 C 12 H 2 A 1.40 131.90 20 287.2 -3.8 1.788E-03 3320591499.30641 109.41 177.8 177.8 320 1331 C 12 H 3 A 0.10 132.10 20 285.1 -14.3 1.302E-03 3320592259.97829 109.41 175.7 175.7 320 1331 C 12 H 3 A 0.15 132.15 20 286.8 -14.8 1.168E-03 3320592265.29079 109.41 177.4 177.4 320 1331 C 12 H 3 A 0.20 132.20 20 285.2 -10.2 1.206E-03 3320592270.61891 109.41 175.8 175.8 320 1331 C 12 H 3 A 0.25 132.25 20 284.9 -7.2 1.507E-03 3320592275.94704 109.41 175.5 175.5 320 1331 C 12 H 3 A 0.30 132.30 20 286.1 -7.3 1.392E-03 3320592281.27516 109.41 176.7 176.7 320 1331 C 12 H 3 A 0.35 132.35 20 284.0 -7.2 1.090E-03 3320592286.60329 109.41 174.6 174.6 320 1331 C 12 H 3 A 0.40 132.40 20 281.2 -5.7 1.378E-03 3320592291.91579 109.41 171.8 171.8 320 1331 C 12 H 3 A 0.45 132.45 20 282.8 -2.7 1.920E-03 3320592297.24391 109.41 173.4 173.4 320 1331 C 12 H 3 A 0.50 132.50 20 284.7 2.1 2.321E-03 3320592302.57204 109.41 175.3 175.3 320 1331 C 12 H 3 A 0.55 132.55 20 285.0 1.2 2.238E-03 3320592307.90016 109.41 175.6 175.6 320 1331 C 12 H 3 A 0.60 132.60 20 283.3 -1.6 1.662E-03 3320592313.22829 109.41 173.9 173.9 320 1331 C 12 H 3 A 0.65 132.65 20 279.6 -8.8 1.161E-03 3320592318.55641 109.41 170.2 170.2 320 1331 C 12 H 3 A 0.70 132.70 20 288.8 -8.9 1.028E-03 3320592323.86891 109.41 179.4 179.4 320 1331 C 12 H 3 A 0.75 132.75 20 289.0 -7.6 1.048E-03 3320592329.19704 109.41 179.6 179.6 320 1331 C 12 H 3 A 0.80 132.80 20 285.6 -4.8 1.072E-03 3320592334.52516 109.41 176.2 176.2 320 1331 C 12 H 3 A 0.85 132.85 20 284.3 -2.5 1.173E-03 3320592339.85329 109.41 174.9 174.9 320 1331 C 12 H 3 A 0.90 132.90 20 294.3 -5.3 8.825E-04 3320592345.16579 109.41 184.9 184.9 320 1331 C 12 H 3 A 0.95 132.95 20 297.9 -4.3 9.029E-04 3320592350.49391 109.41 188.5 188.5 320 1331 C 12 H 3 A 1.00 133.00 20 289.9 -3.0 1.156E-03 3320592355.82204 109.41 180.5 180.5 320 1331 C 12 H 3 A 1.05 133.05 20 282.8 -8.1 1.235E-03 3320592361.15016 109.41 173.4 173.4 320 1331 C 12 H 3 A 1.10 133.10 20 283.8 -6.7 1.212E-03 3320592366.46266 109.41 174.4 174.4 320 1331 C 12 H 3 A 1.15 133.15 20 290.4 -5.8 2.038E-03 3320592371.79079 109.41 181.0 181.0 320 1331 C 12 H 3 A 1.20 133.20 20 290.9 -12.6 2.352E-03 3320592377.11891 109.41 181.5 181.5 320 1331 C 12 H 4 A 0.10 133.40 20 291.4 -8.0 1.382E-03 3320593049.00954 109.41 182.0 182.0 320 1331 C 12 H 4 A 0.15 133.45 20 290.4 -13.5 1.379E-03 3320593054.33766 109.41 181.0 181.0 320 1331 C 12 H 4 A 0.20 133.50 20 287.8 -8.1 2.041E-03 3320593059.66579 109.41 178.4 178.4 320 1331 C 12 H 4 A 0.25 133.55 20 291.2 -10.0 1.758E-03 3320593064.99391 109.41 181.8 181.8 320 1331 C 12 H 4 A 0.30 133.60 20 288.1 -12.1 1.435E-03 3320593070.32204 109.41 178.7 178.7 320 1331 C 12 H 4 A 0.35 133.65 20 289.8 -12.2 1.200E-03 3320593075.65016 109.41 180.4 180.4 320 1331 C 12 H 4 A 0.40 133.70 20 292.6 -9.4 1.162E-03 3320593080.96266 109.41 183.2 183.2 320 1331 C 12 H 4 A 0.45 133.75 20 294.3 -5.2 1.343E-03 3320593086.29079 109.41 184.9 184.9 320 1331 C 12 H 4 A 0.50 133.80 20 292.5 -3.7 1.442E-03 3320593091.61891 109.41 183.1 183.1 320 1331 C 12 H 4 A 0.55 133.85 20 292.6 -4.4 1.015E-03 3320593096.94704 109.41 183.2 183.2 320 1331 C 12 H 4 A 0.60 133.90 20 304.0 -6.9 7.023E-04 3320593102.27516 109.41 194.6 194.6 320 1331 C 12 H 4 A 0.65 133.95 20 298.9 -6.5 1.052E-03 3320593107.58766 109.41 189.5 189.5 320 1331 C 12 H 4 A 0.70 134.00 20 287.7 -5.6 2.064E-03 3320593112.91579 109.41 178.3 178.3 320 1331 C 12 H 4 A 0.75 134.05 20 288.4 -4.4 2.160E-03 3320593118.24391 109.41 179.0 179.0 320 1331 C 12 H 4 A 0.80 134.10 20 287.9 -2.1 1.904E-03 3320593123.57204 109.41 178.5 178.5 320 1331 C 12 H 4 A 0.85 134.15 20 289.8 -3.3 1.155E-03 3320593128.90016 109.41 180.4 180.4 320 1331 C 12 H 4 A 0.90 134.20 20 289.2 -4.2 8.695E-04 3320593134.21266 109.41 179.8 179.8 320 1331 C 12 H 4 A 0.95 134.25 20 284.8 -6.2 8.516E-04 3320593139.54079 109.41 175.4 175.4 320 1331 C 12 H 4 A 1.00 134.30 20 281.7 -7.6 8.443E-04 3320593144.86891 109.41 172.3 172.3 320 1331 C 12 H 4 A 1.05 134.35 20 284.2 -5.9 7.993E-04 3320593150.19704 109.41 174.8 174.8 320 1331 C 12 H 4 A 1.10 134.40 20 289.1 -4.1 1.007E-03 3320593155.50954 109.41 179.7 179.7 320 1331 C 12 H 4 A 1.15 134.45 20 289.2 -3.6 1.416E-03 3320593160.83766 109.41 179.8 179.8 320 1331 C 12 H 4 A 1.20 134.50 20 286.8 -4.5 1.750E-03 3320593166.16579 109.41 177.4 177.4 320 