IODP Proceedings, Volume 320/321 Site U1334, Table T17. Paleomagnetic data from archive-half sections from Hole U1334C (20 mT AF demagnetization). Notes: Time = since 1 January 1904. VGP = virtual geomagnetic pole. Exp Site Hole Core Type Section Half Offset (m) Depth-CSFA (m) Demag (mT) Declination (deg) Inclination (deg) Intensity (A/m) Time (s) Mean Observed Declination (deg) Declination Geographical Coordinates (0 to 360 deg) Declination Geographical Coordinates (-90 to 270 deg) CCSF Offset (m) Depth CCSF-A (m) Depth CCSF-B (m) VGP Latitude (deg) VGP Longitude (deg) Colatitude (deg) 320 1334 C 1 H 2 A 0.225 1.725 20 152.4 -32.7 1.954E-03 3322541142.42187 351.60 160.8 160.8 3.650 5.375 4.634 -68.9 347.6 158.9 320 1334 C 1 H 2 A 0.250 1.750 20 133.0 -29.5 2.056E-03 3322541147.35937 351.60 141.4 141.4 3.650 5.400 4.655 -51.5 333.4 141.5 320 1334 C 1 H 2 A 0.275 1.775 20 138.5 -32.1 1.644E-03 3322541152.28125 351.60 146.9 146.9 3.650 5.425 4.677 -56.4 337.6 146.4 320 1334 C 1 H 2 A 0.300 1.800 20 135.2 -43.2 1.143E-03 3322541157.21875 351.60 143.6 143.6 3.650 5.450 4.698 -51.3 348.8 141.3 320 1334 C 1 H 2 A 0.325 1.825 20 305.6 -66.8 8.219E-04 3322541162.15625 351.60 314.0 -46.0 3.650 5.475 4.720 20.0 77.9 70.0 320 1334 C 1 H 2 A 0.350 1.850 20 345.7 -34.9 1.353E-03 3322541167.07812 351.60 354.1 -5.9 3.650 5.500 4.741 62.2 60.0 27.8 320 1334 C 1 H 2 A 0.375 1.875 20 306.6 -24.7 1.860E-03 3322541172.01562 351.60 315.0 -45.0 3.650 5.525 4.763 40.6 113.3 49.4 320 1334 C 1 H 2 A 0.400 1.900 20 321.0 -29.5 1.576E-03 3322541176.93750 351.60 329.4 -30.6 3.650 5.550 4.784 51.5 99.9 38.5 320 1334 C 1 H 2 A 0.425 1.925 20 319.7 -26.9 1.708E-03 3322541181.87500 351.60 328.1 -31.9 3.650 5.575 4.806 51.3 103.1 38.7 320 1334 C 1 H 2 A 0.450 1.950 20 321.4 -25.3 1.758E-03 3322541186.79687 351.60 329.8 -30.2 3.650 5.600 4.828 53.2 102.9 36.8 320 1334 C 1 H 2 A 0.475 1.975 20 325.5 -24.0 1.722E-03 3322541191.73437 351.60 333.9 -26.1 3.650 5.625 4.849 56.9 99.9 33.1 320 1334 C 1 H 2 A 0.500 2.000 20 329.2 -29.1 1.346E-03 3322541196.65625 351.60 337.6 -22.4 3.650 5.650 4.871 57.6 91.3 32.4 320 1334 C 1 H 2 A 0.525 2.025 20 327.6 -56.8 7.402E-04 3322541201.59375 351.60 336.0 -24.0 3.650 5.675 4.892 39.4 72.7 50.6 320 1334 C 1 H 2 A 0.550 2.050 20 141.2 -34.1 1.030E-03 3322541206.53125 351.60 149.6 149.6 3.650 5.700 4.914 -58.6 341.1 148.6 320 1334 C 1 H 2 A 0.575 2.075 20 154.8 -15.3 1.689E-03 3322541211.45312 351.60 163.2 163.2 3.650 5.725 4.935 -73.4 318.5 163.4 320 1334 C 1 H 2 A 0.600 2.100 20 146.5 -20.2 1.683E-03 3322541216.39062 351.60 154.9 154.9 3.650 5.750 4.957 -65.1 325.6 155.1 320 1334 C 1 H 2 A 0.625 2.125 20 147.0 -19.6 1.784E-03 3322541221.31250 351.60 155.4 155.4 3.650 5.775 4.978 -65.6 324.8 155.6 320 1334 C 1 H 2 A 0.650 2.150 20 145.8 -19.7 1.740E-03 3322541226.25000 351.60 154.2 154.2 3.650 5.800 5.000 -64.4 324.8 154.4 320 1334 C 1 H 2 A 0.675 2.175 20 142.7 -21.0 1.442E-03 3322541231.18750 351.60 151.1 151.1 3.650 5.825 5.022 -61.4 326.1 151.4 320 1334 C 1 H 2 A 0.700 2.200 20 68.7 -40.8 6.218E-04 3322541236.10937 351.60 77.1 77.1 3.650 5.850 5.043 8.5 343.2 81.5 320 1334 C 1 H 2 A 0.725 2.225 20 357.0 -17.0 1.097E-03 3322541241.04687 351.60 5.4 5.4 3.650 5.875 5.065 72.5 30.0 17.5 320 1334 C 1 H 2 A 0.750 2.250 20 317.3 -4.6 1.703E-03 3322541245.98437 351.60 325.7 -34.3 3.650 5.900 5.086 54.3 122.7 35.7 320 1334 C 1 H 2 A 0.775 2.275 20 331.0 -7.4 1.999E-03 3322541250.90625 351.60 339.4 -20.6 3.650 5.925 5.108 66.4 109.1 23.7 320 1334 C 1 H 2 A 0.800 2.300 20 331.5 -5.2 2.302E-03 3322541255.84375 351.60 339.9 -20.1 3.650 5.950 5.129 67.3 110.9 22.7 320 1334 C 1 H 2 A 0.825 2.325 20 329.8 -3.8 2.335E-03 3322541260.78125 351.60 338.2 -21.8 3.650 5.975 5.151 66.1 114.4 23.9 320 1334 C 1 H 2 A 0.850 2.350 20 328.7 -2.9 2.463E-03 3322541265.70312 351.60 337.1 -22.9 3.650 6.000 5.172 65.3 116.5 24.7 320 1334 C 1 H 2 A 0.875 2.375 20 326.2 -1.7 3.517E-03 3322541270.64062 351.60 334.6 -25.4 3.650 6.025 5.194 63.2 119.9 26.8 320 1334 C 1 H 2 A 0.900 2.400 20 326.3 -1.1 3.122E-03 3322541275.56250 351.60 334.7 -25.3 3.650 6.050 5.216 63.4 120.5 26.6 320 1334 C 1 H 2 A 0.925 2.425 20 328.0 -0.4 2.965E-03 3322541280.50000 351.60 336.4 -23.6 3.650 6.075 5.237 65.1 119.9 24.9 320 1334 C 1 H 2 A 0.950 2.450 20 329.2 -0.3 2.492E-03 3322541285.42187 351.60 337.6 -22.4 3.650 6.100 5.259 66.2 119.0 23.8 320 1334 C 1 H 2 A 0.975 2.475 20 332.3 -0.9 2.148E-03 3322541290.35937 351.60 340.7 -19.3 3.650 6.125 5.280 69.0 115.2 21.0 320 1334 C 1 H 2 A 1.000 2.500 20 333.3 -2.9 1.916E-03 3322541295.28125 351.60 341.7 -18.3 3.650 6.150 5.302 69.5 111.4 20.6 320 1334 C 1 H 2 A 1.025 2.525 20 342.0 -8.1 1.293E-03 3322541300.21875 351.60 350.4 -9.6 3.650 6.175 5.323 74.6 86.8 15.4 320 1334 C 1 H 2 A 1.050 2.550 20 331.8 -10.2 1.425E-03 3322541305.15625 351.60 340.2 -19.8 3.650 6.200 5.345 66.3 105.0 23.7 320 1334 C 1 H 2 A 1.075 2.575 20 293.6 -21.9 6.752E-04 3322541310.07812 351.60 302.0 -58.0 3.650 6.225 5.366 29.2 120.2 60.9 320 1334 C 1 H 2 A 1.100 2.600 20 135.0 -12.7 9.612E-04 3322541315.01562 351.60 143.4 143.4 3.650 6.250 5.388 -53.7 318.0 143.7 320 1334 C 1 H 2 A 1.125 2.625 20 144.3 -11.1 9.040E-04 3322541319.93750 351.60 152.7 152.7 3.650 6.275 5.409 -62.8 314.7 152.8 320 1334 C 1 H 2 A 1.150 2.650 20 135.1 -4.6 2.085E-03 3322541324.87500 351.60 143.5 143.5 3.650 6.300 5.431 -53.2 311.1 143.2 320 1334 C 1 H 2 A 1.175 2.675 20 156.2 -3.7 2.899E-03 3322541329.79687 351.60 164.6 164.6 3.650 6.325 5.453 -73.5 297.0 163.5 320 1334 C 1 H 2 A 1.200 2.700 20 149.5 -4.6 2.412E-03 3322541334.73437 351.60 157.9 157.9 3.650 6.350 5.474 -67.3 304.7 157.3 320 1334 C 1 H 2 A 1.225 2.725 20 151.1 -3.7 2.477E-03 3322541339.65625 351.60 159.5 159.5 3.650 6.375 5.496 -68.7 302.3 158.7 320 1334 C 1 H 2 A 1.250 2.750 20 152.0 -3.4 2.300E-03 3322541344.59375 351.60 160.4 160.4 3.650 6.400 5.517 -69.5 301.2 159.5 320 1334 C 1 H 2 A 1.275 2.775 20 152.8 -4.6 2.145E-03 3322541349.53125 351.60 161.2 161.2 3.650 6.425 5.539 -70.4 302.1 160.4 320 1334 C 1 H 2 A 1.300 2.800 20 151.8 -5.5 2.289E-03 3322541354.45312 351.60 160.2 160.2 3.650 6.450 5.560 -69.6 304.2 159.6 320 1334 C 1 H 2 A 1.325 2.825 20 149.4 -6.2 2.549E-03 3322541359.39062 351.60 157.8 157.8 3.650 6.475 5.582 -67.4 306.8 157.4 320 1334 C 1 H 2 A 1.350 2.850 20 146.7 -6.6 2.609E-03 3322541364.31250 351.60 155.1 155.1 3.650 6.500 5.603 -64.8 308.7 154.8 320 1334 C 1 H 2 A 1.375 2.875 20 145.8 -7.2 2.541E-03 3322541369.25000 351.60 154.2 154.2 3.650 6.525 5.625 -64.0 309.8 154.0 320 1334 C 1 H 2 A 1.400 2.900 20 146.7 -7.6 2.686E-03 3322541374.17187 351.60 155.1 155.1 3.650 6.550 5.647 -64.9 309.9 154.9 320 1334 C 1 H 2 A 1.425 2.925 20 155.4 -5.8 3.655E-03 3322541379.10937 351.60 163.8 163.8 3.650 6.575 5.668 -73.1 301.4 163.1 320 1334 C 1 H 3 A 0.075 3.075 20 156.9 -10.2 2.523E-03 3322542188.40625 351.60 165.3 165.3 3.650 6.725 5.797 -75.1 307.9 165.1 320 1334 C 1 H 3 A 0.100 3.100 20 156.7 -11.4 2.456E-03 3322542193.32812 351.60 165.1 165.1 3.650 6.750 5.819 -75.0 310.4 165.0 320 1334 C 1 H 3 A 0.125 3.125 20 155.1 -13.0 2.271E-03 3322542198.26562 351.60 163.5 163.5 3.650 6.775 5.841 -73.6 314.2 163.6 320 1334 C 1 H 3 A 0.150 3.150 20 156.0 -13.2 2.215E-03 3322542203.18750 351.60 164.4 164.4 3.650 6.800 5.862 -74.5 314.2 164.5 320 1334 C 1 H 3 A 0.175 3.175 20 156.0 -12.8 2.035E-03 3322542208.12500 351.60 164.4 164.4 3.650 6.825 5.884 -74.5 313.4 164.5 320 1334 C 1 H 3 A 0.200 3.200 20 155.2 -11.6 1.795E-03 3322542213.06250 351.60 163.6 163.6 3.650 6.850 5.905 -73.6 311.6 163.6 320 1334 C 1 H 3 A 0.225 3.225 20 137.5 -17.7 9.262E-04 3322542217.98437 351.60 145.9 145.9 3.650 6.875 5.927 -56.3 322.4 146.3 320 1334 C 1 H 3 A 0.250 3.250 20 146.1 -16.6 7.658E-04 3322542222.92187 351.60 154.5 154.5 3.650 6.900 5.948 -64.8 321.0 154.8 320 1334 C 1 H 3 A 0.275 3.275 20 32.0 -33.5 3.203E-04 3322542227.85937 351.60 40.4 40.4 3.650 6.925 5.970 42.2 351.8 47.8 320 1334 C 1 H 3 A 0.300 3.300 20 354.1 -7.0 1.270E-03 3322542232.78125 351.60 2.5 2.5 3.650 6.950 5.991 78.2 35.7 11.8 320 1334 C 1 H 3 A 0.325 3.325 20 342.4 -6.8 1.019E-03 3322542237.71875 351.60 350.8 -9.2 3.650 6.975 6.013 75.4 87.2 14.6 320 1334 C 1 H 3 A 0.350 3.350 20 343.0 -3.8 1.260E-03 3322542242.65625 351.60 351.4 -8.6 3.650 7.000 6.034 76.9 89.3 13.1 320 1334 C 1 H 3 A 0.375 3.375 20 344.2 -2.3 1.220E-03 3322542247.57812 351.60 352.6 -7.4 3.650 7.025 6.056 78.3 87.2 11.8 320 1334 C 1 H 3 A 0.400 3.400 20 346.0 -1.5 1.112E-03 3322542252.51562 351.60 354.4 -5.6 3.650 7.050 6.078 79.6 80.8 10.4 320 1334 C 1 H 3 A 0.425 3.425 20 344.4 -1.9 1.116E-03 3322542257.43750 351.60 352.8 -7.2 3.650 7.075 6.099 78.5 87.1 11.5 320 1334 C 1 H 3 A 0.450 3.450 20 342.1 -2.3 1.267E-03 3322542262.37500 351.60 350.5 -9.5 3.650 7.100 6.121 76.8 94.4 13.2 320 1334 C 1 H 3 A 0.475 3.475 20 349.3 -1.2 2.342E-03 3322542267.29687 351.60 357.7 -2.3 3.650 7.125 6.142 81.1 63.1 8.9 320 1334 C 1 H 3 A 0.500 3.500 20 344.7 -0.7 1.632E-03 3322542272.23437 351.60 353.1 -6.9 3.650 7.150 6.164 79.2 87.8 10.8 320 1334 C 1 H 3 A 0.525 3.525 20 346.0 0.2 1.300E-03 3322542277.15625 351.60 354.4 -5.6 3.650 7.175 6.185 80.3 83.5 9.7 320 1334 C 1 H 3 A 0.550 3.550 20 342.2 -2.9 2.605E-04 3322542282.09375 351.60 350.6 -9.4 3.650 7.200 6.207 76.7 93.2 13.3 320 1334 C 1 H 3 A 0.575 3.575 20 169.9 -4.6 6.283E-04 3322542287.03125 351.60 178.3 178.3 3.650 7.225 6.228 -84.1 244.7 174.1 320 1334 C 1 H 3 A 0.600 3.600 20 148.8 -9.5 3.480E-04 3322542291.95312 351.60 157.2 157.2 3.650 7.250 6.250 -67.1 311.3 157.1 320 1334 C 1 H 3 A 0.625 3.625 20 14.4 -24.1 1.106E-04 3322542296.89062 351.60 22.8 22.8 3.650 7.275 6.272 59.4 0.1 30.6 320 1334 C 1 H 3 A 0.650 3.650 20 339.2 -1.5 5.061E-04 3322542301.81250 351.60 347.6 -12.4 3.650 7.300 6.293 74.9 103.3 15.2 320 1334 C 1 H 3 A 0.675 3.675 20 339.2 -0.6 7.526E-04 3322542306.75000 351.60 347.6 -12.4 3.650 7.325 6.315 75.1 104.7 14.9 320 1334 C 1 H 3 A 0.700 3.700 20 339.1 -4.1 4.836E-04 3322542311.67187 351.60 347.5 -12.5 3.650 7.350 6.336 74.0 99.7 16.0 320 1334 C 1 H 3 A 0.725 3.725 20 344.0 -24.1 1.824E-04 3322542316.60937 351.60 352.4 -7.6 3.650 7.375 6.358 68.1 68.2 22.0 320 1334 C 1 H 3 A 0.750 3.750 20 168.5 -10.4 5.776E-04 3322542321.53125 351.60 176.9 176.9 3.650 7.400 6.379 -85.9 276.4 175.9 320 1334 C 1 H 3 A 0.775 3.775 20 160.5 -10.6 6.104E-04 