1331 C 12 H 4 A 1.25 134.55 20 287.7 -5.5 1.496E-03 3320593171.49391 109.41 178.3 178.3 320 1331 C 12 H 4 A 1.30 134.60 20 286.9 -8.1 1.047E-03 3320593176.82204 109.41 177.5 177.5 320 1331 C 12 H 4 A 1.35 134.65 20 295.8 -10.8 5.543E-04 3320593182.13454 109.41 186.4 186.4 320 1331 C 12 H 4 A 1.40 134.70 20 288.8 -8.5 8.609E-04 3320593187.46266 109.41 179.4 179.4 320 1331 C 12 H 5 A 0.10 134.90 20 294.6 -9.2 1.273E-03 3320594013.18141 109.41 185.2 185.2 320 1331 C 12 H 5 A 0.15 134.95 20 295.5 -14.4 1.390E-03 3320594018.50954 109.41 186.1 186.1 320 1331 C 12 H 5 A 0.20 135.00 20 294.5 -12.2 1.306E-03 3320594023.83766 109.41 185.1 185.1 320 1331 C 12 H 5 A 0.25 135.05 20 289.8 -11.8 1.326E-03 3320594029.16579 109.41 180.4 180.4 320 1331 C 12 H 5 A 0.30 135.10 20 286.8 -10.3 1.290E-03 3320594034.47829 109.41 177.4 177.4 320 1331 C 12 H 5 A 0.35 135.15 20 287.8 -8.5 1.246E-03 3320594039.80641 109.41 178.4 178.4 320 1331 C 12 H 5 A 0.40 135.20 20 288.1 -6.1 1.186E-03 3320594045.13454 109.41 178.7 178.7 320 1331 C 12 H 5 A 0.45 135.25 20 287.4 -7.3 1.006E-03 3320594050.44704 109.41 178.0 178.0 320 1331 C 12 H 5 A 0.50 135.30 20 290.2 -10.1 8.093E-04 3320594055.77516 109.41 180.8 180.8 320 1331 C 12 H 5 A 0.55 135.35 20 291.6 -8.8 8.526E-04 3320594061.10329 109.41 182.2 182.2 320 1331 C 12 H 5 A 0.60 135.40 20 290.2 -5.2 1.082E-03 3320594066.41579 109.41 180.8 180.8 320 1331 C 12 H 5 A 0.65 135.45 20 292.1 -3.7 1.175E-03 3320594071.74391 109.41 182.7 182.7 320 1331 C 12 H 5 A 0.70 135.50 20 294.5 -5.1 8.834E-04 3320594077.07204 109.41 185.1 185.1 320 1331 C 12 H 5 A 0.75 135.55 20 296.1 -8.4 5.781E-04 3320594082.40016 109.41 186.7 186.7 320 1331 C 12 H 5 A 0.80 135.60 20 294.9 -7.0 8.220E-04 3320594087.72829 109.41 185.5 185.5 320 1331 C 12 H 5 A 0.85 135.65 20 290.0 -5.7 1.212E-03 3320594093.04079 109.41 180.6 180.6 320 1331 C 12 H 5 A 0.90 135.70 20 284.7 -3.5 3.031E-03 3320594098.36891 109.41 175.3 175.3 320 1331 C 12 H 5 A 0.95 135.75 20 284.3 -3.0 3.502E-03 3320594103.69704 109.41 174.9 174.9 320 1331 C 12 H 5 A 1.00 135.80 20 285.1 -4.6 2.222E-03 3320594109.02516 109.41 175.7 175.7 320 1331 C 12 H 5 A 1.05 135.85 20 288.8 -6.4 1.251E-03 3320594114.33766 109.41 179.4 179.4 320 1331 C 12 H 5 A 1.10 135.90 20 289.2 -3.9 1.379E-03 3320594119.66579 109.41 179.8 179.8 320 1331 C 12 H 5 A 1.15 135.95 20 290.8 -1.6 1.522E-03 3320594124.99391 109.41 181.4 181.4 320 1331 C 12 H 5 A 1.20 136.00 20 291.1 -0.2 1.673E-03 3320594130.32204 109.41 181.7 181.7 320 1331 C 12 H 5 A 1.25 136.05 20 292.9 -0.4 1.392E-03 3320594135.65016 109.41 183.5 183.5 320 1331 C 12 H 5 A 1.30 136.10 20 292.1 -2.7 1.456E-03 3320594140.96266 109.41 182.7 182.7 320 1331 C 12 H 5 A 1.35 136.15 20 291.9 -2.5 1.867E-03 3320594146.29079 109.41 182.5 182.5 320 1331 C 12 H 5 A 1.40 136.20 20 291.5 -3.7 2.222E-03 3320594151.61891 109.41 182.1 182.1 320 1331 C 12 H 6 A 0.10 136.40 20 290.5 -4.1 1.568E-03 3320594857.97829 109.41 181.1 181.1 320 1331 C 12 H 6 A 0.15 136.45 20 288.4 -4.8 1.467E-03 3320594863.32204 109.41 179.0 179.0 320 1331 C 12 H 6 A 0.20 136.50 20 288.8 -3.2 1.578E-03 3320594868.65016 109.41 179.4 179.4 320 1331 C 12 H 6 A 0.25 136.55 20 291.3 -2.7 1.026E-03 3320594873.96266 109.41 181.9 181.9 320 1331 C 12 H 6 A 0.30 136.60 20 288.2 -7.6 8.347E-04 3320594879.29079 109.41 178.8 178.8 320 1331 C 12 H 6 A 0.35 136.65 20 285.6 -7.6 1.186E-03 3320594884.61891 109.41 176.2 176.2 320 1331 C 12 H 6 A 0.40 136.70 20 286.0 -4.4 1.979E-03 3320594889.94704 109.41 176.6 176.6 320 1331 C 12 H 6 A 0.45 136.75 20 290.9 -4.4 2.209E-03 3320594895.27516 109.41 181.5 181.5 320 1331 C 12 H 6 A 0.50 136.80 20 292.1 -4.9 2.187E-03 3320594900.58766 109.41 182.7 182.7 320 1331 C 12 H 6 A 0.55 136.85 20 291.3 -5.4 1.745E-03 3320594905.91579 109.41 181.9 181.9 320 1331 C 12 H 6 A 0.60 136.90 20 290.4 -6.3 1.327E-03 3320594911.24391 109.41 181.0 181.0 320 1331 C 12 H 6 A 0.65 136.95 20 290.2 -7.5 1.101E-03 3320594916.57204 109.41 180.8 180.8 320 1331 C 12 H 6 A 0.70 137.00 20 291.4 -10.9 1.113E-03 3320594921.88454 109.41 182.0 182.0 320 1331 C 12 H 6 A 0.75 137.05 20 291.4 -12.2 1.584E-03 3320594927.21266 109.41 182.0 182.0 320 1331 C 12 H 6 A 0.80 137.10 20 294.4 -13.3 1.949E-03 3320594932.54079 109.41 185.0 185.0 320 1331 C 12 H 6 A 0.85 137.15 20 294.5 -12.8 1.972E-03 3320594937.86891 109.41 185.1 185.1 320 1331 C 12 H 6 A 0.90 137.20 20 293.5 -9.3 2.074E-03 3320594943.18141 109.41 184.1 184.1 320 1331 C 12 H 6 A 0.95 137.25 20 292.9 -5.7 2.085E-03 3320594948.50954 109.41 183.5 183.5 320 1331 C 12 H 6 A 1.00 137.30 20 290.5 -2.2 2.179E-03 3320594953.82204 109.41 181.1 181.1 320 1331 C 12 H 6 A 1.05 137.35 20 291.7 -1.7 1.782E-03 3320594959.15016 109.41 182.3 182.3 320 1331 C 12 H 6 A 1.10 137.40 20 313.2 -7.1 5.448E-04 3320594964.47829 109.41 203.8 203.8 320 1331 C 12 H 6 A 1.15 137.45 20 286.5 -9.9 2.952E-04 3320594969.80641 109.41 177.1 177.1 320 1331 C 12 H 6 A 1.20 137.50 20 279.4 -3.2 1.916E-03 3320594975.13454 109.41 170.0 170.0 320 1331 C 12 H 6 A 1.25 137.55 20 285.7 4.5 2.808E-03 3320594980.44704 109.41 176.3 176.3 320 1331 C 12 H 6 A 1.30 137.60 20 285.1 1.2 2.690E-03 3320594985.77516 109.41 175.7 175.7 320 1331 C 12 H 6 A 1.35 137.65 20 285.4 1.5 2.348E-03 3320594991.10329 109.41 176.0 176.0 320 1331 C 12 H 6 A 1.40 137.70 20 289.3 0.9 2.586E-03 3320594996.43141 109.41 179.9 179.9 320 1331 C 12 H 7 A 0.10 137.90 20 288.7 0.2 1.848E-03 3320595682.85329 109.41 179.3 179.3 320 1331 C 12 H 7 A 0.15 137.95 20 290.2 2.2 1.373E-03 3320595688.18141 109.41 180.8 180.8 320 1331 C 12 H 7 A 0.20 138.00 20 293.1 5.5 1.227E-03 3320595693.49391 109.41 183.7 183.7 320 1331 C 12 H 7 A 0.25 138.05 20 295.0 7.2 1.174E-03 3320595698.82204 109.41 185.6 185.6 320 1331 C 12 H 7 A 0.30 138.10 20 291.3 6.6 1.223E-03 3320595704.15016 109.41 181.9 181.9 320 1331 C 12 H 7 A 0.35 138.15 20 291.8 6.6 1.229E-03 3320595709.47829 109.41 182.4 182.4 320 1331 C 12 H 7 A 0.40 138.20 20 293.0 4.8 1.407E-03 3320595714.80641 109.41 183.6 183.6 320 1331 C 12 H 7 A 0.45 138.25 20 287.7 -0.1 2.848E-03 3320595720.11891 109.41 178.3 178.3 320 1331 C 12 H 7 A 0.50 138.30 20 289.1 -3.2 2.859E-03 3320595725.44704 109.41 179.7 179.7 320 1331 C 12 H 7 A 0.55 138.35 20 294.2 -5.1 2.328E-03 3320595730.77516 109.41 184.8 184.8 320 1331 C 12 H 7 A 0.60 138.40 20 298.8 -5.0 2.591E-03 3320595736.10329 109.41 189.4 189.4 320 1331 C 12 H 7 A 0.65 138.45 20 290.5 -6.9 3.930E-03 3320595741.43141 109.41 181.1 181.1 320 1331 C 12 H 7 A 0.70 138.50 20 292.0 -3.7 4.761E-03 3320595746.74391 109.41 182.6 182.6 320 1331 C 12 H 7 A 0.75 138.55 20 293.4 -5.2 4.210E-03 3320595752.07204 109.41 184.0 184.0 320 1331 C 12 H 7 A 0.80 138.60 20 293.5 -6.0 3.929E-03 3320595757.40016 109.41 184.1 184.1 320 1331 C 12 H 7 A 0.85 138.65 20 293.3 -5.4 4.107E-03 3320595762.72829 109.41 183.9 183.9 320 1331 C 12 H 7 A 0.90 138.70 20 292.0 -8.5 4.412E-03 3320595768.04079 109.41 182.6 182.6 320 1331 C 12 H 7 A 0.95 138.75 20 289.4 -6.4 4.581E-03 3320595773.36891 109.41 180.0 180.0 320 1331 C 13 H 2 A 0.10 140.10 20 100.8 -1.5 2.502E-03 3320596610.88454 297.26 163.5 163.5 320 1331 C 13 H 2 A 0.15 140.15 20 96.8 2.1 2.069E-03 3320596616.21266 297.26 159.5 159.5 320 1331 C 13 H 2 A 0.20 140.20 20 92.5 5.9 2.149E-03 3320596621.52516 297.26 155.2 155.2 320 1331 C 13 H 2 A 0.25 140.25 20 95.0 3.5 2.607E-03 3320596626.85329 297.26 157.7 157.7 320 1331 C 13 H 2 A 0.30 140.30 20 93.8 3.6 2.439E-03 3320596632.19704 297.26 156.5 156.5 320 1331 C 13 H 2 A 0.35 140.35 20 96.8 -8.6 2.115E-03 3320596637.52516 297.26 159.5 159.5 320 1331 C 13 H 2 A 0.40 140.40 20 90.0 -10.0 2.323E-03 3320596642.85329 297.26 152.7 152.7 320 1331 C 13 H 2 A 0.45 140.45 20 96.1 -9.4 2.177E-03 3320596648.18141 297.26 158.8 158.8 320 1331 C 13 H 2 A 0.50 140.50 20 95.9 -10.3 1.753E-03 3320596653.49391 297.26 158.6 158.6 320 1331 C 13 H 2 A 0.55 140.55 20 91.5 -4.5 1.627E-03 3320596658.82204 297.26 154.2 154.2 320 1331 C 13 H 2 A 0.60 140.60 20 93.3 -0.8 1.544E-03 3320596664.15016 297.26 156.0 156.0 320 1331 C 13 H 2 A 0.65 140.65 20 95.3 -2.7 1.597E-03 3320596669.47829 297.26 158.0 158.0 320 1331 C 13 H 2 A 0.70 140.70 20 93.5 -3.6 1.789E-03 3320596674.80641 297.26 156.2 156.2 320 1331 C 13 H 2 A 0.75 140.75 20 97.6 -1.9 2.056E-03 3320596680.13454 297.26 160.3 160.3 320 1331 C 13 H 2 A 0.80 140.80 20 99.0 -1.2 2.008E-03 3320596685.46266 297.26 161.7 161.7 320 1331 C 13 H 2 A 0.85 140.85 20 99.2 -1.6 1.716E-03 3320596690.79079 297.26 161.9 161.9 320 1331 C 13 H 2 A 0.90 140.90 20 100.4 -4.5 1.836E-03 3320596696.10329 297.26 163.1 163.1 320 1331 C 13 H 2 A 0.95 140.95 20 97.6 -6.7 1.897E-03 3320596701.43141 297.26 160.3 160.3 320 1331 C 13 H 2 A 