3322542326.46875 351.60 168.9 168.9 3.650 7.425 6.401 -78.7 305.2 168.7 320 1334 C 1 H 3 A 0.800 3.800 20 163.6 -7.3 8.334E-04 3322542331.40625 351.60 172.0 172.0 3.650 7.450 6.422 -80.9 289.9 170.9 320 1334 C 1 H 3 A 0.825 3.825 20 165.0 -5.7 8.912E-04 3322542336.32812 351.60 173.4 173.4 3.650 7.475 6.444 -81.7 280.3 171.7 320 1334 C 1 H 3 A 0.850 3.850 20 172.8 -2.4 1.876E-03 3322542341.26562 351.60 181.2 181.2 3.650 7.500 6.466 -83.1 218.0 173.1 320 1334 C 1 H 3 A 0.875 3.875 20 164.7 -4.2 1.175E-03 3322542346.20312 351.60 173.1 173.1 3.650 7.525 6.487 -81.0 277.8 171.0 320 1334 C 1 H 3 A 0.900 3.900 20 164.7 -3.4 1.344E-03 3322542351.12500 351.60 173.1 173.1 3.650 7.550 6.509 -80.7 275.9 170.7 320 1334 C 1 H 3 A 0.925 3.925 20 164.5 -2.7 1.272E-03 3322542356.06250 351.60 172.9 172.9 3.650 7.575 6.530 -80.3 275.2 170.3 320 1334 C 1 H 3 A 0.950 3.950 20 165.6 -3.2 8.831E-04 3322542361.00000 351.60 174.0 174.0 3.650 7.600 6.552 -81.2 271.4 171.2 320 1334 C 1 H 3 A 0.975 3.975 20 172.2 -4.5 5.613E-04 3322542365.92187 351.60 180.6 180.6 3.650 7.625 6.573 -84.2 222.1 174.2 320 1334 C 1 H 3 A 1.000 4.000 20 359.0 -5.7 4.581E-04 3322542370.85937 351.60 7.4 7.4 3.650 7.650 6.595 76.9 13.5 13.1 320 1334 C 1 H 3 A 1.025 4.025 20 194.7 -22.1 1.161E-04 3322542375.78125 351.60 203.1 203.1 3.650 7.675 6.616 -67.0 127.5 157.0 320 1334 C 1 H 3 A 1.050 4.050 20 335.9 -17.1 1.600E-04 3322542380.71875 351.60 344.3 -15.7 3.650 7.700 6.638 67.1 91.4 22.9 320 1334 C 1 H 3 A 1.075 4.075 20 352.1 -2.5 1.085E-03 3322542385.65625 351.60 0.5 0.5 3.650 7.725 6.659 80.7 44.9 9.3 320 1334 C 1 H 3 A 1.100 4.100 20 344.8 -2.1 1.077E-03 3322542390.59375 351.60 353.2 -6.8 3.650 7.750 6.681 78.7 85.2 11.3 320 1334 C 1 H 3 A 1.125 4.125 20 344.3 -0.8 1.440E-03 3322542395.51562 351.60 352.7 -7.3 3.650 7.775 6.703 78.9 89.3 11.1 320 1334 C 1 H 3 A 1.150 4.150 20 344.6 -0.1 1.492E-03 3322542400.45312 351.60 353.0 -7.0 3.650 7.800 6.724 79.4 89.3 10.7 320 1334 C 1 H 3 A 1.175 4.175 20 344.6 0.0 1.317E-03 3322542405.39062 351.60 353.0 -7.0 3.650 7.825 6.746 79.4 89.5 10.6 320 1334 C 1 H 3 A 1.200 4.200 20 344.3 -0.8 1.200E-03 3322542410.31250 351.60 352.7 -7.3 3.650 7.850 6.767 78.9 89.3 11.1 320 1334 C 1 H 3 A 1.225 4.225 20 344.1 -1.8 1.048E-03 3322542415.25000 351.60 352.5 -7.5 3.650 7.875 6.789 78.4 88.4 11.6 320 1334 C 1 H 3 A 1.250 4.250 20 345.2 -3.2 8.232E-04 3322542420.17187 351.60 353.6 -6.4 3.650 7.900 6.810 78.5 81.9 11.5 320 1334 C 1 H 3 A 1.275 4.275 20 354.7 -11.5 3.303E-04 3322542425.10937 351.60 3.1 3.1 3.650 7.925 6.832 75.9 35.3 14.2 320 1334 C 1 H 3 A 1.300 4.300 20 83.7 -45.2 1.215E-04 3322542430.03125 351.60 92.1 92.1 3.650 7.950 6.853 -5.5 344.3 95.5 320 1334 C 1 H 3 A 1.325 4.325 20 171.5 -6.2 8.779E-04 3322542434.96875 351.60 179.9 179.9 3.650 7.975 6.875 -85.1 229.2 175.1 320 1334 C 1 H 3 A 1.350 4.350 20 143.8 -23.4 2.492E-04 3322542439.90625 351.60 152.2 152.2 3.650 8.000 6.897 -62.3 329.1 152.3 320 1334 C 1 H 3 A 1.375 4.375 20 132.3 -47.1 1.576E-04 3322542444.82812 351.60 140.7 140.7 3.650 8.025 6.918 -47.8 351.9 137.8 320 1334 C 1 H 3 A 1.400 4.400 20 350.7 -35.5 2.308E-04 3322542449.76562 351.60 359.1 -0.9 3.650 8.050 6.940 62.4 49.9 27.6 320 1334 C 1 H 3 A 1.425 4.425 20 353.3 -6.5 1.134E-03 3322542454.68750 351.60 1.7 1.7 3.650 8.075 6.961 78.6 39.4 11.4 320 1334 C 1 H 4 A 0.075 4.575 20 348.4 6.4 3.034E-03 3322543229.85937 351.60 356.8 -3.2 3.650 8.225 7.091 84.3 81.8 5.8 320 1334 C 1 H 4 A 0.100 4.600 20 348.7 5.2 3.134E-03 3322543234.78125 351.60 357.1 -2.9 3.650 8.250 7.112 83.9 76.3 6.1 320 1334 C 1 H 4 A 0.125 4.625 20 348.1 4.1 2.789E-03 3322543239.71875 351.60 356.5 -3.5 3.650 8.275 7.134 83.1 78.6 6.9 320 1334 C 1 H 4 A 0.150 4.650 20 348.2 2.7 2.545E-03 3322543244.65625 351.60 356.6 -3.4 3.650 8.300 7.155 82.5 75.2 7.5 320 1334 C 1 H 4 A 0.175 4.675 20 348.1 1.8 2.266E-03 3322543249.57812 351.60 356.5 -3.5 3.650 8.325 7.177 82.1 74.4 7.9 320 1334 C 1 H 4 A 0.200 4.700 20 348.2 1.4 2.088E-03 3322543254.51562 351.60 356.6 -3.4 3.650 8.350 7.198 82.0 73.1 8.1 320 1334 C 1 H 4 A 0.225 4.725 20 348.4 2.1 1.987E-03 3322543259.45312 351.60 356.8 -3.2 3.650 8.375 7.220 82.4 72.8 7.7 320 1334 C 1 H 4 A 0.250 4.750 20 348.8 3.2 2.026E-03 3322543264.37500 351.60 357.2 -2.8 3.650 8.400 7.241 83.0 71.7 7.0 320 1334 C 1 H 4 A 0.275 4.775 20 349.6 3.5 2.095E-03 3322543269.31250 351.60 358.0 -2.0 3.650 8.425 7.263 83.4 65.8 6.6 320 1334 C 1 H 4 A 0.300 4.800 20 350.6 3.6 2.145E-03 3322543274.25000 351.60 359.0 -1.0 3.650 8.450 7.284 83.7 57.2 6.3 320 1334 C 1 H 4 A 0.325 4.825 20 351.1 3.4 2.179E-03 3322543279.17187 351.60 359.5 -0.5 3.650 8.475 7.306 83.7 52.6 6.3 320 1334 C 1 H 4 A 0.350 4.850 20 351.2 2.9 2.284E-03 3322543284.10937 351.60 359.6 -0.4 3.650 8.500 7.328 83.4 51.5 6.6 320 1334 C 1 H 4 A 0.375 4.875 20 352.5 2.8 2.410E-03 3322543289.03125 351.60 0.9 0.9 3.650 8.525 7.349 83.3 40.3 6.7 320 1334 C 1 H 4 A 0.400 4.900 20 353.8 2.8 2.454E-03 3322543293.96875 351.60 2.2 2.2 3.650 8.550 7.371 83.1 29.6 7.0 320 1334 C 1 H 4 A 0.425 4.925 20 353.6 2.8 2.442E-03 3322543298.90625 351.60 2.0 2.0 3.650 8.575 7.392 83.1 31.1 6.9 320 1334 C 1 H 4 A 0.450 4.950 20 353.4 2.6 2.420E-03 3322543303.84375 351.60 1.8 1.8 3.650 8.600 7.414 83.1 33.0 6.9 320 1334 C 1 H 4 A 0.475 4.975 20 352.3 2.4 2.232E-03 3322543308.76562 351.60 0.7 0.7 3.650 8.625 7.435 83.2 42.1 6.8 320 1334 C 1 H 4 A 0.500 5.000 20 346.1 -8.9 1.130E-03 3322543313.70312 351.60 354.5 -5.5 3.650 8.650 7.457 76.4 72.0 13.6 320 1334 C 1 H 4 A 0.525 5.025 20 350.7 -1.1 1.106E-03 3322543318.64062 351.60 359.1 -0.9 3.650 8.675 7.478 81.4 54.1 8.6 320 1334 C 1 H 4 A 0.550 5.050 20 344.2 -13.3 2.851E-04 3322543323.57812 351.60 352.6 -7.4 3.650 8.700 7.500 73.5 74.8 16.5 320 1334 C 1 H 4 A 0.575 5.075 20 176.1 -6.5 7.898E-04 3322543328.50000 351.60 184.5 184.5 3.650 8.725 7.522 -83.5 184.4 173.5 320 1334 C 1 H 4 A 0.600 5.100 20 148.0 -21.3 2.356E-04 3322543333.43750 351.60 156.4 156.4 3.650 8.750 7.543 -66.5 327.3 156.5 320 1334 C 1 H 4 A 0.625 5.125 20 152.9 -13.2 3.074E-04 3322543338.37500 351.60 161.3 161.3 3.650 8.775 7.565 -71.4 315.2 161.4 320 1334 C 1 H 4 A 0.650 5.150 20 153.3 -12.9 2.680E-04 3322543343.29687 351.60 161.7 161.7 3.650 8.800 7.586 -71.8 314.6 161.8 320 1334 C 1 H 4 A 0.675 5.175 20 168.3 -6.1 2.893E-04 3322543348.23437 351.60 176.7 176.7 3.650 8.825 7.608 -84.1 261.8 174.1 320 1334 C 1 H 4 A 0.700 5.200 20 176.3 -0.8 3.286E-04 3322543353.15625 351.60 184.7 184.7 3.650 8.850 7.629 -81.1 196.2 171.1 320 1334 C 1 H 4 A 0.725 5.225 20 176.8 1.0 3.975E-04 3322543358.09375 351.60 185.2 185.2 3.650 8.875 7.651 -80.0 196.4 170.0 320 1334 C 1 H 4 A 0.750 5.250 20 176.8 0.0 4.387E-04 3322543363.03125 351.60 185.2 185.2 3.650 8.900 7.672 -80.5 194.9 170.5 320 1334 C 1 H 4 A 0.775 5.275 20 177.9 -2.8 4.170E-04 3322543367.95312 351.60 186.3 186.3 3.650 8.925 7.694 -80.9 184.2 170.9 320 1334 C 1 H 4 A 0.800 5.300 20 172.9 -6.0 4.330E-04 3322543372.89062 351.60 181.3 181.3 3.650 8.950 7.716 -84.8 213.4 174.8 320 1334 C 1 H 4 A 0.825 5.325 20 174.5 -15.5 2.558E-04 3322543377.81250 351.60 182.9 182.9 3.650 8.975 7.737 -87.1 139.9 177.1 320 1334 C 1 H 4 A 0.850 5.350 20 162.0 -21.4 1.790E-04 3322543382.75000 351.60 170.4 170.4 3.650 9.000 7.759 -80.0 336.8 170.0 320 1334 C 1 H 4 A 0.875 5.375 20 129.4 -59.3 5.878E-05 3322543387.68750 351.60 137.8 137.8 3.650 9.025 7.780 -40.6 5.4 130.6 320 1334 C 1 H 4 A 0.900 5.400 20 353.7 -19.9 1.129E-04 3322543392.60937 351.60 2.1 2.1 3.650 9.050 7.802 71.6 41.5 18.4 320 1334 C 1 H 4 A 0.925 5.425 20 351.6 -4.1 2.553E-04 3322543397.54687 351.60 0.0 0.0 3.650 9.075 7.823 80.0 48.0 10.1 320 1334 C 1 H 4 A 0.950 5.450 20 356.6 8.4 1.612E-04 3322543402.48437 351.60 5.0 5.0 3.650 9.100 7.845 83.8 355.0 6.2 320 1334 C 1 H 4 A 0.975 5.475 20 8.7 34.4 8.820E-05 3322543407.40625 351.60 17.1 17.1 3.650 9.125 7.866 70.1 283.0 19.9 320 1334 C 1 H 4 A 1.000 5.500 20 159.7 34.1 7.164E-05 3322543412.34375 351.60 168.1 168.1 3.650 9.150 7.888 -60.8 251.7 150.8 320 1334 C 1 H 4 A 1.025 5.525 20 256.6 18.2 2.575E-05 3322543417.28125 351.60 265.0 265.0 3.650 9.175 7.909 -3.6 148.0 93.6 320 1334 C 1 H 4 A 1.050 5.550 20 15.5 -53.9 4.502E-05 3322543422.20312 351.60 23.9 23.9 3.650 9.200 7.931 41.9 21.4 48.1 320 1334 C 1 H 4 A 1.075 5.575 20 163.9 -29.1 2.104E-04 3322543427.14062 351.60 172.3 172.3 3.650 9.225 7.953 -79.3 3.8 169.3 320 1334 C 1 H 4 A 1.100 5.600 20 172.4 -16.8 7.038E-04 3322543432.06250 351.60 180.8 180.8 3.650 9.250 7.974 -89.0 101.5 179.0 320 1334 C 1 H 4 A 1.125 5.625 20 175.1 -10.3 1.377E-03 3322543437.00000 351.60 183.5 183.5 3.650 9.275 7.996 -85.5 176.7 175.5 320 1334 C 1 H 4 A 1.150 5.650 20 174.1 -10.5 1.197E-03 3322543441.92187 351.60 182.5 182.5 3.650 9.300 8.017 -86.3 185.3 176.3 320 1334 C 1 H 4 A 1.175 5.675 20 172.6 -8.3 1.246E-03 3322543446.85937 351.60 181.0 181.0 3.650 9.325 8.039 -86.0 213.4 176.0 320 1334 C 1 H 4 A 1.200 5.700 20 172.2 -5.4 1.375E-03 3322543451.78125 351.60 180.6 180.6 3.650 9.350 8.060 -84.7 221.6 174.7 320 1334 C 1 H 4 A 1.225 5.725 20 174.7 -2.4 1.602E-03 3322543456.71875 351.60 183.1 183.1 3.650 9.375 8.082 -82.5 203.4 172.5 320 1334 C 1 H 4 A 1.250 5.750 20 176.9 0.0 2.375E-03 3322543461.65625 351.60 185.3 185.3 3.650 9.400 8.103 -80.4 194.3 170.4 320 1334 C 1 H 4 A 1.275 5.775 20 176.7 0.1 2.009E-03 3322543466.57812 351.60 185.1 185.1 3.650 9.425 8.125 -80.5 195.5 170.5 320 1334 C 1 H 4 A 1.300 5.800 20 175.9 -1.6 2.293E-03 3322543471.51562 351.60 184.3 184.3 3.650 9.450 8.147 -81.6 197.1 171.6 320 1334 C 1 H 4 A 1.325 5.825 20 174.6 -3.9 2.488E-03 3322543476.43750 351.60 183.0 183.0 3.650 9.475 8.168 -83.3 201.6 173.3 320 1334 C 1 H 4 A 1.350 5.850 20 173.1 -8.3 2.578E-03 3322543481.37500 351.60 181.5 181.5 3.650 9.500 8.190 -85.9 206.7 175.9 320 1334 C 1 H 4 A 1.375 5.875 20 170.8 -7.2 2.399E-03 3322543486.29687 351.60 179.2 179.2 3.650 9.525 8.211 -85.5 238.4 175.5 320 1334 C 1 H 4 A 1.400 5.900 20 170.7 -8.0 2.175E-03 3322543491.23437 351.60 179.1 179.1 3.650 9.550 8.233 -85.9 240.8 175.9 320 1334 C 1 H 4 A 1.425 5.925 20 172.3 -8.7 2.075E-03 3322543496.15625 351.60 180.7 180.7 3.650 9.575 8.254 -86.3 217.1 176.3 320 1334 C 1 H 5 A 0.075 6.075 20 179.7 -11.2 3.079E-03 3322544248.73437 351.60 188.1 188.1 3.650 9.725 8.384 -81.6 153.8 171.6 320 1334 C 1 H 5 A 0.100 6.100 20 180.9 -11.3 3.282E-03 3322544253.65625 351.60 189.3 189.3 3.650 9.750 8.405 -80.5 151.4 170.5 320 1334 C 1 H 5 A 0.125 6.125 20 182.1 -11.0 3.493E-03 3322544258.59375 351.60 190.5 190.5 3.650 9.775 8.427 -79.3 150.6 169.3 320 1334 C 1 H 5 A 0.150 6.150 20 184.6 -10.0 3.865E-03 3322544263.53125 351.60 193.0 193.0 3.650 9.800 8.448 -76.8 150.1 166.8 320 1334 C 1 H 5 A 0.175 6.175 20 184.9 -9.3 4.035E-03 3322544268.46875 351.60 193.3 193.3 3.650 9.825 8.470 -76.4 151.3 166.4 320 1334 C 1 H 5 A 0.200 6.200 20 182.9 -9.0 3.899E-03 3322544273.39062 351.60 191.3 191.3 3.650 9.850 8.491 -78.2 154.5 168.3 320 1334 C 1 H 5 A 0.225 6.225 20 181.7 -9.5 3.585E-03 3322544278.32812 351.60 190.1 190.1 3.650 9.875 8.513 -79.5 155.2 169.5 320 1334 C 1 H 5 A 0.250 6.250 20 181.5 -10.4 3.260E-03 3322544283.26562 351.60 189.9 189.9 3.650 9.900 8.534 -79.8 153.1 169.8 320 1334 C 1 H 5 A 0.275 6.275 20 181.2 -10.5 3.139E-03 3322544288.20312 351.60 189.6 189.6 3.650 9.925 8.556 -80.1 153.3 170.1 320 1334 C 1 H 5 A 0.300 6.300 20 181.4 -9.9 3.087E-03 3322544293.12500 351.60 189.8 189.8 3.650 9.950 8.578 -79.8 154.6 169.8 320 1334 C 1 H 5 A 0.325 6.325 20 182.8 -11.9 2.365E-03 3322544298.04687 351.60 191.2 191.2 3.650 9.975 8.599 -78.7 147.4 168.7 320 1334 C 1 H 5 A 0.350 6.350 20 184.3 -16.7 1.450E-03 3322544302.98437 351.60 192.7 192.7 3.650 10.000 8.621 -77.4 134.7 167.4 320 1334 C 1 H 5 A 0.375 6.375 20 183.6 -2.9 1.533E-03 3322544307.92187 351.60 192.0 192.0 3.650 10.025 8.642 -76.4 166.1 166.4 320 1334 C 1 H 5 A 0.400 6.400 20 187.6 -16.1 7.190E-04 3322544312.85937 351.60 196.0 196.0 3.650 10.050 8.664 -74.2 136.1 164.2 320 1334 C 1 H 5 A 0.425 6.425 20 187.2 -6.2 9.909E-04 3322544317.78125 351.60 195.6 195.6 3.650 10.075 8.685 -73.7 154.6 163.7 320 1334 C 1 H 5 A 0.450 6.450 20 187.5 -3.5 1.324E-03 3322544322.71875 351.60 195.9 195.9 3.650 10.100 8.707 -73.0 158.7 163.0 320 1334 C 1 H 5 A 0.475 6.475 20 187.5 -2.9 1.693E-03 3322544327.65625 351.60 195.9 195.9 3.650 10.125 8.728 -72.9 159.7 162.9 320 1334 C 1 H 5 A 0.500 6.500 20 189.1 -3.2 1.764E-03 3322544332.59375 351.60 197.5 197.5 3.650 10.150 8.750 -71.4 157.3 161.4 320 1334 C 1 H 5 A 0.525 6.525 20 188.9 -4.2 1.449E-03 3322544337.51562 351.60 197.3 197.3 3.650 10.175 8.772 -71.8 156.0 161.8 320 1334 C 1 H 5 A 0.550 6.550 20 189.5 -5.8 9.881E-04 3322544342.48437 351.60 197.9 197.9 3.650 10.200 8.793 -71.5 153.0 161.5 320 1334 C 1 H 5 A 0.575 6.575 20 192.0 -7.3 5.654E-04 3322544347.40625 351.60 200.4 200.4 3.650 10.225 8.815 -69.3 148.9 159.3 320 1334 C 1 H 5 A 0.600 6.600 20 348.3 24.9 3.209E-04 3322544352.34375 351.60 356.7 -3.3 3.650 10.250 8.836 84.0 195.7 6.0 320 1334 C 1 H 5 A 0.625 6.625 20 356.9 6.6 1.173E-03 3322544357.28125 351.60 5.3 5.3 3.650 10.275 8.858 82.9 359.4 7.1 320 1334 C 1 H 5 A 0.650 6.650 20 357.3 11.8 2.002E-03 3322544362.20312 351.60 5.7 5.7 3.650 10.300 8.879 84.0 337.5 6.0 320 1334 C 1 H 5 A 0.675 6.675 20 357.4 11.3 2.093E-03 3322544367.14062 351.60 5.8 5.8 3.650 10.325 8.901 83.8 339.4 6.2 320 1334 C 1 H 5 A 0.700 6.700 20 358.7 14.0 2.033E-03 3322544372.06250 351.60 7.1 7.1 3.650 10.350 8.922 82.9 324.8 7.1 320 1334 C 1 H 5 A 0.725 6.725 20 0.6 15.8 1.905E-03 3322544377.00000 351.60 9.0 9.0 3.650 10.375 8.944 81.1 317.1 8.9 320 1334 C 1 H 5 A 0.750 6.750 20 2.3 15.4 1.913E-03 3322544381.92187 351.60 10.7 10.7 3.650 10.400 8.966 79.4 318.1 10.6 320 1334 C 1 H 5 A 0.775 6.775 20 0.9 13.7 2.096E-03 3322544386.85937 351.60 9.3 9.3 3.650 10.425 8.987 80.7 323.9 9.3 320 1334 C 1 H 5 A 0.800 6.800 20 0.3 12.3 2.380E-03 3322544391.78125 351.60 8.7 8.7 3.650 10.450 9.009 81.2 329.1 8.8 320 1334 C 1 H 5 A 0.825 6.825 20 1.5 15.9 2.970E-03 3322544396.71875 351.60 9.9 9.9 3.650 10.475 9.030 80.2 316.7 9.8 320 1334 C 1 H 5 A 0.850 6.850 20 2.7 14.3 2.333E-03 3322544401.65625 351.60 11.1 11.1 3.650 10.500 9.052 79.0 321.1 11.0 320 1334 C 1 H 5 A 0.875 6.875 20 3.0 17.5 1.944E-03 3322544406.59375 351.60 11.4 11.4 3.650 10.525 9.073 78.7 312.3 11.3 320 1334 C 1 H 5 A 0.900 6.900 20 0.4 22.5 1.573E-03 3322544411.51562 351.60 8.8 8.8 3.650 10.550 9.095 80.6 294.2 9.4 320 1334 C 1 H 5 A 0.925 6.925 20 357.7 22.3 1.678E-03 3322544416.45312 351.60 6.1 6.1 3.650 10.575 9.116 83.0 286.7 7.0 320 1334 C 1 H 5 A 0.950 6.950 20 358.2 19.4 2.117E-03 3322544421.39062 351.60 6.6 6.6 3.650 10.600 9.138 83.2 300.6 6.8 320 1334 C 1 H 5 A 0.975 6.975 20 0.4 18.6 2.360E-03 3322544426.31250 351.60 8.8 8.8 3.650 10.625 9.159 81.2 307.3 8.8 320 1334 C 1 H 5 A 1.000 7.000 20 1.8 15.2 2.806E-03 3322544431.25000 351.60 10.2 10.2 3.650 10.650 9.181 79.9 318.8 10.1 320 1334 C 1 H 5 A 1.025 7.025 20 3.8 13.1 2.865E-03 3322544436.17187 351.60 12.2 12.2 3.650 10.675 9.203 77.8 323.7 12.2 320 1334 C 1 H 5 A 1.050 7.050 20 3.7 9.4 3.057E-03 3322544441.10937 351.60 12.1 12.1 3.650 10.700 9.224 77.5 332.5 12.5 320 1334 C 1 H 5 A 1.075 7.075 20 4.5 6.6 3.219E-03 3322544446.04687 351.60 12.9 12.9 3.650 10.725 9.246 76.3 337.4 13.7 320 1334 C 1 H 5 A 1.100 7.100 20 3.8 5.3 3.678E-03 3322544450.98437 351.60 12.2 12.2 3.650 10.750 9.267 76.7 341.1 13.3 320 1334 C 1 H 5 A 1.125 7.125 20 0.7 6.3 3.704E-03 3322544455.90625 351.60 9.1 9.1 3.650 10.775 9.289 79.7 345.7 10.3 320 1334 C 1 H 5 A 1.150 7.150 20 358.9 7.2 3.944E-03 3322544460.84375 351.60 7.3 7.3 3.650 10.800 9.310 81.5 348.7 8.5 320 1334 C 1 H 5 A 1.175 7.175 20 359.2 8.6 3.970E-03 3322544465.78125 351.60 7.6 7.6 3.650 10.825 9.332 81.6 343.5 8.4 320 1334 C 1 H 5 A 1.200 7.200 20 1.3 10.3 3.826E-03 3322544470.70312 351.60 9.7 9.7 3.650 10.850 9.353 80.0 333.7 10.0 320 1334 C 1 H 5 A 1.225 7.225 20 3.8 12.6 3.590E-03 3322544475.64062 351.60 12.2 12.2 3.650 10.875 9.375 77.8 324.9 12.2 320 1334 C 1 H 5 A 1.250 7.250 20 5.2 17.0 3.361E-03 3322544480.56250 351.60 13.6 13.6 3.650 10.900 9.397 76.5 314.1 13.5 320 1334 C 1 H 5 A 1.275 7.275 20 7.0 21.2 2.170E-03 3322544485.50000 351.60 15.4 15.4 3.650 10.925 9.418 74.5 305.7 15.5 320 1334 C 1 H 5 A 1.300 7.300 20 5.8 19.0 1.284E-03 3322544490.42187 351.60 14.2 14.2 3.650 10.950 9.440 75.9 309.8 14.1 320 1334 C 1 H 5 A 1.325 7.325 20 1.5 52.2 5.964E-04 3322544495.35937 351.60 9.9 9.9 3.650 10.975 9.461 63.6 247.0 26.5 320 1334 C 1 H 5 A 1.350 7.350 20 348.5 64.0 3.973E-04 3322544500.28125 351.60 356.9 -3.1 3.650 11.000 9.483 52.2 224.5 37.8 320 1334 C 1 H 5 A 1.375 7.375 20 220.1 54.1 2.240E-04 3322544505.21875 351.60 228.5 228.5 3.650 11.025 9.504 -27.4 184.1 117.4 320 1334 C 1 H 5 A 1.400 7.400 20 279.7 75.7 3.173E-04 3322544510.15625 351.60 288.1 -71.9 3.650 11.050 9.526 15.3 201.4 74.7 320 1334 C 1 H 5 A 1.425 7.425 20 301.6 67.2 3.404E-04 3322544515.07812 351.60 310.0 -50.0 3.650 11.075 9.547 31.1 192.9 58.9 320 1334 C 1 H 6 A 0.075 7.575 20 186.1 1.5 1.734E-03 3322545706.57812 351.60 194.5 194.5 3.650 11.225 9.677 -73.1 168.6 163.1 320 1334 C 1 H 6 A 0.100 7.600 20 184.2 4.5 1.380E-03 3322545711.51562 351.60 192.6 192.6 3.650 11.250 9.698 -73.8 176.7 163.8 320 1334 C 1 H 6 A 0.125 7.625 20 181.6 8.9 1.041E-03 3322545716.43750 351.60 190.0 190.0 3.650 11.275 9.720 -74.0 189.1 164.0 320 1334 C 1 H 6 A 0.150 7.650 20 182.9 12.7 8.405E-04 3322545721.37500 351.60 191.3 191.3 3.650 11.300 9.741 -71.7 189.7 161.7 320 1334 C 1 H 6 A 0.175 7.675 20 351.7 44.7 3.241E-04 3322545726.29687 351.60 0.1 0.1 3.650 11.325 9.763 71.7 228.3 18.3 320 1334 C 1 H 6 A 0.200 7.700 20 0.1 21.6 1.124E-03 3322545731.23437 351.60 8.5 8.5 3.650 11.350 9.784 81.0 296.5 9.0 320 1334 C 1 H 6 A 0.225 7.725 20 1.0 18.6 1.281E-03 3322545736.15625 351.60 9.4 9.4 3.650 11.375 9.806 80.6 307.9 9.4 320 1334 C 1 H 6 A 0.250 7.750 20 0.7 17.8 1.462E-03 3322545741.09375 351.60 9.1 9.1 3.650 11.400 9.828 80.9 310.3 9.1 320 1334 C 1 H 6 A 0.275 7.775 20 1.1 18.5 1.367E-03 3322545746.03125 351.60 9.5 9.5 3.650 11.425 9.849 80.5 308.3 9.5 320 1334 C 1 H 6 A 0.300 7.800 20 1.5 10.3 2.204E-03 3322545750.95312 351.60 9.9 9.9 3.650 11.450 9.871 79.8 333.4 10.2 320 1334 C 1 H 6 A 0.325 7.825 20 3.4 11.4 1.852E-03 3322545755.89062 351.60 11.8 11.8 3.650 11.475 9.892 78.1 328.1 11.9 320 1334 C 1 H 6 A 0.350 7.850 20 3.2 9.6 2.165E-03 3322545760.81250 351.60 11.6 11.6 3.650 11.500 9.914 78.1 332.7 12.0 320 1334 C 1 H 6 A 0.375 7.875 20 3.6 9.2 2.314E-03 3322545765.75000 351.60 12.0 12.0 3.650 11.525 9.935 77.6 333.1 12.4 320 1334 C 1 H 6 A 0.400 7.900 20 4.3 10.1 2.136E-03 3322545770.67187 351.60 12.7 12.7 3.650 11.550 9.957 77.1 330.2 13.0 320 1334 C 1 H 6 A 0.425 7.925 20 4.5 12.5 1.585E-03 3322545775.60937 351.60 12.9 12.9 3.650 11.575 9.978 77.1 324.6 12.9 320 1334 C 1 H 6 A 0.450 7.950 20 20.8 40.0 4.005E-04 3322545780.53125 351.60 29.2 29.2 3.650 11.600 10.000 58.3 287.0 31.7 320 1334 C 1 H 6 A 0.475 7.975 20 172.7 14.7 7.099E-04 3322545785.46875 351.60 181.1 181.1 3.650 11.625 10.022 -74.5 224.0 164.5 320 1334 C 1 H 6 A 0.500 8.000 20 179.5 5.5 1.628E-03 3322545790.40625 351.60 187.9 187.9 3.650 11.650 10.043 -76.7 191.5 166.7 320 1334 C 1 H 6 A 0.525 8.025 20 181.7 4.5 2.292E-03 3322545795.34375 351.60 190.1 190.1 3.650 11.675 10.065 -75.6 183.1 165.6 320 1334 C 1 H 6 A 0.550 8.050 20 184.5 5.3 2.274E-03 3322545800.26562 351.60 192.9 192.9 3.650 11.700 10.086 -73.3 177.2 163.3 320 1334 C 1 H 6 A 0.575 8.075 20 186.5 5.5 2.289E-03 3322545805.20312 351.60 194.9 194.9 3.650 11.725 10.108 -71.7 173.3 161.7 320 1334 C 1 H 6 A 0.600 8.100 20 187.3 4.6 2.433E-03 3322545810.14062 351.60 195.7 195.7 3.650 11.750 10.129 -71.3 170.7 161.3 320 1334 C 1 H 6 A 0.625 8.125 20 185.9 2.8 3.192E-03 3322545815.06250 351.60 194.3 194.3 3.650 11.775 10.151 -72.9 170.8 162.9 320 1334 C 1 H 6 A 0.650 8.150 20 185.3 2.0 3.384E-03 3322545820.00000 351.60 193.7 193.7 3.650 11.800 10.172 -73.6 170.8 163.6 320 1334 C 1 H 6 A 0.675 8.175 20 185.3 -3.0 3.380E-03 3322545824.92187 351.60 193.7 193.7 3.650 11.825 10.194 -74.9 162.8 164.9 320 1334 C 1 H 6 A 0.700 8.200 20 185.5 -0.8 3.067E-03 3322545829.85937 351.60 193.9 193.9 3.650 11.850 10.216 -74.2 166.1 164.2 320 1334 C 1 H 6 A 0.725 8.225 20 184.9 -2.3 2.669E-03 3322545834.78125 351.60 193.3 193.3 3.650 11.875 10.237 -75.1 164.7 165.1 320 1334 C 1 H 6 A 0.750 8.250 20 184.8 -3.4 2.378E-03 3322545839.71875 351.60 193.2 193.2 3.650 11.900 10.259 -75.4 162.9 165.4 320 1334 C 1 H 6 A 0.775 8.275 20 185.3 -3.6 2.240E-03 3322545844.65625 351.60 193.7 193.7 3.650 11.925 10.280 -75.0 161.8 165.0 320 1334 C 1 H 6 A 0.800 8.300 20 184.6 -3.0 2.071E-03 3322545849.57812 