1.00 141.00 20 90.7 -5.0 2.020E-03 3320596706.75954 297.26 153.4 153.4 320 1331 C 13 H 2 A 1.05 141.05 20 95.4 -4.1 2.058E-03 3320596712.08766 297.26 158.1 158.1 320 1331 C 13 H 2 A 1.10 141.10 20 93.8 -4.6 2.063E-03 3320596717.40016 297.26 156.5 156.5 320 1331 C 13 H 2 A 1.15 141.15 20 88.1 -4.5 1.705E-03 3320596722.72829 297.26 150.8 150.8 320 1331 C 13 H 2 A 1.20 141.20 20 91.4 -4.2 2.133E-03 3320596728.05641 297.26 154.1 154.1 320 1331 C 13 H 2 A 1.25 141.25 20 92.6 -5.4 2.480E-03 3320596733.38454 297.26 155.3 155.3 320 1331 C 13 H 2 A 1.30 141.30 20 92.9 -4.5 2.210E-03 3320596738.71266 297.26 155.6 155.6 320 1331 C 13 H 2 A 1.35 141.35 20 94.2 -5.6 1.972E-03 3320596744.02516 297.26 156.9 156.9 320 1331 C 13 H 2 A 1.40 141.40 20 92.7 -7.8 2.028E-03 3320596749.35329 297.26 155.4 155.4 320 1331 C 13 H 3 A 0.10 141.60 20 94.0 0.8 1.774E-03 3320597455.27516 297.26 156.7 156.7 320 1331 C 13 H 3 A 0.15 141.65 20 97.0 1.6 1.583E-03 3320597460.60329 297.26 159.7 159.7 320 1331 C 13 H 3 A 0.20 141.70 20 100.6 -3.2 2.075E-03 3320597465.93141 297.26 163.3 163.3 320 1331 C 13 H 3 A 0.25 141.75 20 100.9 -5.3 1.791E-03 3320597471.24391 297.26 163.6 163.6 320 1331 C 13 H 3 A 0.30 141.80 20 99.2 0.2 1.570E-03 3320597476.57204 297.26 161.9 161.9 320 1331 C 13 H 3 A 0.35 141.85 20 92.6 0.9 1.534E-03 3320597481.90016 297.26 155.3 155.3 320 1331 C 13 H 3 A 0.40 141.90 20 86.5 -0.4 1.693E-03 3320597487.22829 297.26 149.2 149.2 320 1331 C 13 H 3 A 0.45 141.95 20 88.5 -12.0 1.831E-03 3320597492.54079 297.26 151.2 151.2 320 1331 C 13 H 3 A 0.50 142.00 20 106.1 -8.7 4.118E-03 3320597497.86891 297.26 168.8 168.8 320 1331 C 13 H 3 A 0.55 142.05 20 104.6 1.3 3.717E-03 3320597503.19704 297.26 167.3 167.3 320 1331 C 13 H 3 A 0.60 142.10 20 96.4 -3.5 1.411E-03 3320597508.52516 297.26 159.1 159.1 320 1331 C 13 H 3 A 0.65 142.15 20 96.2 -6.9 7.330E-04 3320597513.85329 297.26 158.9 158.9 320 1331 C 13 H 3 A 0.70 142.20 20 99.2 2.3 9.169E-04 3320597519.16579 297.26 161.9 161.9 320 1331 C 13 H 3 A 0.75 142.25 20 100.3 18.3 1.233E-03 3320597524.49391 297.26 163.0 163.0 320 1331 C 13 H 3 A 0.80 142.30 20 99.3 22.2 1.765E-03 3320597529.82204 297.26 162.0 162.0 320 1331 C 13 H 3 A 0.85 142.35 20 98.9 19.2 2.369E-03 3320597535.15016 297.26 161.6 161.6 320 1331 C 13 H 3 A 0.90 142.40 20 97.5 13.2 3.134E-03 3320597540.47829 297.26 160.2 160.2 320 1331 C 13 H 3 A 0.95 142.45 20 98.6 11.8 3.148E-03 3320597545.79079 297.26 161.3 161.3 320 1331 C 13 H 3 A 1.00 142.50 20 99.2 10.8 3.086E-03 3320597551.11891 297.26 161.9 161.9 320 1331 C 13 H 3 A 1.05 142.55 20 94.3 20.0 2.879E-03 3320597556.44704 297.26 157.0 157.0 320 1331 C 13 H 3 A 1.10 142.60 20 96.5 8.5 2.996E-03 3320597561.77516 297.26 159.2 159.2 320 1331 C 13 H 3 A 1.15 142.65 20 110.3 6.7 1.544E-03 3320597567.08766 297.26 173.0 173.0 320 1331 C 13 H 3 A 1.20 142.70 20 97.8 -12.7 1.966E-03 3320597572.41579 297.26 160.5 160.5 320 1331 C 13 H 3 A 1.25 142.75 20 75.4 10.3 2.481E-03 3320597577.74391 297.26 138.1 138.1 320 1331 C 13 H 3 A 1.30 142.80 20 85.2 8.2 1.384E-03 3320597583.07204 297.26 147.9 147.9 320 1331 C 13 H 3 A 1.35 142.85 20 93.9 -3.4 1.865E-03 3320597588.38454 297.26 156.6 156.6 320 1331 C 13 H 3 A 1.40 142.90 20 99.2 -2.3 2.106E-03 3320597593.71266 297.26 161.9 161.9 320 1331 C 13 H 4 A 0.10 143.10 20 113.3 -0.4 2.448E-03 3320598468.63454 297.26 176.0 176.0 320 1331 C 13 H 4 A 0.15 143.15 20 114.3 -0.3 2.055E-03 3320598473.96266 297.26 177.0 177.0 320 1331 C 13 H 4 A 0.20 143.20 20 134.2 -0.9 1.172E-03 3320598479.29079 297.26 196.9 196.9 320 1331 C 13 H 4 A 0.25 143.25 20 134.5 -7.8 1.121E-03 3320598484.61891 297.26 197.2 197.2 320 1331 C 13 H 4 A 0.30 143.30 20 136.6 -21.0 9.698E-04 3320598489.94704 297.26 199.3 199.3 320 1331 C 13 H 4 A 0.35 143.35 20 230.7 -19.5 9.744E-04 3320598495.25954 297.26 293.4 -66.6 320 1331 C 13 H 4 A 0.40 143.40 20 172.2 -33.4 5.793E-04 3320598500.58766 297.26 234.9 234.9 320 1331 C 13 H 4 A 0.45 143.45 20 121.2 -45.2 1.330E-03 3320598505.91579 297.26 183.9 183.9 320 1331 C 13 H 4 A 0.50 143.50 20 246.2 -43.6 7.302E-04 3320598511.24391 297.26 308.9 -51.1 320 1331 C 13 H 4 A 0.55 143.55 20 174.7 -13.8 6.262E-04 3320598516.55641 297.26 237.4 237.4 320 1331 C 13 H 4 A 0.60 143.60 20 159.3 -4.9 7.315E-04 3320598521.88454 297.26 222.0 222.0 320 1331 C 13 H 4 A 0.65 143.65 20 168.5 8.0 6.403E-04 