351.60 193.0 193.0 3.650 11.950 10.302 -75.5 164.0 165.5 320 1334 C 1 H 6 A 0.825 8.325 20 183.7 -2.4 1.538E-03 3322545854.51562 351.60 192.1 192.1 3.650 11.975 10.323 -76.2 166.9 166.2 320 1334 C 1 H 6 A 0.850 8.350 20 188.4 -2.6 5.356E-04 3322545859.45312 351.60 196.8 196.8 3.650 12.000 10.345 -72.0 159.0 162.0 320 1334 C 1 H 6 A 0.875 8.375 20 352.6 -1.5 2.419E-04 3322545864.37500 351.60 1.0 1.0 3.650 12.025 10.366 81.2 41.5 8.8 320 1334 C 1 H 6 A 0.900 8.400 20 2.7 0.4 1.133E-03 3322545869.31250 351.60 11.1 11.1 3.650 12.050 10.388 76.5 352.7 13.5 320 1334 C 1 H 6 A 0.925 8.425 20 8.8 2.0 9.644E-04 3322545874.25000 351.60 17.2 17.2 3.650 12.075 10.409 71.5 339.4 18.5 320 1334 C 1 H 6 A 0.950 8.450 20 10.5 2.8 1.120E-03 3322545879.18750 351.60 18.9 18.9 3.650 12.100 10.431 70.1 336.4 20.0 320 1334 C 1 H 6 A 0.975 8.475 20 13.6 3.5 8.849E-04 3322545884.10937 351.60 22.0 22.0 3.650 12.125 10.453 67.2 332.8 22.8 320 1334 C 1 H 6 A 1.000 8.500 20 24.2 6.7 4.213E-04 3322545889.04687 351.60 32.6 32.6 3.650 12.150 10.474 57.2 324.3 32.8 320 1334 C 1 H 6 A 1.025 8.525 20 36.4 16.6 1.675E-04 3322545893.98437 351.60 44.8 44.8 3.650 12.175 10.496 45.7 314.1 44.3 320 1334 C 1 H 6 A 1.050 8.550 20 8.3 7.7 3.183E-04 3322545898.90625 351.60 16.7 16.7 3.650 12.200 10.517 72.9 331.0 17.1 320 1334 C 1 H 6 A 1.075 8.575 20 6.4 2.4 7.803E-04 3322545903.84375 351.60 14.8 14.8 3.650 12.225 10.539 73.8 342.0 16.2 320 1334 C 1 H 6 A 1.100 8.600 20 5.9 1.4 9.355E-04 3322545908.78125 351.60 14.3 14.3 3.650 12.250 10.560 74.0 344.5 16.0 320 1334 C 1 H 6 A 1.125 8.625 20 0.1 1.3 7.774E-04 3322545913.70312 351.60 8.5 8.5 3.650 12.275 10.582 78.8 358.6 11.2 320 1334 C 1 H 6 A 1.150 8.650 20 355.4 3.2 7.363E-04 3322545918.64062 351.60 3.8 3.8 3.650 12.300 10.603 82.6 17.2 7.4 320 1334 C 1 H 6 A 1.175 8.675 20 0.2 2.5 2.073E-03 3322545923.56250 351.60 8.6 8.6 3.650 12.325 10.625 79.1 355.8 10.9 320 1334 C 1 H 6 A 1.200 8.700 20 4.6 4.1 1.953E-03 3322545928.50000 351.60 13.0 13.0 3.650 12.350 10.647 75.8 342.0 14.2 320 1334 C 1 H 6 A 1.225 8.725 20 4.9 5.1 2.273E-03 3322545933.42187 351.60 13.3 13.3 3.650 12.375 10.668 75.7 339.7 14.3 320 1334 C 1 H 6 A 1.250 8.750 20 3.5 7.1 1.841E-03 3322545938.35937 351.60 11.9 11.9 3.650 12.400 10.690 77.4 337.9 12.6 320 1334 C 1 H 6 A 1.275 8.775 20 12.6 42.3 3.057E-04 3322545943.28125 351.60 21.0 21.0 3.650 12.425 10.711 64.0 276.2 26.0 320 1334 C 1 H 6 A 1.300 8.800 20 11.9 22.9 5.295E-04 3322545948.21875 351.60 20.3 20.3 3.650 12.450 10.733 69.6 305.3 20.4 320 1334 C 1 H 6 A 1.325 8.825 20 12.4 27.8 5.334E-04 3322545953.15625 351.60 20.8 20.8 3.650 12.475 10.754 68.5 297.8 21.5 320 1334 C 1 H 6 A 1.350 8.850 20 2.4 18.4 7.992E-04 3322545958.07812 351.60 10.8 10.8 3.650 12.500 10.776 79.2 309.5 10.8 320 1334 C 1 H 6 A 1.375 8.875 20 359.1 11.7 1.119E-03 3322545963.01562 351.60 7.5 7.5 3.650 12.525 10.797 82.3 333.2 7.7 320 1334 C 1 H 6 A 1.400 8.900 20 3.4 9.5 1.331E-03 3322545967.95312 351.60 11.8 11.8 3.650 12.550 10.819 77.8 332.7 12.2 320 1334 C 1 H 6 A 1.425 8.925 20 4.7 6.2 1.958E-03 3322545972.87500 351.60 13.1 13.1 3.650 12.575 10.841 76.1 337.9 13.9 320 1334 C 1 H 7 A 0.100 9.100 20 5.0 2.7 2.671E-03 3322546998.28125 351.60 13.4 13.4 3.650 12.750 10.991 75.1 343.8 14.9 320 1334 C 1 H 7 A 0.150 9.150 20 2.2 2.5 2.512E-03 3322547003.59375 351.60 10.6 10.6 3.650 12.800 11.034 77.5 350.1 12.5 320 1334 C 1 H 7 A 0.200 9.200 20 0.8 0.6 2.615E-03 3322547008.92187 351.60 9.2 9.2 3.650 12.850 11.078 78.0 357.6 12.0 320 1334 C 1 H 7 A 0.250 9.250 20 359.2 -0.7 2.426E-03 3322547014.25000 351.60 7.6 7.6 3.650 12.900 11.121 78.7 5.5 11.3 320 1334 C 1 H 7 A 0.300 9.300 20 357.7 -1.1 2.183E-03 3322547019.57812 351.60 6.1 6.1 3.650 12.950 11.164 79.5 12.3 10.5 320 1334 C 1 H 7 A 0.350 9.350 20 357.2 -1.7 2.203E-03 3322547024.90625 351.60 5.6 5.6 3.650 13.000 11.207 79.5 15.5 10.5 320 1334 C 1 H 7 A 0.400 9.400 20 359.2 -1.9 2.501E-03 3322547030.21875 351.60 7.6 7.6 3.650 13.050 11.250 78.3 7.4 11.7 320 1334 C 1 H 7 A 0.450 9.450 20 358.3 -1.9 2.464E-03 3322547035.54687 351.60 6.7 6.7 3.650 13.100 11.293 78.8 11.0 11.2 320 1334 C 1 H 7 A 0.500 9.500 20 358.6 -2.2 2.413E-03 3322547040.87500 351.60 7.0 7.0 3.650 13.150 11.336 78.5 10.2 11.5 320 1334 C 1 H 7 A 0.550 9.550 20 8.5 -3.9 2.465E-03 3322547046.18750 351.60 16.9 16.9 3.650 13.200 11.379 70.4 347.9 19.6 320 1334 C 1 H 7 A 0.600 9.600 20 0.2 -3.1 2.796E-03 3322547051.51562 351.60 8.6 8.6 3.650 13.250 11.422 77.2 5.7 12.8 320 1334 C 2 H 2 A 0.100 10.560 20 130.3 -48.6 4.348E-04 3322548471.01562 302.00 188.3 188.3 4.330 14.890 12.836 -67.1 66.8 157.1 320 1334 C 2 H 2 A 0.150 10.610 20 7.3 -66.8 3.645E-04 3322548476.34375 302.00 65.3 65.3 4.330 14.940 12.879 9.4 11.2 80.6 320 1334 C 2 H 2 A 0.200 10.660 20 326.2 -46.1 4.718E-04 3322548481.67187 302.00 24.2 24.2 4.330 14.990 12.922 47.5 15.5 42.5 320 1334 C 2 H 2 A 0.250 10.710 20 124.5 -64.2 3.570E-04 3322548487.00000 302.00 182.5 182.5 4.330 15.040 12.966 -52.0 50.9 142.0 320 1334 C 2 H 2 A 0.300 10.760 20 136.7 -20.6 1.043E-03 3322548492.31250 302.00 194.7 194.7 4.330 15.090 13.009 -75.3 126.6 165.3 320 1334 C 2 H 2 A 0.350 10.810 20 125.1 -17.1 1.654E-03 3322548497.64062 302.00 183.1 183.1 4.330 15.140 13.052 -86.8 124.2 176.8 320 1334 C 2 H 2 A 0.400 10.860 20 136.7 -15.1 1.763E-03 3322548502.96875 302.00 194.7 194.7 4.330 15.190 13.095 -75.4 138.3 165.4 320 1334 C 2 H 2 A 0.450 10.910 20 138.5 -15.8 1.577E-03 3322548508.29687 302.00 196.5 196.5 4.330 15.240 13.138 -73.7 136.7 163.7 320 1334 C 2 H 2 A 0.500 10.960 20 128.0 -11.8 1.814E-03 3322548513.62500 302.00 186.0 186.0 4.330 15.290 13.181 -83.7 156.5 173.7 320 1334 C 2 H 2 A 0.550 11.010 20 127.0 -3.2 2.475E-03 3322548518.93750 302.00 185.0 185.0 4.330 15.340 13.224 -81.9 189.9 171.9 320 1334 C 2 H 2 A 0.600 11.060 20 153.9 -8.3 1.481E-03 3322548524.26562 302.00 211.9 211.9 4.330 15.390 13.267 -58.1 143.0 148.1 320 1334 C 2 H 2 A 0.650 11.110 20 70.0 -43.2 6.351E-04 3322548529.59375 302.00 128.0 128.0 4.330 15.440 13.310 -37.7 343.7 127.7 320 1334 C 2 H 2 A 0.700 11.160 20 326.1 -44.0 6.705E-04 3322548534.90625 302.00 24.1 24.1 4.330 15.490 13.353 48.9 14.0 41.1 320 1334 C 2 H 2 A 0.750 11.210 20 302.9 -20.5 1.229E-03 3322548540.23437 302.00 0.9 0.9 4.330 15.540 13.397 71.4 45.3 18.6 320 1334 C 2 H 2 A 0.800 11.260 20 314.7 -21.1 9.732E-04 3322548545.54687 302.00 12.7 12.7 4.330 15.590 13.440 67.3 14.1 22.8 320 1334 C 2 H 2 A 0.850 11.310 20 81.5 -19.7 8.246E-04 3322548550.87500 302.00 139.5 139.5 4.330 15.640 13.483 -50.0 324.3 140.0 320 1334 C 2 H 2 A 0.900 11.360 20 138.5 -27.8 5.801E-04 3322548556.20312 302.00 196.5 196.5 4.330 15.690 13.526 -72.5 113.8 162.5 320 1334 C 2 H 2 A 0.950 11.410 20 112.2 -59.8 3.504E-04 3322548561.53125 302.00 170.2 170.2 4.330 15.740 13.569 -56.2 34.6 146.2 320 1334 C 2 H 2 A 1.000 11.460 20 116.2 -56.9 4.066E-04 3322548566.85937 302.00 174.2 174.2 4.330 15.790 13.612 -60.1 38.8 150.1 320 1334 C 2 H 2 A 1.050 11.510 20 111.3 -50.4 5.454E-04 3322548572.18750 302.00 169.3 169.3 4.330 15.840 13.655 -64.8 26.1 154.8 320 1334 C 2 H 2 A 1.100 11.560 20 104.5 -39.7 1.027E-03 3322548577.50000 302.00 162.5 162.5 4.330 15.890 13.698 -67.8 0.8 157.8 320 1334 C 2 H 2 A 1.150 11.610 20 106.8 -35.7 1.091E-03 3322548582.82812 302.00 164.8 164.8 4.330 15.940 13.741 -71.2 358.2 161.2 320 1334 C 2 H 2 A 1.200 11.660 20 113.0 -31.6 1.158E-03 3322548588.15625 302.00 171.0 171.0 4.330 15.990 13.784 -77.4 4.9 167.4 320 1334 C 2 H 2 A 1.250 11.710 20 114.9 -24.5 1.422E-03 3322548593.48437 302.00 172.9 172.9 4.330 16.040 13.828 -81.5 353.3 171.5 320 1334 C 2 H 2 A 1.300 11.760 20 124.3 -20.5 1.461E-03 3322548598.81250 302.00 182.3 182.3 4.330 16.090 13.871 -86.6 89.1 176.6 320 1334 C 2 H 2 A 1.350 11.810 20 126.3 -16.3 1.572E-03 3322548604.12500 302.00 184.3 184.3 4.330 16.140 13.914 -85.7 133.5 175.7 320 1334 C 2 H 2 A 1.400 11.860 20 128.7 -15.2 1.647E-03 3322548609.45312 302.00 186.7 186.7 4.330 16.190 13.957 -83.4 139.8 173.4 320 1334 C 2 H 3 A 0.100 12.060 20 129.2 -10.5 2.143E-03 3322550338.82812 302.00 187.2 187.2 4.330 16.390 14.129 -82.4 158.3 172.4 320 1334 C 2 H 3 A 0.150 12.110 20 128.5 -10.9 1.973E-03 3322550344.15625 302.00 186.5 186.5 4.330 16.440 14.172 -83.1 158.8 173.1 320 1334 C 2 H 3 A 0.200 12.160 20 126.6 -9.0 2.016E-03 3322550349.46875 302.00 184.6 184.6 4.330 16.490 14.216 -84.3 175.0 174.3 320 1334 C 2 H 3 A 0.250 12.210 20 126.3 -7.5 2.327E-03 3322550354.79687 302.00 184.3 184.3 4.330 16.540 14.259 -84.0 182.5 174.0 320 1334 C 2 H 3 A 0.300 12.260 20 129.7 -9.4 1.905E-03 3322550360.12500 302.00 187.7 187.7 4.330 16.590 14.302 -81.7 160.7 171.7 320 1334 C 2 H 3 A 0.350 12.310 20 127.0 -12.3 1.490E-03 3322550365.43750 302.00 185.0 185.0 4.330 16.640 14.345 -84.7 157.4 174.7 320 1334 C 2 H 3 A 0.400 12.360 20 136.8 -19.3 8.734E-04 3322550370.76562 302.00 194.8 194.8 4.330 16.690 14.388 -75.3 129.4 165.3 320 1334 C 2 H 3 A 0.450 12.410 20 131.4 -27.6 4.767E-04 3322550376.09375 302.00 189.4 189.4 4.330 16.740 14.431 -78.6 101.4 168.6 320 1334 C 2 H 3 A 0.500 12.460 20 307.3 -19.0 6.726E-04 3322550381.40625 302.00 5.3 5.3 4.330 16.790 14.474 71.5 31.4 18.5 320 1334 C 2 H 3 A 0.550 12.510 20 298.2 -9.9 1.238E-03 3322550386.73437 302.00 356.2 -3.8 4.330 16.840 14.517 76.5 64.4 13.5 320 1334 C 2 H 3 A 0.600 12.560 20 305.4 -21.0 8.027E-04 3322550392.06250 302.00 3.4 3.4 4.330 16.890 14.560 70.8 37.8 19.2 320 1334 C 2 H 3 A 0.650 12.610 20 326.2 -9.5 1.611E-03 3322550397.39062 302.00 24.2 24.2 4.330 16.940 14.603 62.7 345.1 27.3 320 1334 C 2 H 3 A 0.700 12.660 20 308.9 -6.7 1.736E-03 3322550402.71875 302.00 6.9 6.9 4.330 16.990 14.647 76.7 16.6 13.3 320 1334 C 2 H 3 A 0.750 12.710 20 307.2 -7.1 1.481E-03 3322550408.03125 302.00 5.2 5.2 4.330 17.040 14.690 77.3 23.7 12.7 320 1334 C 2 H 3 A 0.800 12.760 20 309.4 -19.1 7.841E-04 3322550413.35937 302.00 7.4 7.4 4.330 17.090 14.733 70.7 25.4 19.3 320 1334 C 2 H 3 A 0.850 12.810 20 142.5 -35.8 6.239E-04 3322550418.68750 302.00 200.5 200.5 4.330 17.140 14.776 -66.9 105.1 156.9 320 1334 C 2 H 3 A 0.900 12.860 20 119.2 -31.5 8.350E-04 3322550424.01562 302.00 177.2 177.2 4.330 17.190 14.819 -80.6 31.5 170.6 320 1334 C 2 H 3 A 0.950 12.910 20 121.0 -26.7 1.098E-03 3322550429.34375 302.00 179.0 179.0 4.330 17.240 14.862 -83.8 39.0 173.8 320 1334 C 2 H 3 A 1.000 12.960 20 118.5 -29.8 9.773E-04 3322550434.65625 302.00 176.5 176.5 4.330 17.290 14.905 -81.3 25.2 171.3 320 1334 C 2 H 3 A 1.050 13.010 20 119.1 -39.9 7.049E-04 3322550439.98437 302.00 177.1 177.1 4.330 17.340 14.948 -75.1 37.6 165.1 320 1334 C 2 H 3 A 1.100 13.060 20 95.6 -75.3 4.158E-04 3322550445.31250 302.00 153.6 153.6 4.330 17.390 14.991 -32.4 33.9 122.4 320 1334 C 2 H 3 A 1.150 13.110 20 306.4 -38.0 4.936E-04 3322550450.64062 302.00 4.4 4.4 4.330 17.440 15.034 60.4 39.7 29.7 320 1334 C 2 H 3 A 1.200 13.160 20 300.8 -19.3 5.461E-04 3322550455.96875 302.00 358.8 -1.2 4.330 17.490 15.078 72.0 51.9 18.0 320 1334 C 2 H 3 A 1.250 13.210 20 307.4 -28.3 3.882E-04 3322550461.28125 302.00 5.4 5.4 4.330 17.540 15.121 66.3 35.0 23.7 320 1334 C 2 H 3 A 1.300 13.260 20 313.7 -39.7 3.098E-04 3322550466.60937 302.00 11.7 11.7 4.330 17.590 15.164 57.4 27.7 32.6 320 1334 C 2 H 3 A 1.350 13.310 20 287.3 -26.0 3.512E-04 3322550471.93750 302.00 345.3 -14.7 4.330 17.640 15.207 63.9 82.0 26.2 320 1334 C 2 H 3 A 1.400 13.360 20 299.2 -13.1 4.815E-04 3322550477.26562 302.00 357.2 -2.8 4.330 17.690 15.250 75.1 58.9 14.9 320 1334 C 2 H 4 A 0.100 13.560 20 306.5 -0.4 6.732E-04 3322551155.98437 302.00 4.5 4.5 4.330 17.890 15.422 80.7 19.1 9.4 320 1334 C 2 H 4 A 0.150 13.610 20 304.4 -0.9 6.631E-04 3322551161.29687 302.00 2.4 2.4 4.330 17.940 15.466 81.2 32.1 8.8 320 1334 C 2 H 4 A 0.200 13.660 20 301.2 -2.6 7.694E-04 3322551166.62500 302.00 359.2 -0.8 4.330 17.990 15.509 80.7 53.0 9.3 320 1334 C 2 H 4 A 0.250 13.710 20 301.8 -5.3 6.241E-04 3322551171.95312 302.00 359.8 -0.2 4.330 18.040 15.552 79.3 49.1 10.7 320 1334 C 2 H 4 A 0.300 13.760 20 305.6 -11.4 3.755E-04 3322551177.28125 302.00 3.6 3.6 4.330 18.090 15.595 75.8 33.3 14.2 320 1334 C 2 H 4 A 0.350 13.810 20 309.8 -16.0 3.236E-04 3322551182.60937 302.00 7.8 7.8 4.330 18.140 15.638 72.1 22.2 17.9 320 1334 C 2 H 4 A 0.400 13.860 20 307.9 -11.4 3.237E-04 3322551187.93750 302.00 5.9 5.9 4.330 18.190 15.681 75.0 24.7 15.0 320 1334 C 2 H 4 A 0.450 13.910 20 309.5 -8.4 3.957E-04 3322551193.25000 302.00 7.5 7.5 4.330 18.240 15.724 75.7 16.3 14.3 320 1334 C 2 H 4 A 0.500 13.960 20 307.7 -11.0 4.232E-04 3322551198.57812 302.00 5.7 5.7 4.330 18.290 15.767 75.3 25.1 14.7 320 1334 C 2 H 4 A 0.550 14.010 20 307.9 -22.2 3.027E-04 3322551203.90625 302.00 5.9 5.9 4.330 18.340 15.810 69.6 31.2 20.4 320 1334 C 2 H 4 A 0.600 14.060 20 42.1 -79.9 1.444E-04 3322551209.23437 302.00 100.1 100.1 4.330 18.390 15.853 -10.9 28.4 100.9 320 1334 C 2 H 4 A 0.650 14.110 20 118.0 -17.1 5.454E-04 3322551214.54687 302.00 176.0 176.0 4.330 18.440 15.897 -86.0 329.0 176.0 320 1334 C 2 H 4 A 0.700 14.160 20 117.1 -12.8 8.721E-04 3322551219.87500 302.00 175.1 175.1 4.330 18.490 15.940 -84.9 301.0 174.9 320 1334 C 2 H 4 A 0.750 14.210 20 118.5 -15.4 8.110E-04 3322551225.20312 302.00 176.5 176.5 4.330 18.540 15.983 -86.5 315.7 176.5 320 1334 C 2 H 4 A 0.800 14.260 20 122.3 -23.8 5.316E-04 3322551230.53125 302.00 180.3 180.3 4.330 18.590 16.026 -85.6 51.8 175.6 320 1334 C 2 H 4 A 0.850 14.310 20 124.6 -23.2 5.891E-04 3322551235.85937 302.00 182.6 182.6 4.330 18.640 16.069 -85.2 79.8 175.2 320 1334 C 2 H 4 A 0.900 14.360 20 120.3 -19.8 1.124E-03 3322551241.17187 302.00 178.3 178.3 4.330 18.690 16.112 -87.2 10.9 177.2 320 1334 C 2 H 4 A 0.950 14.410 20 115.4 -11.1 1.642E-03 3322551246.50000 302.00 173.4 173.4 4.330 18.740 16.155 -83.0 298.4 173.0 320 1334 C 2 H 4 A 1.000 14.460 20 114.8 -11.6 1.824E-03 3322551251.82812 302.00 172.8 172.8 4.330 18.790 16.198 -82.5 301.8 172.5 320 1334 C 2 H 4 A 1.050 14.510 20 114.2 -13.0 1.551E-03 3322551257.15625 302.00 172.2 172.2 4.330 18.840 16.241 -82.1 308.2 172.1 320 1334 C 2 H 4 A 1.100 14.560 20 113.0 -15.7 1.120E-03 3322551262.46875 302.00 171.0 171.0 4.330 18.890 16.284 -81.1 318.7 171.1 320 1334 C 2 H 4 A 1.150 14.610 20 112.4 -17.5 9.463E-04 3322551267.79687 302.00 170.4 170.4 4.330 18.940 16.328 -80.5 324.5 170.5 320 1334 C 2 H 4 A 1.200 14.660 20 111.6 -16.0 7.424E-04 3322551273.12500 302.00 169.6 169.6 4.330 18.990 16.371 -79.7 319.6 169.7 320 1334 C 2 H 4 A 1.250 14.710 20 114.0 -16.3 4.516E-04 3322551278.45312 302.00 172.0 172.0 4.330 19.040 16.414 -82.1 320.9 172.1 320 1334 C 2 H 4 A 1.300 14.760 20 113.5 -17.6 4.314E-04 3322551283.76562 302.00 171.5 171.5 4.330 19.090 16.457 -81.5 325.5 171.5 320 1334 C 2 H 4 A 1.350 14.810 20 112.5 -19.0 5.465E-04 3322551289.09375 302.00 170.5 170.5 4.330 19.140 16.500 -80.5 329.4 170.5 320 1334 C 2 H 4 A 1.400 14.860 20 111.9 -19.3 6.254E-04 3322551294.42187 302.00 169.9 169.9 4.330 19.190 16.543 -79.8 329.8 169.8 320 1334 C 2 H 5 A 0.100 15.060 20 117.4 -14.3 1.570E-03 3322552172.14062 302.00 175.4 175.4 4.330 19.390 16.716 -85.4 309.2 175.4 320 1334 C 2 H 5 A 0.150 15.110 20 127.8 -13.4 1.943E-03 3322552177.46875 302.00 185.8 185.8 4.330 19.440 16.759 -84.1 149.5 174.1 320 1334 C 2 H 5 A 0.200 15.160 20 116.1 -16.2 1.802E-03 3322552182.78125 302.00 174.1 174.1 4.330 19.490 16.802 -84.2 321.0 174.2 320 1334 C 2 H 5 A 0.250 15.210 20 117.2 -14.6 1.752E-03 3322552188.10937 302.00 175.2 175.2 4.330 19.540 16.845 -85.2 311.4 175.2 320 1334 C 2 H 5 A 0.300 15.260 20 115.4 -16.3 1.489E-03 3322552193.42187 302.00 173.4 173.4 4.330 19.590 16.888 -83.5 321.3 173.5 320 1334 C 2 H 5 A 0.350 15.310 20 112.7 -16.7 1.387E-03 3322552198.75000 302.00 170.7 170.7 4.330 19.640 16.931 -80.8 322.0 170.8 320 1334 C 2 H 5 A 0.400 15.360 20 115.2 -16.5 1.577E-03 3322552204.07812 302.00 173.2 173.2 4.330 19.690 16.974 -83.3 322.1 173.3 320 1334 C 2 H 5 A 0.450 15.410 20 115.2 -19.6 1.587E-03 3322552209.40625 302.00 173.2 173.2 4.330 19.740 17.017 -83.0 335.9 173.0 320 1334 C 2 H 5 A 0.500 15.460 20 117.4 -19.8 1.582E-03 3322552214.73437 302.00 175.4 175.4 4.330 19.790 17.060 -85.0 344.3 175.0 320 1334 C 2 H 5 A 0.550 15.510 20 119.8 -18.7 1.454E-03 3322552220.06250 302.00 177.8 177.8 4.330 19.840 17.103 -87.3 354.6 177.3 320 1334 C 2 H 5 A 0.600 15.560 20 118.5 -17.0 1.445E-03 3322552225.37500 302.00 176.5 176.5 4.330 19.890 17.147 -86.5 329.6 176.5 320 1334 C 2 H 5 A 0.650 15.610 20 116.3 -18.5 1.535E-03 3322552230.70312 302.00 174.3 174.3 4.330 19.940 17.190 -84.2 333.3 174.2 320 1334 C 2 H 5 A 0.700 15.660 20 119.3 -19.0 1.494E-03 3322552236.03125 302.00 177.3 177.3 4.330 19.990 17.233 -86.8 351.8 176.8 320 1334 C 2 H 5 A 0.750 15.710 20 121.2 -16.4 1.336E-03 3322552241.35937 302.00 179.2 179.2 4.330 20.040 17.276 -89.1 343.2 179.1 320 1334 C 2 H 5 A 0.800 15.760 20 123.8 -12.7 1.393E-03 3322552246.67187 302.00 181.8 181.8 4.330 20.090 17.319 -87.6 179.3 177.6 320 1334 C 2 H 5 A 0.850 15.810 20 123.0 -11.2 1.343E-03 3322552252.00000 302.00 181.0 181.0 4.330 20.140 17.362 -87.5 205.0 177.5 320 1334 C 2 H 5 A 0.900 15.860 20 325.0 -21.3 5.270E-04 3322552257.32812 302.00 23.0 23.0 4.330 20.190 17.405 60.2 357.4 29.8 320 1334 C 2 H 5 A 0.950 15.910 20 295.2 -4.3 1.296E-03 3322552262.65625 302.00 353.2 -6.8 4.330 20.240 17.448 77.8 82.0 12.2 320 1334 C 2 H 5 A 1.000 15.960 20 300.0 -1.7 1.444E-03 3322552267.98437 302.00 358.0 -2.0 4.330 20.290 17.491 80.9 60.8 9.1 320 1334 C 2 H 5 A 1.050 16.010 20 301.6 -5.8 9.040E-04 3322552273.31250 302.00 359.6 -0.4 4.330 20.340 17.534 79.1 50.1 10.9 320 1334 C 2 H 5 A 1.100 16.060 20 80.6 -11.9 6.539E-04 3322552278.62500 302.00 138.6 138.6 4.330 20.390 17.578 -48.9 318.0 138.9 320 1334 C 2 H 5 A 1.150 16.110 20 116.4 -19.1 5.255E-04 3322552283.95312 302.00 174.4 174.4 4.330 20.440 17.621 -84.2 336.7 174.2 320 1334 C 2 H 5 A 1.200 16.160 20 113.9 -7.6 1.322E-03 3322552289.28125 302.00 171.9 171.9 4.330 20.490 17.664 -80.9 291.1 170.9 320 1334 C 2 H 5 A 1.250 16.210 20 128.8 -7.3 1.841E-03 3322552294.60937 302.00 186.8 186.8 4.330 20.540 17.707 -82.0 170.3 172.0 320 1334 C 2 H 5 A 1.300 16.260 20 119.0 -8.9 2.387E-03 3322552299.92187 302.00 177.0 177.0 4.330 20.590 17.750 -85.4 268.5 175.4 320 1334 C 2 H 5 A 1.350 16.310 20 120.0 -13.3 2.138E-03 3322552305.25000 302.00 178.0 178.0 4.330 20.640 17.793 -87.7 285.8 177.7 320 1334 C 2 H 5 A 1.400 16.360 20 310.9 -36.9 6.332E-04 3322552310.57812 302.00 8.9 8.9 4.330 20.690 17.836 60.1 31.1 29.9 320 1334 C 2 H 6 A 0.100 16.560 20 309.3 -20.0 4.901E-04 3322553001.14062 302.00 7.3 7.3 4.330 20.890 18.009 70.3 26.3 19.7 320 1334 C 2 H 6 A 0.150 16.610 20 111.3 -42.8 5.969E-04 3322553006.46875 302.00 169.3 169.3 4.330 20.940 18.052 -70.3 18.0 160.3 320 1334 C 2 H 6 A 0.200 16.660 20 115.9 -14.2 1.674E-03 3322553011.79687 302.00 173.9 173.9 4.330 20.990 18.095 -83.9 311.0 173.9 320 1334 C 2 H 6 A 0.250 16.710 20 116.2 -11.6 2.160E-03 3322553017.12500 302.00 174.2 174.2 4.330 21.040 18.138 -83.9 298.0 173.9 320 1334 C 2 H 6 A 0.300 16.760 20 122.3 -11.5 1.798E-03 3322553022.45312 302.00 180.3 180.3 4.330 21.090 18.181 -87.8 220.3 177.8 320 1334 C 2 H 6 A 0.350 16.810 20 122.8 -9.9 1.724E-03 3322553027.76562 302.00 180.8 180.8 4.330 21.140 18.224 -86.9 213.2 176.9 320 1334 C 2 H 6 A 0.400 16.860 20 123.9 -11.5 1.703E-03 3322553033.09375 302.00 181.9 181.9 4.330 21.190 18.267 -87.1 187.2 177.1 320 1334 C 2 H 6 A 0.450 16.910 20 125.3 -16.2 1.499E-03 3322553038.42187 302.00 183.3 183.3 4.330 21.240 18.310 -86.7 133.2 176.7 320 1334 C 2 H 6 A 0.500 16.960 20 126.6 -19.7 1.447E-03 3322553043.75000 302.00 184.6 184.6 4.330 21.290 18.353 -85.0 112.4 175.0 320 1334 C 2 H 6 A 0.550 17.010 20 125.9 -22.7 1.677E-03 3322553049.07812 302.00 183.9 183.9 4.330 21.340 18.397 -84.6 92.9 174.6 320 1334 C 2 H 6 A 0.600 17.060 20 123.2 -16.8 1.947E-03 3322553054.40625 302.00 181.2 181.2 4.330 21.390 18.440 -88.7 111.7 178.7 320 1334 C 2 H 6 A 0.650 17.110 20 122.1 -15.0 2.339E-03 3322553059.73437 302.00 180.1 180.1 4.330 21.440 18.483 -89.6 213.0 179.6 320 1334 C 2 H 6 A 0.700 17.160 20 120.9 -15.2 2.143E-03 3322553065.04687 302.00 178.9 178.9 4.330 21.490 18.526 -88.9 304.5 178.9 320 1334 C 2 H 6 A 0.750 17.210 20 149.1 -28.0 8.027E-04 3322553070.37500 302.00 207.1 207.1 4.330 21.540 18.569 -62.6 121.0 152.6 320 1334 C 2 H 6 A 0.800 17.260 20 316.0 -18.4 6.203E-04 3322553075.70312 302.00 14.0 14.0 4.330 21.590 18.612 67.7 9.1 22.3 320 1334 C 2 H 6 A 0.850 17.310 20 299.6 -24.4 6.161E-04 3322553081.03125 302.00 357.6 -2.4 4.330 21.640 18.655 69.1 54.6 20.9 320 1334 C 2 H 6 A 0.900 17.360 20 297.0 -27.4 6.321E-04 3322553086.35937 302.00 355.0 -5.0 4.330 21.690 18.698 66.9 60.5 23.1 320 1334 C 2 H 6 A 0.950 17.410 20 294.7 -8.3 1.326E-03 3322553091.67187 