3320598527.19704 297.26 231.2 231.2 320 1331 C 13 H 4 A 0.70 143.70 20 179.7 0.0 6.051E-04 3320598532.52516 297.26 242.4 242.4 320 1331 C 13 H 4 A 0.75 143.75 20 184.8 -3.9 5.806E-04 3320598537.85329 297.26 247.5 247.5 320 1331 C 13 H 4 A 0.80 143.80 20 186.6 -10.9 5.662E-04 3320598543.18141 297.26 249.3 249.3 320 1331 C 13 H 4 A 0.85 143.85 20 207.4 -13.5 5.617E-04 3320598548.50954 297.26 270.1 -89.9 320 1331 C 13 H 4 A 0.90 143.90 20 201.7 -9.6 5.968E-04 3320598553.82204 297.26 264.4 264.4 320 1331 C 13 H 4 A 0.95 143.95 20 168.5 -8.1 7.638E-04 3320598559.15016 297.26 231.2 231.2 320 1331 C 13 H 4 A 1.00 144.00 20 157.3 -7.4 9.347E-04 3320598564.47829 297.26 220.0 220.0 320 1331 C 13 H 4 A 1.05 144.05 20 186.4 -5.6 7.310E-04 3320598569.79079 297.26 249.1 249.1 320 1331 C 13 H 4 A 1.10 144.10 20 195.2 -1.6 7.483E-04 3320598575.11891 297.26 257.9 257.9 320 1331 C 13 H 4 A 1.15 144.15 20 203.5 -0.4 7.926E-04 3320598580.44704 297.26 266.2 266.2 320 1331 C 13 H 4 A 1.20 144.20 20 212.4 1.8 8.446E-04 3320598585.77516 297.26 275.1 -84.9 320 1331 C 13 H 4 A 1.25 144.25 20 215.4 1.6 7.836E-04 3320598591.10329 297.26 278.1 -81.9 320 1331 C 13 H 4 A 1.30 144.30 20 215.9 2.5 8.288E-04 3320598596.43141 297.26 278.6 -81.4 320 1331 C 13 H 4 A 1.35 144.35 20 214.3 4.8 8.358E-04 3320598601.74391 297.26 277.0 -83.0 320 1331 C 13 H 4 A 1.40 144.40 20 219.2 1.2 7.785E-04 3320598607.07204 297.26 281.9 -78.1 320 1331 C 13 H 5 A 0.10 144.60 20 123.1 -0.1 1.522E-03 3320599307.61891 297.26 185.8 185.8 320 1331 C 13 H 5 A 0.15 144.65 20 121.9 -1.3 1.829E-03 3320599312.94704 297.26 184.6 184.6 320 1331 C 13 H 5 A 0.20 144.70 20 114.6 -1.2 2.533E-03 3320599318.27516 297.26 177.3 177.3 320 1331 C 13 H 5 A 0.25 144.75 20 119.7 -1.8 2.079E-03 3320599323.58766 297.26 182.4 182.4 320 1331 C 13 H 5 A 0.30 144.80 20 121.8 -2.2 1.586E-03 3320599328.91579 297.26 184.5 184.5 320 1331 C 13 H 5 A 0.35 144.85 20 121.1 -1.8 1.316E-03 3320599334.24391 297.26 183.8 183.8 320 1331 C 13 H 5 A 0.40 144.90 20 121.0 0.1 1.353E-03 3320599339.57204 297.26 183.7 183.7 320 1331 C 13 H 5 A 0.45 144.95 20 128.1 -0.5 1.421E-03 3320599344.90016 297.26 190.8 190.8 320 1331 C 13 H 5 A 0.50 145.00 20 128.7 -0.7 1.553E-03 3320599350.21266 297.26 191.4 191.4 320 1331 C 13 H 5 A 0.55 145.05 20 126.9 -1.3 1.980E-03 3320599355.54079 297.26 189.6 189.6 320 1331 C 13 H 5 A 0.60 145.10 20 126.4 -1.1 2.285E-03 3320599360.86891 297.26 189.1 189.1 320 1331 C 13 H 5 A 0.65 145.15 20 127.5 -0.1 2.162E-03 3320599366.19704 297.26 190.2 190.2 320 1331 C 13 H 5 A 0.70 145.20 20 128.1 1.8 1.761E-03 3320599371.50954 297.26 190.8 190.8 320 1331 C 13 H 5 A 0.75 145.25 20 136.8 3.3 1.074E-03 3320599376.83766 297.26 199.5 199.5 320 1331 C 13 H 5 A 0.80 145.30 20 124.8 5.0 9.956E-04 3320599382.16579 297.26 187.5 187.5 320 1331 C 13 H 5 A 0.85 145.35 20 125.3 4.5 9.024E-04 3320599387.49391 297.26 188.0 188.0 320 1331 C 13 H 5 A 0.90 145.40 20 128.6 0.2 9.459E-04 3320599392.80641 297.26 191.3 191.3 320 1331 C 13 H 5 A 0.95 145.45 20 128.5 0.5 1.128E-03 3320599398.13454 297.26 191.2 191.2 320 1331 C 13 H 5 A 1.00 145.50 20 129.9 0.6 1.206E-03 3320599403.44704 297.26 192.6 192.6 320 1331 C 13 H 5 A 1.05 145.55 20 127.6 -1.7 1.350E-03 3320599408.77516 297.26 190.3 190.3 320 1331 C 13 H 5 A 1.10 145.60 20 128.0 -2.2 1.562E-03 3320599414.10329 297.26 190.7 190.7 320 1331 C 13 H 5 A 1.15 145.65 20 131.0 -0.8 1.706E-03 3320599419.41579 297.26 193.7 193.7 320 1331 C 13 H 5 A 1.20 145.70 20 129.0 -0.5 1.576E-03 3320599424.74391 297.26 191.7 191.7 320 1331 C 13 H 5 A 1.25 145.75 20 125.5 -0.6 1.317E-03 3320599430.07204 297.26 188.2 188.2 320 1331 C 13 H 5 A 1.30 145.80 20 125.8 -0.4 1.136E-03 3320599435.40016 297.26 188.5 188.5 320 1331 C 13 H 5 A 1.35 145.85 20 129.9 -0.3 9.961E-04 3320599440.72829 297.26 192.6 192.6 320 1331 C 13 H 5 A 1.40 145.90 20 129.4 -2.3 1.033E-03 3320599446.04079 297.26 192.1 192.1 320 1331 C 13 H 6 A 0.10 146.10 20 118.8 -0.7 2.861E-03 3320600273.47829 297.26 181.5 181.5 320 1331 C 13 H 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H 6 A 0.40 146.40 20 131.2 0.8 2.653E-03 3320600305.43141 297.26 193.9 193.9 320 1331 C 13 H 6 A 0.40 146.40 20 131.1 0.2 2.639E-03 3320601163.66579 297.26 193.8 193.8 320 1331 C 13 H 6 A 0.45 146.45 20 130.7 0.6 2.316E-03 3320600310.74391 297.26 193.4 193.4 320 1331 C 13 