302.00 352.7 -7.3 4.330 21.740 18.741 75.8 79.2 14.2 320 1334 C 2 H 6 A 1.000 17.460 20 297.9 -3.1 2.368E-03 3322553097.00000 302.00 355.9 -4.1 4.330 21.790 18.784 79.6 71.4 10.4 320 1334 C 2 H 6 A 1.050 17.510 20 299.3 -4.6 1.588E-03 3322553102.32812 302.00 357.3 -2.7 4.330 21.840 18.828 79.4 62.8 10.7 320 1334 C 2 H 6 A 1.100 17.560 20 314.5 -19.5 5.213E-04 3322553107.65625 302.00 12.5 12.5 4.330 21.890 18.871 68.1 13.2 21.9 320 1334 C 2 H 6 A 1.150 17.610 20 307.6 -16.1 5.724E-04 3322553112.98437 302.00 5.6 5.6 4.330 21.940 18.914 72.9 28.9 17.2 320 1334 C 2 H 6 A 1.200 17.660 20 305.4 -6.4 1.045E-03 3322553118.29687 302.00 3.4 3.4 4.330 21.990 18.957 78.3 31.1 11.7 320 1334 C 2 H 6 A 1.250 17.710 20 303.3 -2.2 1.703E-03 3322553123.62500 302.00 1.3 1.3 4.330 22.040 19.000 80.8 39.9 9.2 320 1334 C 2 H 6 A 1.300 17.760 20 301.5 -2.0 1.914E-03 3322553128.95312 302.00 359.5 -0.5 4.330 22.090 19.043 81.0 51.2 9.0 320 1334 C 2 H 6 A 1.350 17.810 20 303.3 6.2 2.030E-03 3322553134.28125 302.00 1.3 1.3 4.330 22.140 19.086 84.9 33.1 5.1 320 1334 C 2 H 6 A 1.400 17.860 20 306.0 0.8 1.814E-03 3322553139.60937 302.00 4.0 4.0 4.330 22.190 19.129 81.4 20.2 8.6 320 1334 C 2 H 7 A 0.100 18.060 20 343.5 -64.0 3.795E-04 3322553886.82812 302.00 41.5 41.5 4.330 22.390 19.302 24.7 17.4 65.3 320 1334 C 2 H 7 A 0.150 18.110 20 53.5 -77.6 3.745E-04 3322553892.15625 302.00 111.5 111.5 4.330 22.440 19.345 -15.9 25.1 105.9 320 1334 C 2 H 7 A 0.200 18.160 20 101.6 -44.5 5.531E-04 3322553897.46875 302.00 159.6 159.6 4.330 22.490 19.388 -63.4 3.6 153.4 320 1334 C 2 H 7 A 0.250 18.210 20 109.9 -29.1 8.585E-04 3322553902.79687 302.00 167.9 167.9 4.330 22.540 19.431 -76.0 351.7 166.0 320 1334 C 2 H 7 A 0.300 18.260 20 114.1 -29.3 7.412E-04 3322553908.12500 302.00 172.1 172.1 4.330 22.590 19.474 -79.1 3.6 169.1 320 1334 C 2 H 7 A 0.350 18.310 20 114.6 -24.3 7.479E-04 3322553913.45312 302.00 172.6 172.6 4.330 22.640 19.517 -81.3 351.6 171.3 320 1334 C 2 H 7 A 0.400 18.360 20 111.8 -12.7 1.279E-03 3322553918.76562 302.00 169.8 169.8 4.330 22.690 19.560 -79.8 309.9 169.8 320 1334 C 2 H 7 A 0.450 18.410 20 120.5 -14.9 1.383E-03 3322553924.09375 302.00 178.5 178.5 4.330 22.740 19.603 -88.5 302.3 178.5 320 1334 C 2 H 7 A 0.500 18.460 20 121.0 -15.4 1.500E-03 3322553929.42187 302.00 179.0 179.0 4.330 22.790 19.647 -89.0 309.0 179.0 320 1334 C 3 H 2 A 0.100 19.900 20 108.0 -0.4 2.822E-03 3322554653.95312 107.30 0.7 0.7 6.650 26.550 22.888 81.8 43.1 8.2 320 1334 C 3 H 2 A 0.150 19.950 20 113.3 -1.7 1.734E-03 3322554659.28125 107.30 6.0 6.0 6.650 26.600 22.931 79.3 13.7 10.7 320 1334 C 3 H 2 A 0.200 20.000 20 107.7 -8.5 1.459E-03 3322554664.59375 107.30 0.4 0.4 6.650 26.650 22.974 77.7 46.2 12.3 320 1334 C 3 H 2 A 0.250 20.050 20 347.5 -26.3 8.096E-04 3322554669.92187 107.30 240.2 240.2 6.650 26.700 23.017 -30.7 126.6 120.7 320 1334 C 3 H 2 A 0.300 20.100 20 288.3 -21.5 1.002E-03 3322554675.25000 107.30 181.0 181.0 6.650 26.750 23.060 -86.7 65.4 176.7 320 1334 C 3 H 2 A 0.350 20.150 20 291.8 -21.5 1.179E-03 3322554680.57812 107.30 184.5 184.5 6.650 26.800 23.103 -84.6 102.4 174.6 320 1334 C 3 H 2 A 0.400 20.200 20 293.4 -18.8 1.448E-03 3322554685.89062 107.30 186.1 186.1 6.650 26.850 23.147 -83.8 122.2 173.8 320 1334 C 3 H 2 A 0.450 20.250 20 297.6 -24.1 1.005E-03 3322554691.21875 107.30 190.3 190.3 6.650 26.900 23.190 -78.9 112.7 168.9 320 1334 C 3 H 2 A 0.500 20.300 20 86.3 -25.2 6.989E-04 3322554696.54687 107.30 339.0 -21.0 6.650 26.950 23.233 60.2 92.7 29.8 320 1334 C 3 H 2 A 0.550 20.350 20 101.9 -6.4 1.546E-03 3322554701.87500 107.30 354.6 -5.4 6.650 27.000 23.276 77.6 73.9 12.4 320 1334 C 3 H 2 A 0.600 20.400 20 103.2 -5.3 1.452E-03 3322554707.20312 107.30 355.9 -4.1 6.650 27.050 23.319 78.6 69.2 11.4 320 1334 C 3 H 2 A 0.650 20.450 20 101.3 -6.0 1.163E-03 3322554712.53125 107.30 354.0 -6.0 6.650 27.100 23.362 77.5 76.8 12.5 320 1334 C 3 H 2 A 0.700 20.500 20 104.0 -2.6 1.697E-03 3322554717.84375 107.30 356.7 -3.3 6.650 27.150 23.405 80.1 67.7 9.9 320 1334 C 3 H 2 A 0.750 20.550 20 104.0 -0.6 2.521E-03 3322554723.17187 107.30 356.7 -3.3 6.650 27.200 23.448 81.1 69.8 8.9 320 1334 C 3 H 2 A 0.800 20.600 20 103.9 3.5 2.372E-03 3322554728.50000 107.30 356.6 -3.4 6.650 27.250 23.491 82.9 76.7 7.1 320 1334 C 3 H 2 A 0.850 20.650 20 102.7 0.1 2.266E-03 3322554733.82812 107.30 355.4 -4.6 6.650 27.300 23.534 80.8 78.2 9.2 320 1334 C 3 H 2 A 0.900 20.700 20 101.3 -0.1 2.204E-03 3322554739.15625 107.30 354.0 -6.0 6.650 27.350 23.578 80.0 84.9 10.0 320 1334 C 3 H 2 A 0.950 20.750 20 102.9 -2.1 2.495E-03 3322554744.46875 107.30 355.6 -4.4 6.650 27.400 23.621 79.9 74.1 10.1 320 1334 C 3 H 2 A 1.000 20.800 20 104.0 -3.5 2.758E-03 3322554749.79687 107.30 356.7 -3.3 6.650 27.450 23.664 79.7 66.8 10.3 320 1334 C 3 H 2 A 1.050 20.850 20 105.0 -3.0 2.972E-03 3322554755.12500 107.30 357.7 -2.3 6.650 27.500 23.707 80.2 61.7 9.8 320 1334 C 3 H 2 A 1.100 20.900 20 104.4 -2.0 2.959E-03 3322554760.45312 107.30 357.1 -2.9 6.650 27.550 23.750 80.6 66.0 9.5 320 1334 C 3 H 2 A 1.150 20.950 20 103.6 -1.4 2.980E-03 3322554765.76562 107.30 356.3 -3.7 6.650 27.600 23.793 80.6 71.2 9.5 320 1334 C 3 H 2 A 1.200 21.000 20 103.3 0.6 3.091E-03 3322554771.09375 107.30 356.0 -4.0 6.650 27.650 23.836 81.3 75.6 8.7 320 1334 C 3 H 2 A 1.250 21.050 20 103.1 0.7 3.135E-03 3322554776.42187 107.30 355.8 -4.2 6.650 27.700 23.879 81.3 76.9 8.7 320 1334 C 3 H 2 A 1.300 21.100 20 109.2 0.1 3.126E-03 3322554781.75000 107.30 1.9 1.9 6.650 27.750 23.922 81.8 34.5 8.2 320 1334 C 3 H 2 A 1.350 21.150 20 106.7 -0.4 2.734E-03 3322554787.07812 107.30 359.4 -0.6 6.650 27.800 23.966 81.8 52.2 8.2 320 1334 C 3 H 2 A 1.400 21.200 20 104.8 -1.2 2.586E-03 3322554792.40625 107.30 357.5 -2.5 6.650 27.850 24.009 81.1 64.3 9.0 320 1334 C 3 H 3 A 0.100 21.400 20 106.4 1.2 1.289E-03 3322556376.60937 107.30 359.1 -0.9 6.650 28.050 24.181 82.6 55.0 7.5 320 1334 C 3 H 3 A 0.150 21.450 20 110.3 -3.8 1.020E-03 3322556381.93750 107.30 3.0 3.0 6.650 28.100 24.224 79.7 31.1 10.3 320 1334 C 3 H 3 A 0.200 21.500 20 109.4 -4.6 1.104E-03 3322556387.26562 107.30 2.1 2.1 6.650 28.150 24.267 79.5 36.5 10.5 320 1334 C 3 H 3 A 0.250 21.550 20 110.0 -6.3 1.414E-03 3322556392.59375 107.30 2.7 2.7 6.650 28.200 24.310 78.5 34.4 11.5 320 1334 C 3 H 3 A 0.300 21.600 20 105.9 -3.6 2.117E-03 3322556397.92187 107.30 358.6 -1.4 6.650 28.250 24.353 80.1 56.2 9.9 320 1334 C 3 H 3 A 0.350 21.650 20 107.1 -0.4 2.403E-03 3322556403.25000 107.30 359.8 -0.2 6.650 28.300 24.397 81.8 49.4 8.2 320 1334 C 3 H 3 A 0.400 21.700 20 103.9 1.0 2.958E-03 3322556408.57812 107.30 356.6 -3.4 6.650 28.350 24.440 81.8 72.5 8.2 320 1334 C 3 H 3 A 0.450 21.750 20 104.4 1.2 2.451E-03 3322556413.90625 107.30 357.1 -2.9 6.650 28.400 24.483 82.1 69.5 7.9 320 1334 C 3 H 3 A 0.500 21.800 20 104.7 1.7 2.171E-03 3322556419.21875 107.30 357.4 -2.6 6.650 28.450 24.526 82.4 68.1 7.6 320 1334 C 3 H 3 A 0.550 21.850 20 105.7 1.4 2.039E-03 3322556424.54687 107.30 358.4 -1.6 6.650 28.500 24.569 82.5 60.4 7.5 320 1334 C 3 H 3 A 0.600 21.900 20 109.5 0.5 1.557E-03 3322556429.87500 107.30 2.2 2.2 6.650 28.550 24.612 82.0 32.1 8.1 320 1334 C 3 H 3 A 0.650 21.950 20 99.5 1.9 1.686E-03 3322556435.20312 107.30 352.2 -7.8 6.650 28.600 24.655 79.5 96.2 10.5 320 1334 C 3 H 3 A 0.700 22.000 20 95.4 5.1 1.132E-03 3322556440.51562 107.30 348.1 -11.9 6.650 28.650 24.698 77.0 114.0 13.0 320 1334 C 3 H 3 A 0.750 22.050 20 94.2 -5.8 4.206E-04 3322556445.84375 107.30 346.9 -13.1 6.650 28.700 24.741 73.0 98.7 17.0 320 1334 C 3 H 3 A 0.800 22.100 20 285.0 -31.6 2.305E-04 3322556451.17187 107.30 177.7 177.7 6.650 28.750 24.784 -80.6 34.4 170.6 320 1334 C 3 H 3 A 0.850 22.150 20 285.8 -59.0 2.374E-04 3322556456.50000 107.30 178.5 178.5 6.650 28.800 24.828 -58.2 45.8 148.2 320 1334 C 3 H 3 A 0.900 22.200 20 278.1 -33.9 6.082E-04 3322556461.82812 107.30 170.8 170.8 6.650 28.850 24.871 -76.2 8.7 166.2 320 1334 C 3 H 3 A 0.950 22.250 20 282.4 -20.5 7.349E-04 3322556467.14062 107.30 175.1 175.1 6.650 28.900 24.914 -84.5 346.6 174.5 320 1334 C 3 H 3 A 1.000 22.300 20 284.7 -17.7 7.544E-04 3322556472.46875 107.30 177.4 177.4 6.650 28.950 24.957 -87.2 340.7 177.2 320 1334 C 3 H 3 A 1.050 22.350 20 278.8 -15.5 7.866E-04 3322556477.79687 107.30 171.5 171.5 6.650 29.000 25.000 -81.6 317.9 171.6 320 1334 C 3 H 3 A 1.100 22.400 20 287.3 -30.3 3.692E-04 3322556483.12500 107.30 180.0 180.0 6.650 29.050 25.043 -81.7 48.0 171.7 320 1334 C 3 H 3 A 1.150 22.450 20 83.8 -33.7 2.439E-04 3322556488.45312 107.30 336.5 -23.5 6.650 29.100 25.086 54.8 89.1 35.2 320 1334 C 3 H 3 A 1.200 22.500 20 283.9 -23.0 2.666E-04 3322556493.78125 107.30 176.6 176.6 6.650 29.150 25.129 -84.8 8.3 174.8 320 1334 C 3 H 3 A 1.250 22.550 20 284.1 -18.5 4.398E-04 3322556499.09375 107.30 176.8 176.8 6.650 29.200 25.172 -86.5 343.6 176.5 320 1334 C 3 H 3 A 1.300 22.600 20 285.3 -22.4 5.830E-04 3322556504.42187 107.30 178.0 178.0 6.650 29.250 25.216 -85.9 19.8 175.9 320 1334 C 3 H 3 A 1.350 22.650 20 283.8 -14.6 1.269E-03 3322556509.75000 107.30 176.5 176.5 6.650 29.300 25.259 -86.5 308.8 176.5 320 1334 C 3 H 3 A 1.400 22.700 20 282.8 -11.9 2.148E-03 3322556515.07812 107.30 175.5 175.5 6.650 29.350 25.302 -85.1 294.4 175.1 320 1334 C 3 H 4 A 0.100 22.900 20 289.8 -15.5 2.466E-03 3322557260.68750 107.30 182.5 182.5 6.650 29.550 25.474 -87.5 140.3 177.5 320 1334 C 3 H 4 A 0.150 22.950 20 292.6 -19.8 1.650E-03 3322557266.01562 107.30 185.3 185.3 6.650 29.600 25.517 -84.3 114.8 174.3 320 1334 C 3 H 4 A 0.200 23.000 20 146.6 -26.6 9.291E-04 3322557271.34375 107.30 39.3 39.3 6.650 29.650 25.560 45.2 347.3 44.8 320 1334 C 3 H 4 A 0.250 23.050 20 105.3 -14.9 1.236E-03 3322557276.65625 107.30 358.0 -2.0 6.650 29.700 25.603 74.3 55.4 15.7 320 1334 C 3 H 4 A 0.300 23.100 20 116.3 -7.8 1.660E-03 3322557281.98437 107.30 9.0 9.0 6.650 29.750 25.647 75.1 10.7 14.9 320 1334 C 3 H 4 A 0.350 23.150 20 114.6 -5.7 1.862E-03 3322557287.31250 107.30 7.3 7.3 6.650 29.800 25.690 76.9 13.9 13.1 320 1334 C 3 H 4 A 0.400 23.200 20 114.4 -4.1 1.649E-03 3322557292.64062 107.30 7.1 7.1 6.650 29.850 25.733 77.7 12.6 12.3 320 1334 C 3 H 4 A 0.450 23.250 20 112.5 -3.2 1.302E-03 3322557297.95312 107.30 5.2 5.2 6.650 29.900 25.776 79.1 19.4 10.9 320 1334 C 3 H 4 A 0.500 23.300 20 113.4 -7.5 6.327E-04 3322557303.28125 107.30 6.1 6.1 6.650 29.950 25.819 76.8 20.5 13.3 320 1334 C 3 H 4 A 0.550 23.350 