H 6 A 0.45 146.45 20 131.3 0.0 2.235E-03 3320601168.99391 297.26 194.0 194.0 320 1331 C 13 H 6 A 0.50 146.50 20 131.7 0.7 1.949E-03 3320600316.07204 297.26 194.4 194.4 320 1331 C 13 H 6 A 0.50 146.50 20 131.3 0.2 1.884E-03 3320601174.32204 297.26 194.0 194.0 320 1331 C 13 H 6 A 0.55 146.55 20 129.9 0.5 2.036E-03 3320600321.40016 297.26 192.6 192.6 320 1331 C 13 H 6 A 0.55 146.55 20 129.7 -0.1 2.016E-03 3320601179.65016 297.26 192.4 192.4 320 1331 C 13 H 6 A 0.60 146.60 20 129.3 -0.6 2.351E-03 3320600326.72829 297.26 192.0 192.0 320 1331 C 13 H 6 A 0.60 146.60 20 128.8 -1.3 2.306E-03 3320601184.97829 297.26 191.5 191.5 320 1331 C 13 H 6 A 0.65 146.65 20 129.1 -3.0 2.040E-03 3320600332.04079 297.26 191.8 191.8 320 1331 C 13 H 6 A 0.65 146.65 20 129.8 -3.7 1.930E-03 3320601190.29079 297.26 192.5 192.5 320 1331 C 13 H 6 A 0.70 146.70 20 129.6 -4.9 1.537E-03 3320600337.36891 297.26 192.3 192.3 320 1331 C 13 H 6 A 0.70 146.70 20 128.9 -5.4 1.482E-03 3320601195.61891 297.26 191.6 191.6 320 1331 C 13 H 6 A 0.75 146.75 20 86.8 -6.5 7.564E-04 3320600342.69704 297.26 149.5 149.5 320 1331 C 13 H 6 A 0.75 146.75 20 119.0 -6.2 8.661E-04 3320601200.94704 297.26 181.7 181.7 320 1331 C 13 H 6 A 0.80 146.80 20 133.9 -0.9 9.504E-04 3320600348.02516 297.26 196.6 196.6 320 1331 C 13 H 6 A 0.80 146.80 20 133.8 -2.5 9.362E-04 3320601206.27516 297.26 196.5 196.5 320 1331 C 13 H 6 A 0.85 146.85 20 132.3 0.6 1.236E-03 3320600353.35329 297.26 195.0 195.0 320 1331 C 13 H 6 A 0.85 146.85 20 130.7 -0.9 1.248E-03 3320601211.60329 297.26 193.4 193.4 320 1331 C 13 H 6 A 0.90 146.90 20 129.6 1.0 1.736E-03 3320600358.68141 297.26 192.3 192.3 320 1331 C 13 H 6 A 0.90 146.90 20 129.1 0.1 1.715E-03 3320601216.93141 297.26 191.8 191.8 320 1331 C 13 H 6 A 0.95 146.95 20 132.8 3.0 1.966E-03 3320600363.99391 297.26 195.5 195.5 320 1331 C 13 H 6 A 0.95 146.95 20 132.6 1.9 1.933E-03 3320601222.24391 297.26 195.3 195.3 320 1331 C 13 H 6 A 1.00 147.00 20 134.6 4.6 1.918E-03 3320600369.32204 297.26 197.3 197.3 320 1331 C 13 H 6 A 1.00 147.00 20 133.4 3.4 1.868E-03 3320601227.57204 297.26 196.1 196.1 320 1331 C 13 H 6 A 1.05 147.05 20 132.5 4.1 1.749E-03 3320600374.65016 297.26 195.2 195.2 320 1331 C 13 H 6 A 1.05 147.05 20 132.2 2.5 1.723E-03 3320601232.90016 297.26 194.9 194.9 320 1331 C 13 H 6 A 1.10 147.10 20 133.3 3.3 1.910E-03 3320600379.97829 297.26 196.0 196.0 320 1331 C 13 H 6 A 1.10 147.10 20 132.9 1.9 1.869E-03 3320601238.22829 297.26 195.6 195.6 320 1331 C 13 H 6 A 1.15 147.15 20 132.2 4.0 1.905E-03 3320600385.29079 297.26 194.9 194.9 320 1331 C 13 H 6 A 1.15 147.15 20 132.3 2.9 1.839E-03 3320601243.55641 297.26 195.0 195.0 320 1331 C 13 H 6 A 1.20 147.20 20 132.9 4.5 1.916E-03 3320600390.61891 297.26 195.6 195.6 320 1331 C 13 H 6 A 1.20 147.20 20 133.1 3.2 1.883E-03 3320601248.88454 297.26 195.8 195.8 320 1331 C 13 H 6 A 1.25 147.25 20 131.3 3.6 2.205E-03 3320600395.94704 297.26 194.0 194.0 320 1331 C 13 H 6 A 1.25 147.25 20 132.6 2.6 2.162E-03 3320601254.19704 297.26 195.3 195.3 320 1331 C 13 H 6 A 1.30 147.30 20 130.8 3.9 2.221E-03 3320600401.27516 297.26 193.5 193.5 320 1331 C 13 H 6 A 1.30 147.30 20 130.5 3.2 2.174E-03 3320601259.52516 297.26 193.2 193.2 320 1331 C 13 H 6 A 1.35 147.35 20 130.4 4.6 2.257E-03 3320600406.60329 297.26 193.1 193.1 320 1331 C 13 H 6 A 1.35 147.35 20 128.8 4.0 2.205E-03 3320601264.85329 297.26 191.5 191.5 320 1331 C 13 H 6 A 1.40 147.40 20 130.3 4.3 1.990E-03 3320600411.93141 297.26 193.0 193.0 320 1331 C 13 H 6 A 1.40 147.40 20 131.9 3.4 1.920E-03 3320601270.18141 297.26 194.6 194.6 320 1331 C 13 H 7 A 0.10 147.60 20 135.6 -2.0 1.920E-03 3320601959.77516 297.26 198.3 198.3 320 1331 C 13 H 7 A 0.15 147.65 20 136.0 -2.4 2.094E-03 3320601965.10329 297.26 198.7 198.7 320 1331 C 13 H 7 A 0.25 147.75 20 133.7 1.7 1.785E-03 3320601975.74391 297.26 196.4 196.4 320 1331 C 13 H 7 A 0.30 147.80 20 130.6 1.9 1.744E-03 3320601981.07204 297.26 193.3 193.3 320 1331 C 13 H 7 A 0.35 147.85 20 131.6 4.0 1.616E-03 3320601986.40016 297.26 194.3 194.3 320 1331 C 13 H 7 A 0.40 147.90 20 131.9 4.3 1.512E-03 3320601991.72829 297.26 194.6 194.6 320 1331 C 13 H 7 A 0.45 147.95 20 131.4 0.7 1.356E-03 3320601997.04079 297.26 194.1 194.1 320 1331 C 13 H 7 A 0.50 148.00 20 131.2 -1.9 1.307E-03 3320602002.36891 297.26 193.9 193.9 320 1331 C 13 H 7 A 0.55 148.05 20 128.9 -4.1 1.800E-03 3320602007.69704 297.26 191.6 191.6 320 1331 C 13 H 7 A 0.60 148.10 20 130.1 -10.1 2.132E-03 3320602013.02516 297.26 192.8 192.8 320 1331 C 13 H 7 A 0.65 148.15 20 130.6 -7.2 2.152E-03 3320602018.35329 297.26 193.3 193.3 320 1331 C 13 H 7 A 0.70 148.20 20 130.5 -6.8 2.228E-03 3320602023.68141 297.26 193.2 193.2 320 1331 C 13 H 7 A 0.75 148.25 20 138.0 -7.6 2.524E-03 3320602028.99391 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355.7 -4.3 320 1331 C 14 H 6 A 0.85 156.35 20 212.9 1.3 1.038E-03 3320611999.21200 215.45 357.5 -2.6 320 1331 C 14 H 6 A 0.90 156.40 20 214.6 0.5 1.146E-03 3320612004.54012 215.45 359.2 -0.8 320 1331 C 14 H 6 A 0.95 156.45 20 213.9 1.2 1.207E-03 3320612009.86825 215.45 358.5 -1.6 320 1331 C 14 H 6 A 1.00 156.50 20 212.3 2.2 1.343E-03 3320612015.18075 215.45 356.9 -3.2 320 1331 C 14 H 6 A 1.05 156.55 20 212.8 2.9 1.567E-03 3320612020.50887 215.45 357.4 -2.7 320 1331 C 16 H 2 A 0.35 178.85 20 51.0 10.3 7.916E-04 3320613558.97762 249.12 161.9 161.9 320 1331 C 16 H 2 A 0.40 178.90 20 35.4 -4.9 8.030E-04 3320613564.30575 249.12 146.3 146.3 320 1331 C 16 H 2 A 0.45 178.95 20 36.0 -3.9 9.751E-04 3320613569.63387 249.12 146.9 146.9 320 1331 C 16 H 2 A 0.50 179.00 20 37.9 -3.8 1.109E-03 3320613574.96200 249.12 148.8 148.8 320 1331 C 16 H 2 A 0.55 179.05 20 36.1 -4.1 7.961E-04 3320613580.27450 249.12 147.0 147.0 320 1331 C 16 H 2 A 0.60 179.10 20 41.3 -7.7 6.664E-04 3320613585.60262 249.12 152.2 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242.2 9.5 1.008E-03 3320616385.55575 249.12 353.1 -6.9 320 1331 C 16 H 4 A 0.20 181.70 20 240.4 11.6 1.044E-03 3320616390.88387 249.12 351.3 -8.7 320 1331 C 16 H 4 A 0.25 181.75 20 238.0 12.9 9.264E-04 3320616396.21200 249.12 348.9 -11.1 320 1331 C 16 H 4 A 0.30 181.80 20 236.5 8.7 1.152E-03 3320616401.52450 249.12 347.4 -12.6 320 1331 C 16 H 4 A 0.35 181.85 20 232.3 10.0 1.102E-03 3320616406.85262 249.12 343.2 -16.8 320 1331 C 16 H 4 A 0.40 181.90 20 246.6 23.1 9.374E-04 3320616412.18075 249.12 357.5 -2.5 320 1331 C 16 H 4 A 0.45 181.95 20 242.6 10.1 1.004E-03 3320616417.50887 249.12 353.5 -6.5 320 1331 C 16 H 4 A 0.50 182.00 20 242.2 -5.0 7.271E-04 3320616422.83700 249.12 353.1 -6.9 320 1331 C 16 H 4 A 0.55 182.05 20 251.7 12.0 5.166E-04 3320616428.14950 249.12 2.6 2.6 320 1331 C 16 H 4 A 0.60 182.10 20 243.3 19.7 4.224E-04 3320616433.47762 249.12 354.2 -5.8 320 1331 C 16 H 4 A 0.65 182.15 20 244.7 15.0 6.691E-04 3320616438.79012 249.12 355.6 -4.4 320 1331 C 16 H 4 A 0.70 182.20 20 244.9 15.3 6.843E-04 3320616444.11825 249.12 355.8 -4.2 320 1331 C 16 H 4 A 0.75 182.25 20 242.9 11.7 6.444E-04 3320616449.44637 249.12 353.8 -6.2 320 1331 C 16 H 4 A 0.80 182.30 20 245.0 11.2 8.093E-04 3320616454.77450 249.12 355.9 -4.1 320 1331 C 16 H 4 A 0.85 182.35 20 246.8 11.0 9.112E-04 3320616460.10262 249.12 357.7 -2.3 320 1331 C 16 H 4 A 0.90 182.40 20 248.2 11.4 9.506E-04 3320616465.43075 249.12 359.1 -0.9 320 1331 C 16 H 4 A 0.95 182.45 20 246.7 12.9 9.890E-04 3320616470.74325 249.12 357.6 -2.4 320 1331 C 16 H 4 A 1.00 182.50 20 243.8 12.6 1.142E-03 3320616476.07137 249.12 354.7 -5.3 320 1331 C 16 H 4 A 1.05 182.55 20 245.5 9.4 1.450E-03 3320616481.39950 249.12 356.4 -3.6 320 1331 C 16 H 5 A 0.10 183.10 20 298.0 17.0 7.166E-03 3320616994.04012 249.12 48.9 48.9 320 1331 C 16 H 5 A 0.10 183.10 20 300.5 16.3 6.475E-03 3320617445.83700 249.12 51.4 51.4 320 1331 C 16 H 5 A 0.15 183.15 20 251.2 44.3 4.420E-03 3320616999.36825 249.12 2.1 2.1 320 1331 C 16 H 5 A 0.15 183.15 20 249.2 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1.315E-03 3320617031.32137 249.12 3.2 3.2 320 1331 C 16 H 5 A 0.45 183.45 20 249.8 14.0 1.006E-03 3320617483.11825 249.12 0.7 0.7 320 1331 C 16 H 5 A 0.50 183.50 20 246.1 7.2 1.111E-03 3320617036.64950 249.12 357.0 -3.0 320 1331 C 16 H 5 A 0.50 183.50 20 237.8 9.0 8.351E-04 3320617488.44637 249.12 348.7 -11.3 320 1331 C 16 H 5 A 0.55 183.55 20 244.9 -3.3 1.128E-03 3320617041.97762 249.12 355.8 -4.2 320 1331 C 16 H 5 A 0.55 183.55 20 234.4 -5.9 8.211E-04 3320617493.75887 249.12 345.3 -14.7 320 1331 C 16 H 5 A 0.60 183.60 20 247.8 -4.7 1.128E-03 3320617047.29012 249.12 358.7 -1.3 320 1331 C 16 H 5 A 0.60 183.60 20 235.8 -9.5 8.069E-04 3320617499.08700 249.12 346.7 -13.3 320 1331 C 16 H 5 A 0.65 183.65 20 256.8 -19.9 1.088E-03 3320617052.61825 249.12 7.7 7.7 320 1331 C 16 H 5 A 0.65 183.65 20 248.8 -30.1 7.648E-04 3320617504.41512 249.12 359.7 -0.3 320 1331 C 16 H 5 A 0.70 183.70 20 260.8 -21.2 9.811E-04 3320617057.94637 249.12 11.7 11.7 320 1331 C 16 H 5 A 0.70 183.70 20 253.5 -37.6 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3320617568.32137 249.12 3.8 3.8 320 1331 C 16 H 5 A 1.30 184.30 20 256.3 2.7 1.845E-03 3320617121.85262 249.12 7.2 7.2 320 1331 C 16 H 5 A 1.30 184.30 20 248.9 2.5 1.199E-03 3320617573.64950 249.12 359.8 -0.2 320 1331 C 16 H 5 A 1.35 184.35 20 260.5 2.7 2.502E-03 3320617127.16512 249.12 11.4 11.4 320 1331 C 16 H 5 A 1.35 184.35 20 247.2 4.7 1.003E-03 3320617578.96200 249.12 358.1 -1.9 320 1331 C 16 H 5 A 1.40 184.40 20 261.6 2.9 2.850E-03 3320617132.49325 249.12 12.5 12.5 320 1331 C 16 H 5 A 1.40 184.40 20 250.3 5.4 1.228E-03 3320617584.29012 249.12 1.2 1.2 320 1331 C 16 H 6 A 0.10 184.60 20 304.8 -40.0 1.834E-04 3320618240.21200 249.12 55.7 55.7 320 1331 C 16 H 6 A 0.15 184.65 20 249.6 -9.8 4.726E-04 3320618245.54012 249.12 0.5 0.5 320 1331 C 16 H 6 A 0.20 184.70 20 246.1 -2.5 1.032E-03 3320618250.86825 249.12 357.0 -3.0 320 1331 C 16 H 6 A 0.25 184.75 20 241.0 0.5 9.570E-04 3320618256.19637 249.12 351.9 -8.1 320 1331 C 16 H 6 A 0.30 184.80 20 249.7 4.8 9.361E-04 3320618261.50887 249.12 0.6 0.6 320 1331 C 16 H 6 A 0.35 184.85 20 251.6 6.9 1.230E-03 3320618266.83700 249.12 2.5 2.5 320 1331 C 16 H 6 A 0.40 184.90 20 246.8 23.7 1.296E-03 3320618272.16512 249.12 357.7 -2.3 320 1331 C 16 H 6 A 0.45 184.95 20 257.3 8.9 2.305E-03 3320618277.49325 249.12 8.2 8.2 320 1331 C 16 H 6 A 0.50 185.00 20 254.4 13.3 0.00176 3320618282.82137 249.12 5.3 5.3 320 1331 C 16 H 6 A 0.55 185.05 20 248.8 33.8 0.00060 3320618288.13387 249.12 359.7 -0.3 320 1331 C 16 H 6 A 0.60 185.10 20 262.2 22.4 0.00099 3320618293.46200 249.12 13.1 13.1 320 1331 C 16 H 6 A 0.65 185.15 20 263.9 14.1 0.00136 3320618298.79012 249.12 14.8 14.8 320 1331 C 17 H 2 A 0.10 185.60 20 347.3 22.2 0.00174 3320621472.16512 41.30 306.0 -54.0 320 1331 C 17 H 2 A 0.15 185.65 20 32.1 25.2 0.00548 3320621477.49325 41.30 350.8 -9.2 320 1331 C 17 H 2 A 0.20 185.70 20 21.2 44.4 0.00372 3320621482.82137 41.30 339.9 -20.1 320 1331 C 17 H 2 A 0.25 185.75 20 15.6 49.4 0.00240 3320621488.14950 41.30 334.3 -25.7 320 1331 C 17 H 2 A 0.30 185.80 20 28.6 32.0 0.00184 3320621493.47762 41.30 347.3 -12.7 320 1331 C 17 H 2 A 0.35 185.85 20 49.7 20.4 0.00110 3320621498.80575 41.30 8.4 8.4 320 1331 C 17 H 2 A 0.40 185.90 20 45.9 8.6 0.00091 3320621504.11825 41.30 4.6 4.6 320 1331 C 17 H 2 A 0.45 185.95 20 28.9 -5.2 0.00459 3320621509.44637 41.30 347.6 -12.4 320 1331 C 17 H 2 A 0.50 186.00 20 37.1 -1.8 0.00831 3320621514.77450 41.30 355.8 -4.2 320 1331 C 17 H 2 A 0.55 186.05 20 47.5 18.5 0.00384 3320621520.10262 41.30 6.2 6.2 320 1331 C 17 H 2 A 0.60 186.10 20 221.7 63.5 0.00324 3320621525.43075 41.30 180.4 180.4 320 1331 C 17 H 2 A 0.65 186.15 20 217.5 36.2 0.00572 3320621530.74325 41.30 176.2 176.2 320 1331 C 17 H 2 A 0.70 186.20 20 225.0 25.7 0.00606 3320621536.07137 41.30 183.7 183.7 320 1331 C 17 H 2 A 0.75 186.25 20 225.9 26.1 0.00543 3320621541.39950 41.30 184.6 184.6 320 1331 C 17 H 2 A 0.80 186.30 20 217.7 21.9 0.00485 3320621546.72762 41.30 176.4 176.4 320 1331 C 17 H 2 A 0.85 186.35 20 213.9 19.6 0.00386 3320621552.05575 41.30 172.6 172.6 320 1331 C 17 H 2 A 0.90 186.40 20 230.1 24.2 0.00358 3320621557.36825 41.30 188.8 188.8 320 1331 C 17 H 3 A 0.10 187.10 20 258.3 58.6 0.00443 3320623197.02450 41.30 217.0 217.0 320 1331 C 17 H 3 A 0.15 187.15 20 286.5 71.7 0.00441 3320623202.33700 41.30 245.2 245.2 320 1331 C 17 H 3 A 0.20 187.20 20 276.0 70.7 0.00374 3320623207.66512 41.30 234.7 234.7 320 1331 C 17 H 3 A 0.25 187.25 20 316.4 81.0 0.00365 3320623212.99325 41.30 275.1 -84.9 320 1331 C 17 H 3 A 0.30 187.30 20 15.6 68.9 0.00465 3320623218.32137 41.30 334.3 -25.7 320 1331 C 17 H 3 A 0.35 187.35 20 23.7 55.1 0.00598 3320623223.63387 41.30 342.4 -17.6 320 1331 C 17 H 3 A 0.40 187.40 20 30.2 51.8 0.00730 3320623228.96200 41.30 348.9 -11.1 320 1331 C 17 H 3 A 0.45 187.45 20 36.3 62.4 0.00662 3320623234.29012 41.30 355.0 -5.0 320 1331 C 17 H 3 A 0.50 187.50 20 36.9 61.9 0.00593 3320623239.61825 41.30 355.6 -4.4 320 1331 C 17 H 3 A 0.55 187.55 20 24.1 58.4 0.00624 3320623244.94637 41.30 342.8 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