20 273.6 -23.9 3.882E-04 3322557308.60937 107.30 166.3 166.3 6.650 30.000 25.862 -75.8 337.6 165.8 320 1334 C 3 H 4 A 0.600 23.400 20 280.1 -25.7 4.998E-04 3322557313.93750 107.30 172.8 172.8 6.650 30.050 25.905 -81.0 356.7 171.0 320 1334 C 3 H 4 A 0.650 23.450 20 281.6 -30.7 4.379E-04 3322557319.26562 107.30 174.3 174.3 6.650 30.100 25.948 -79.8 15.5 169.8 320 1334 C 3 H 4 A 0.700 23.500 20 275.1 -37.3 4.681E-04 3322557324.59375 107.30 167.8 167.8 6.650 30.150 25.991 -72.6 6.8 162.6 320 1334 C 3 H 4 A 0.750 23.550 20 293.4 -47.4 5.195E-04 3322557329.92187 107.30 186.1 186.1 6.650 30.200 26.034 -68.7 62.9 158.7 320 1334 C 3 H 4 A 0.800 23.600 20 300.4 -42.2 6.669E-04 3322557335.23437 107.30 193.1 193.1 6.650 30.250 26.078 -69.4 83.9 159.4 320 1334 C 3 H 4 A 0.850 23.650 20 291.1 -20.7 1.479E-03 3322557340.56250 107.30 183.8 183.8 6.650 30.300 26.121 -85.4 102.0 175.4 320 1334 C 3 H 4 A 0.900 23.700 20 291.2 -16.0 1.823E-03 3322557345.89062 107.30 183.9 183.9 6.650 30.350 26.164 -86.1 135.4 176.1 320 1334 C 3 H 4 A 0.950 23.750 20 288.0 -15.1 1.942E-03 3322557351.21875 107.30 180.7 180.7 6.650 30.400 26.207 -89.2 162.5 179.2 320 1334 C 3 H 4 A 1.000 23.800 20 290.7 -17.6 1.652E-03 3322557356.54687 107.30 183.4 183.4 6.650 30.450 26.250 -86.5 121.0 176.5 320 1334 C 3 H 4 A 1.050 23.850 20 286.1 -18.0 1.465E-03 3322557361.87500 107.30 178.8 178.8 6.650 30.500 26.293 -88.3 4.1 178.3 320 1334 C 3 H 4 A 1.100 23.900 20 288.5 -17.4 1.338E-03 3322557367.18750 107.30 181.2 181.2 6.650 30.550 26.336 -88.5 100.6 178.5 320 1334 C 3 H 4 A 1.150 23.950 20 292.3 -17.3 1.241E-03 3322557372.51562 107.30 185.0 185.0 6.650 30.600 26.379 -85.0 127.9 175.0 320 1334 C 3 H 4 A 1.200 24.000 20 295.6 -16.8 1.157E-03 3322557377.82812 107.30 188.3 188.3 6.650 30.650 26.422 -81.8 133.4 171.8 320 1334 C 3 H 4 A 1.250 24.050 20 301.8 -25.2 7.450E-04 3322557383.15625 107.30 194.5 194.5 6.650 30.700 26.466 -74.8 116.6 164.8 320 1334 C 3 H 4 A 1.300 24.100 20 84.7 -37.2 5.182E-04 3322557388.48437 107.30 337.4 -22.6 6.650 30.750 26.509 53.6 85.3 36.4 320 1334 C 3 H 4 A 1.350 24.150 20 117.5 -22.9 7.210E-04 3322557393.81250 107.30 10.2 10.2 6.650 30.800 26.552 67.6 20.9 22.4 320 1334 C 3 H 4 A 1.400 24.200 20 121.3 -4.9 2.537E-03 3322557399.14062 107.30 14.0 14.0 6.650 30.850 26.595 72.6 354.3 17.4 320 1334 C 3 H 5 A 0.100 24.400 20 115.1 -10.0 2.148E-03 3322558748.68750 107.30 7.8 7.8 6.650 31.050 26.767 74.8 17.0 15.2 320 1334 C 3 H 5 A 0.150 24.450 20 114.2 -8.9 1.829E-03 3322558754.00000 107.30 6.9 6.9 6.650 31.100 26.810 75.8 18.9 14.3 320 1334 C 3 H 5 A 0.200 24.500 20 114.1 -7.0 1.636E-03 3322558759.32812 107.30 6.8 6.8 6.650 31.150 26.853 76.6 17.3 13.4 320 1334 C 3 H 5 A 0.250 24.550 20 112.1 -5.1 1.655E-03 3322558764.65625 107.30 4.8 4.8 6.650 31.200 26.897 78.4 23.4 11.6 320 1334 C 3 H 5 A 0.300 24.600 20 110.2 -5.2 1.489E-03 3322558769.98437 107.30 2.9 2.9 6.650 31.250 26.940 79.0 32.7 11.0 320 1334 C 3 H 5 A 0.350 24.650 20 109.8 -8.5 1.306E-03 3322558775.31250 107.30 2.5 2.5 6.650 31.300 26.983 77.5 36.5 12.5 320 1334 C 3 H 5 A 0.400 24.700 20 131.1 -32.4 6.292E-04 3322558780.64062 107.30 23.8 23.8 6.650 31.350 27.026 55.2 5.6 34.8 320 1334 C 3 H 5 A 0.450 24.750 20 258.1 -49.6 5.101E-04 3322558785.96875 107.30 150.8 150.8 6.650 31.400 27.069 -54.7 1.4 144.7 320 1334 C 3 H 5 A 0.500 24.800 20 281.1 -13.5 1.236E-03 3322558791.29687 107.30 173.8 173.8 6.650 31.450 27.112 -83.7 307.8 173.7 320 1334 C 3 H 5 A 0.550 24.850 20 285.1 -18.1 1.050E-03 3322558796.60937 107.30 177.8 177.8 6.650 31.500 27.155 -87.5 348.7 177.5 320 1334 C 3 H 5 A 0.600 24.900 20 285.5 -28.8 8.533E-04 3322558801.93750 107.30 178.2 178.2 6.650 31.550 27.198 -82.4 34.8 172.4 320 1334 C 3 H 5 A 0.650 24.950 20 293.2 -27.3 8.392E-04 3322558807.26562 107.30 185.9 185.9 6.650 31.600 27.241 -81.3 89.3 171.3 320 1334 C 3 H 5 A 0.700 25.000 20 290.7 -24.3 9.961E-04 3322558812.59375 107.30 183.4 183.4 6.650 31.650 27.284 -84.2 83.1 174.2 320 1334 C 3 H 5 A 0.750 25.050 20 292.3 -21.6 1.200E-03 3322558817.92187 107.30 185.0 185.0 6.650 31.700 27.328 -84.1 104.7 174.1 320 1334 C 3 H 5 A 0.800 25.100 20 292.6 -19.1 1.010E-03 3322558823.23437 107.30 185.3 185.3 6.650 31.750 27.371 -84.5 118.4 174.5 320 1334 C 3 H 5 A 0.850 25.150 20 294.1 -19.7 6.959E-04 3322558828.56250 107.30 186.8 186.8 6.650 31.800 27.414 -83.0 119.8 173.0 320 1334 C 3 H 5 A 0.900 25.200 20 293.5 -19.9 6.823E-04 3322558833.89062 107.30 186.2 186.2 6.650 31.850 27.457 -83.5 117.3 173.5 320 1334 C 3 H 5 A 0.950 25.250 20 289.4 -19.3 6.796E-04 3322558839.20312 107.30 182.1 182.1 6.650 31.900 27.500 -87.2 94.9 177.2 320 1334 C 3 H 5 A 1.000 25.300 20 289.6 -20.3 5.106E-04 3322558844.53125 107.30 182.3 182.3 6.650 31.950 27.543 -86.6 90.3 176.6 320 1334 C 3 H 5 A 1.050 25.350 20 292.2 -41.3 2.249E-04 3322558849.85937 107.30 184.9 184.9 6.650 32.000 27.586 -73.6 64.1 163.6 320 1334 C 3 H 5 A 1.100 25.400 20 90.1 -25.0 3.245E-04 3322558855.18750 107.30 342.8 -17.2 6.650 32.050 27.629 62.8 87.1 27.2 320 1334 C 3 H 5 A 1.150 25.450 20 73.4 -59.0 1.865E-04 3322558860.51562 107.30 326.1 -33.9 6.650 32.100 27.672 32.9 78.7 57.1 320 1334 C 3 H 5 A 1.200 25.500 20 296.5 -47.7 3.096E-04 3322558865.84375 107.30 189.2 189.2 6.650 32.150 27.716 -67.5 69.5 157.5 320 1334 C 3 H 5 A 1.250 25.550 20 287.0 -11.6 1.224E-03 3322558871.15625 107.30 179.7 179.7 6.650 32.200 27.759 -87.8 236.0 177.8 320 1334 C 3 H 5 A 1.300 25.600 20 286.3 -4.4 1.233E-03 3322558876.48437 107.30 179.0 179.0 6.650 32.250 27.802 -84.1 237.8 174.1 320 1334 C 3 H 5 A 1.350 25.650 20 288.4 -1.6 1.463E-03 3322558881.81250 107.30 181.1 181.1 6.650 32.300 27.845 -82.7 219.3 172.7 320 1334 C 3 H 5 A 1.400 25.700 20 290.6 -3.0 1.722E-03 3322558887.14062 107.30 183.3 183.3 6.650 32.350 27.888 -82.7 201.0 172.7 320 1334 C 3 H 6 A 0.100 25.900 20 283.2 -23.8 6.004E-04 3322559571.03125 107.30 175.9 175.9 6.650 32.550 28.060 -84.0 6.1 174.0 320 1334 C 3 H 6 A 0.150 25.950 20 282.8 -31.4 6.580E-04 3322559576.35937 107.30 175.5 175.5 6.650 32.600 28.103 -80.0 22.4 170.0 320 1334 C 3 H 6 A 0.200 26.000 20 289.1 -22.8 7.290E-04 3322559581.68750 107.30 181.8 181.8 6.650 32.650 28.147 -85.7 72.5 175.7 320 1334 C 3 H 6 A 0.250 26.050 20 289.2 -18.8 7.798E-04 3322559587.01562 107.30 181.9 181.9 6.650 32.700 28.190 -87.5 96.4 177.5 320 1334 C 3 H 6 A 0.300 26.100 20 285.4 -19.0 6.479E-04 3322559592.34375 107.30 178.1 178.1 6.650 32.750 28.233 -87.4 1.5 177.4 320 1334 C 3 H 6 A 0.350 26.150 20 282.8 -20.8 5.362E-04 3322559597.65625 107.30 175.5 175.5 6.650 32.800 28.276 -84.8 350.2 174.8 320 1334 C 3 H 6 A 0.400 26.200 20 282.6 -21.5 5.169E-04 3322559602.98437 107.30 175.3 175.3 6.650 32.850 28.319 -84.4 352.5 174.4 320 1334 C 3 H 6 A 0.450 26.250 20 289.9 -19.2 6.319E-04 3322559608.31250 107.30 182.6 182.6 6.650 32.900 28.362 -86.8 101.7 176.8 320 1334 C 3 H 6 A 0.500 26.300 20 281.2 -12.6 1.216E-03 3322559613.64062 107.30 173.9 173.9 6.650 32.950 28.405 -83.7 303.4 173.7 320 1334 C 3 H 6 A 0.550 26.350 20 281.6 -15.3 1.232E-03 3322559618.96875 107.30 174.3 174.3 6.650 33.000 28.448 -84.4 316.3 174.4 320 1334 C 3 H 6 A 0.600 26.400 20 283.3 -17.9 1.113E-03 3322559624.29687 107.30 176.0 176.0 6.650 33.050 28.491 -85.9 334.9 175.9 320 1334 C 3 H 6 A 0.650 26.450 20 288.6 -18.5 8.150E-04 3322559629.60937 107.30 181.3 181.3 6.650 33.100 28.534 -88.0 88.6 178.0 320 1334 C 3 H 6 A 0.700 26.500 20 290.8 -12.8 7.899E-04 3322559634.93750 107.30 183.5 183.5 6.650 33.150 28.578 -86.2 161.4 176.2 320 1334 C 3 H 6 A 0.750 26.550 20 285.5 -9.1 8.452E-04 3322559640.26562 107.30 178.2 178.2 6.650 33.200 28.621 -86.1 255.7 176.1 320 1334 C 3 H 6 A 0.800 26.600 20 285.6 -12.9 6.714E-04 3322559645.57812 107.30 178.3 178.3 6.650 33.250 28.664 -87.8 277.1 177.8 320 1334 C 3 H 6 A 0.850 26.650 20 280.4 -19.5 7.288E-04 3322559650.90625 107.30 173.1 173.1 6.650 33.300 28.707 -82.9 335.2 172.9 320 1334 C 3 H 6 A 0.900 26.700 20 282.9 -19.8 1.142E-03 3322559656.23437 107.30 175.6 175.6 6.650 33.350 28.750 -85.1 345.3 175.1 320 1334 C 3 H 6 A 0.950 26.750 20 286.0 -9.1 2.217E-03 3322559661.54687 107.30 178.7 178.7 6.650 33.400 28.793 -86.3 248.8 176.3 320 1334 C 3 H 6 A 1.000 26.800 20 289.7 -7.7 2.444E-03 3322559666.87500 107.30 182.4 182.4 6.650 33.450 28.836 -85.2 197.9 175.2 320 1334 C 3 H 6 A 1.050 26.850 20 288.8 -8.7 2.717E-03 3322559672.20312 107.30 181.5 181.5 6.650 33.500 28.879 -86.1 205.6 176.1 320 1334 C 3 H 6 A 1.100 26.900 20 292.4 -10.1 2.785E-03 3322559677.53125 107.30 185.1 185.1 6.650 33.550 28.922 -84.2 167.6 174.2 320 1334 C 3 H 6 A 1.150 26.950 20 291.1 -10.2 2.705E-03 3322559682.85937 107.30 183.8 183.8 6.650 33.600 28.966 -85.3 174.9 175.3 320 1334 C 3 H 6 A 1.200 27.000 20 287.5 -10.5 2.421E-03 3322559688.17187 107.30 180.2 180.2 6.650 33.650 29.009 -87.3 223.8 177.3 320 1334 C 3 H 6 A 1.250 27.050 20 288.9 -11.9 1.969E-03 3322559693.50000 107.30 181.6 181.6 6.650 33.700 29.052 -87.5 189.3 177.5 320 1334 C 3 H 6 A 1.300 27.100 20 291.8 -13.3 1.440E-03 3322559698.82812 107.30 184.5 184.5 6.650 33.750 29.095 -85.4 153.5 175.4 320 1334 C 3 H 6 A 1.350 27.150 20 289.1 -7.7 1.547E-03 3322559704.15625 107.30 181.8 181.8 6.650 33.800 29.138 -85.5 204.5 175.5 320 1334 C 3 H 6 A 1.400 27.200 20 292.5 -3.4 1.543E-03 3322559709.48437 107.30 185.2 185.2 6.650 33.850 29.181 -81.9 188.3 171.9 320 1334 C 3 H 7 A 0.100 27.400 20 289.4 -14.4 1.455E-03 3322560556.40625 107.30 182.1 182.1 6.650 34.050 29.353 -87.8 156.1 177.8 320 1334 C 3 H 7 A 0.150 27.450 20 285.4 -14.4 1.667E-03 3322560561.73437 107.30 178.1 178.1 6.650 34.100 29.397 -88.0 298.2 178.0 320 1334 C 3 H 7 A 0.200 27.500 20 284.6 -14.8 1.790E-03 3322560567.06250 107.30 177.3 177.3 6.650 34.150 29.440 -87.3 308.2 177.3 320 1334 C 3 H 7 A 0.250 27.550 20 286.4 -12.7 2.136E-03 3322560572.39062 107.30 179.1 179.1 6.650 34.200 29.483 -88.2 257.7 178.2 320 1334 C 3 H 7 A 0.300 27.600 20 291.0 -8.5 3.327E-03 3322560577.70312 107.30 183.7 183.7 6.650 34.250 29.526 -84.8 183.2 174.8 320 1334 C 3 H 7 A 0.350 27.650 20 291.5 -14.9 3.723E-03 3322560583.03125 107.30 184.2 184.2 6.650 34.300 29.569 -85.8 143.5 175.8 320 1334 C 3 H 7 A 0.400 27.700 20 288.4 -25.9 2.819E-03 3322560588.35937 107.30 181.1 181.1 6.650 34.350 29.612 -84.3 58.8 174.3 320 1334 C 3 H 7 A 0.450 27.750 20 285.1 -21.1 2.147E-03 3322560593.68750 107.30 177.8 177.8 6.650 34.400 29.655 -86.4 11.6 176.4 320 1334 C 3 H 7 A 0.500 27.800 20 288.6 -11.9 2.127E-03 3322560599.00000 107.30 181.3 181.3 6.650 34.450 29.698 -87.6 194.9 177.6 320 1334 C 3 H 7 A 0.550 27.850 20 296.1 -10.1 2.052E-03 3322560604.32812 107.30 188.8 188.8 6.650 34.500 29.741 -80.8 155.9 170.8 320 1334 C 4 H 1 A 0.400 28.900 20 315.8 0.2 1.683E-03 3322562184.96875 164.80 151.0 151.0 10.040 38.940 33.569 -60.0 303.7 150.0 320 1334 C 4 H 1 A 0.450 28.950 20 313.8 -0.6 1.090E-03 3322562190.29687 164.80 149.0 149.0 10.040 38.990 33.612 -58.2 305.5 148.2 320 1334 C 4 H 1 A 0.500 29.000 20 154.2 3.7 1.485E-03 3322562195.62500 164.80 349.4 -10.6 10.040 39.040 33.655 77.8 108.4 12.2 320 1334 C 4 H 1 A 0.550 29.050 20 133.5 7.8 1.566E-03 3322562200.95312 164.80 328.7 -31.3 10.040 39.090 33.698 58.6 132.4 31.4 320 1334 C 4 H 1 A 0.600 29.100 20 134.1 9.1 1.698E-03 3322562206.28125 164.80 329.3 -30.7 10.040 39.140 33.741 59.3 133.5 30.7 320 1334 C 4 H 1 A 0.650 29.150 20 140.7 -8.7 1.314E-03 3322562211.59375 164.80 335.9 -24.1 10.040 39.190 33.784 63.0 111.6 27.0 320 1334 C 4 H 1 A 0.700 29.200 20 323.4 -7.3 5.840E-04 3322562216.92187 164.80 158.6 158.6 10.040 39.240 33.828 -68.3 307.8 158.3 320 1334 C 4 H 1 A 0.750 29.250 20 314.6 -12.5 1.828E-03 3322562222.25000 164.80 149.8 149.8 10.040 39.290 33.871 -60.0 316.8 150.0 320 1334 C 4 H 1 A 0.800 29.300 20 314.3 -16.7 2.262E-03 3322562227.57812 164.80 149.5 149.5 10.040 39.340 33.914 -59.8 321.3 149.8 320 1334 C 4 H 1 A 0.850 29.350 20 316.1 -18.3 2.199E-03 3322562232.90625 164.80 151.3 151.3 10.040 39.390 33.957 -61.6 323.0 151.6 320 1334 C 4 H 1 A 0.900 29.400 20 321.1 -9.1 3.859E-03 3322562238.23437 164.80 156.3 156.3 10.040 39.440 34.000 -66.2 311.2 156.2 320 1334 C 4 H 1 A 0.950 29.450 20 316.8 -7.8 3.894E-03 3322562243.54687 164.80 152.0 152.0 10.040 39.490 34.043 -61.9 311.3 151.9 320 1334 C 4 H 1 A 1.000 29.500 20 318.8 -5.0 1.890E-03 3322562248.87500 164.80 154.0 154.0 10.040 39.540 34.086 -63.5 307.5 153.5 320 1334 C 4 H 1 A 1.050 29.550 20 139.8 -15.1 6.151E-04 3322562254.20312 164.80 335.0 -25.0 10.040 39.590 34.129 60.6 106.5 29.5 320 1334 C 4 H 1 A 1.100 29.600 20 150.2 -2.9 2.646E-03 3322562259.53125 164.80 345.4 -14.6 10.040 39.640 34.172 72.6 105.7 17.4 320 1334 C 4 H 1 A 1.150 29.650 20 142.9 -1.7 3.603E-03 3322562264.84375 164.80 338.1 -21.9 10.040 39.690 34.216 66.4 116.9 23.6 320 1334 C 4 H 1 A 1.200 29.700 20 145.2 1.8 3.608E-03 3322562270.15625 164.80 340.4 -19.6 10.040 39.740 34.259 69.2 119.0 20.8 320 1334 C 4 H 1 A 1.250 29.750 20 154.2 6.7 3.183E-03 3322562275.48437 164.80 349.4 -10.6 10.040 39.790 34.302 78.5 114.9 11.5 320 1334 C 4 H 1 A 1.300 29.800 20 151.7 5.8 2.565E-03 3322562280.81250 164.80 346.9 -13.1 10.040 39.840 34.345 76.0 117.4 14.0 320 1334 C 4 H 1 A 1.350 29.850 20 155.2 8.5 1.305E-03 3322562286.14062 164.80 350.4 -9.6 10.040 39.890 34.388 79.8 117.3 10.2 320 1334 C 4 H 1 A 1.400 29.900 20 321.5 -37.0 6.590E-04 3322562291.46875 164.80 156.7 156.7 10.040 39.940 34.431 -64.2 349.8 154.2 320 1334 C 4 H 2 A 0.100 30.100 20 328.7 -11.3 4.941E-03 3322563082.60937 164.80 163.9 163.9 10.040 40.140 34.603 -73.9 310.9 163.9 320 1334 C 4 H 2 A 0.150 30.150 20 326.9 -25.2 2.937E-03 3322563087.93750 164.80 162.1 162.1 10.040 40.190 34.647 -71.7 336.1 161.7 320 1334 C 4 H 2 A 0.200 30.200 20 323.7 -22.7 3.235E-03 3322563093.26562 164.80 158.9 158.9 10.040 40.240 34.690 -68.9 330.1 158.9 320 1334 C 4 H 2 A 0.250 30.250 20 332.8 -15.6 4.630E-03 3322563098.59375 164.80 168.0 168.0 10.040 40.290 34.733 -78.1 318.6 168.1 320 1334 C 4 H 2 A 0.300 30.300 20 321.5 -15.6 4.937E-03 3322563103.90625 164.80 156.7 156.7 10.040 40.340 34.776 -66.9 319.5 156.9 320 1334 C 4 H 2 A 0.350 30.350 20 324.5 -16.8 4.764E-03 3322563109.23437 164.80 159.7 159.7 10.040 40.390 34.819 -69.9 321.2 159.9 320 1334 C 4 H 2 A 0.400 30.400 20 326.5 -16.1 4.612E-03 3322563114.56250 164.80 161.7 161.7 10.040 40.440 34.862 -71.9 320.0 161.9 320 1334 C 4 H 2 A 0.450 30.450 20 327.4 -15.7 3.988E-03 3322563119.89062 164.80 162.6 162.6 10.040 40.490 34.905 -72.8 319.3 162.8 320 1334 C 4 H 2 A 0.500 30.500 20 326.9 -15.6 3.609E-03 3322563125.21875 164.80 162.1 162.1 10.040 40.540 34.948 -72.3 319.1 162.3 320 1334 C 4 H 2 A 0.550 30.550 20 329.1 -13.9 2.800E-03 3322563130.53125 164.80 164.3 164.3 10.040 40.590 34.991 -74.4 315.6 164.4 320 1334 C 4 H 2 A 0.600 30.600 20 331.1 -18.3 2.462E-03 3322563135.85937 164.80 166.3 166.3 10.040 40.640 35.034 -76.4 324.9 166.4 320 1334 C 4 H 2 A 0.650 30.650 20 317.6 -22.1 2.319E-03 3322563141.18750 164.80 152.8 152.8 10.040 40.690 35.078 -63.0 327.6 153.0 320 1334 C 4 H 2 A 0.700 30.700 20 321.0 -25.9 4.246E-03 3322563146.51562 164.80 156.2 156.2 10.040 40.740 35.121 -66.0 333.7 156.0 320 1334 C 4 H 2 A 0.750 30.750 20 322.7 -24.3 4.072E-03 3322563151.84375 164.80 157.9 157.9 10.040 40.790 35.164 -67.8 332.1 157.8 320 1334 C 4 H 2 A 0.800 30.800 20 329.4 -17.7 4.085E-03 3322563157.17187 164.80 164.6 164.6 10.040 40.840 35.207 -74.7 323.2 164.7 320 1334 C 4 H 2 A 0.850 30.850 20 319.2 -13.4 4.674E-03 3322563162.48437 164.80 154.4 154.4 10.040 40.890 35.250 -64.6 317.0 154.6 320 1334 C 4 H 2 A 0.900 30.900 20 317.4 -16.4 4.603E-03 3322563167.81250 164.80 152.6 152.6 10.040 40.940 35.293 -62.9 320.8 152.9 320 1334 C 4 H 2 A 0.950 30.950 20 333.0 -19.1 3.428E-03 3322563173.14062 164.80 168.2 168.2 10.040 40.990 35.336 -78.2 327.8 168.2 320 1334 C 4 H 2 A 1.000 31.000 20 340.7 -16.2 1.688E-03 3322563178.46875 164.80 175.9 175.9 10.040 41.040 35.379 -85.9 322.1 175.9 320 1334 C 4 H 2 A 1.050 31.050 20 340.1 -17.3 1.528E-03 3322563183.78125 164.80 175.3 175.3 10.040 41.090 35.422 -85.3 328.8 175.3 320 1334 C 4 H 2 A 1.100 31.100 20 334.5 -14.9 1.621E-03 3322563189.10937 164.80 169.7 169.7 10.040 41.140 35.466 -79.8 316.4 169.8 320 1334 C 4 H 2 A 1.150 31.150 20 328.6 -13.9 1.971E-03 3322563194.43750 164.80 163.8 163.8 10.040 41.190 35.509 -73.9 315.8 163.9 320 1334 C 4 H 2 A 1.200 31.200 20 326.6 -23.9 2.281E-03 3322563199.76562 164.80 161.8 161.8 10.040 41.240 35.552 -71.5 333.6 161.5 320 1334 C 4 H 2 A 1.250 31.250 20 327.6 -24.3 2.251E-03 3322563205.09375 164.80 162.8 162.8 10.040 41.290 35.595 -72.4 335.1 162.4 320 1334 C 4 H 2 A 1.300 31.300 20 338.8 -15.7 3.516E-03 3322563210.40625 164.80 174.0 174.0 10.040 41.340 35.638 -84.1 318.5 174.1 320 1334 C 4 H 2 A 1.350 31.350 20 335.8 -15.7 3.738E-03 3322563215.73437 164.80 171.0 171.0 10.040 41.390 35.681 -81.1 318.7 171.1 320 1334 C 4 H 2 A 1.400 31.400 20 336.5 -14.8 3.684E-03 3322563221.06250 164.80 171.7 171.7 10.040 41.440 35.724 -81.8 315.3 171.8 320 1334 C 4 H 3 A 0.100 31.600 20 337.6 -18.1 3.132E-03 3322564979.18750 164.80 172.8 172.8 10.040 41.640 35.897 -82.8 328.8 172.8 320 1334 C 4 H 3 A 0.150 31.650 20 299.7 -47.9 1.110E-03 3322564984.50000 164.80 134.9 134.9 10.040 41.690 35.940 -42.8 350.4 132.8 320 1334 C 4 H 3 A 0.200 31.700 20 140.4 -22.3 4.091E-04 3322564989.82812 164.80 335.6 -24.4 10.040 41.740 35.983 58.8 99.4 31.2 320 1334 C 4 H 3 A 0.250 31.750 20 171.2 3.9 1.477E-03 3322564995.15625 164.80 6.4 6.4 10.040 41.790 36.026 81.2 1.2 8.8 320 1334 C 4 H 3 A 0.300 31.800 20 150.1 9.0 2.381E-03 3322565000.48437 164.80 345.3 -14.7 10.040 41.840 36.069 75.0 125.5 15.0 320 1334 C 4 H 3 A 0.350 31.850 20 156.9 7.2 3.145E-03 3322565005.79687 164.80 352.1 -7.9 10.040 41.890 36.112 81.0 109.3 9.0 320 1334 C 4 H 3 A 0.400 31.900 20 157.5 7.5 2.671E-03 3322565011.12500 164.80 352.7 -7.3 10.040 41.940 36.155 81.6 108.2 8.4 320 1334 C 4 H 3 A 0.450 31.950 20 161.2 5.9 2.396E-03 3322565016.45312 164.80 356.4 -3.6 10.040 41.990 36.198 83.8 83.6 6.2 320 1334 C 4 H 3 A 0.500 32.000 20 163.2 4.0 2.839E-03 3322565021.78125 164.80 358.4 -1.6 10.040 42.040 36.241 83.8 63.0 6.2 320 1334 C 4 H 3 A 0.550 32.050 20 162.5 7.1 3.034E-03 3322565027.10937 164.80 357.7 -2.3 10.040 42.090 36.284 85.0 75.4 5.0 320 1334 C 4 H 3 A 0.600 32.100 20 160.1 14.7 2.973E-03 3322565032.42187 164.80 355.3 -4.7 10.040 42.140 36.328 85.3 131.9 4.7 320 1334 C 4 H 3 A 0.650 32.150 20 159.3 17.4 3.044E-03 3322565037.75000 164.80 354.5 -5.5 10.040 42.190 36.371 84.5 147.9 5.5 320 1334 C 4 H 3 A 0.700 32.200 20 165.9 9.0 2.895E-03 3322565043.07812 164.80 1.1 1.1 10.040 42.240 36.414 86.4 30.5 3.6 320 1334 C 4 H 3 A 0.750 32.250 20 167.1 3.1 2.818E-03 3322565048.40625 164.80 2.3 2.3 10.040 42.290 36.457 83.2 28.4 6.8 320 1334 C 4 H 3 A 0.800 32.300 20 165.4 0.9 2.972E-03 3322565053.73437 164.80 0.6 0.6 10.040 42.340 36.500 82.4 43.5 7.6 320 1334 C 4 H 3 A 0.850 32.350 20 163.9 -1.9 3.045E-03 3322565059.04687 164.80 359.1 -0.9 10.040 42.390 36.543 81.0 53.8 9.0 320 1334 C 4 H 3 A 0.900 32.400 20 163.2 -1.0 2.843E-03 3322565064.37500 164.80 358.4 -1.6 10.040 42.440 36.586 81.4 58.7 8.7 320 1334 C 4 H 3 A 0.950 32.450 20 162.9 -1.2 2.858E-03 3322565069.70312 164.80 358.1 -1.9 10.040 42.490 36.629 81.2 60.5 8.8 320 1334 C 4 H 3 A 1.000 32.500 20 161.7 -2.0 2.797E-03 3322565075.03125 164.80 356.9 -3.1 10.040 42.540 36.672 80.5 67.1 9.5 320 1334 C 4 H 3 A 1.050 32.550 20 160.9 -3.3 2.544E-03 3322565080.35937 164.80 356.1 -3.9 10.040 42.590 36.716 79.6 70.1 10.4 320 1334 C 4 H 3 A 1.100 32.600 20 159.1 -8.9 1.261E-03 3322565085.67187 164.80 354.3 -5.7 10.040 42.640 36.759 76.3 72.7 13.7 320 1334 C 4 H 3 A 1.150 32.650 20 333.4 -17.9 5.813E-04 3322565091.00000 164.80 168.6 168.6 10.040 42.690 36.802 -78.7 324.8 168.7 320 1334 C 4 H 3 A 1.200 32.700 20 348.3 1.2 1.228E-03 3322565096.32812 164.80 183.5 183.5 10.040 42.740 36.845 -80.7 205.8 170.7 320 1334 C 4 H 3 A 1.250 32.750 20 344.2 -1.3 2.110E-03 3322565101.65625 164.80 179.4 179.4 10.040 42.790 36.888 -82.6 232.7 172.6 320 1334 C 4 H 3 A 1.300 32.800 20 341.3 -12.1 1.810E-03 3322565106.98437 164.80 176.5 176.5 10.040 42.840 36.931 -86.1 289.8 176.1 320 1334 C 4 H 3 A 1.350 32.850 20 327.7 -31.0 8.576E-04 3322565112.29687 164.80 162.9 162.9 10.040 42.890 36.974 -71.2 347.3 161.2 320 1334 C 4 H 3 A 1.400 32.900 20 338.6 -28.6 1.347E-03 3322565117.62500 164.80 173.8 173.8 10.040 42.940 37.017 -80.6 8.7 170.6 320 1334 C 4 H 4 A 0.100 33.100 20 350.3 -5.8 4.698E-03 3322565761.65625 164.80 185.5 185.5 10.040 43.140 37.190 -82.5 180.7 172.5 320 1334 C 4 H 4 A 0.150 33.150 20 344.2 -6.6 4.379E-03 3322565766.98437 164.80 179.4 179.4 10.040 43.190 37.233 -85.3 235.3 175.3 320 1334 C 4 H 4 A 0.200 33.200 20 347.0 -6.4 4.210E-03 3322565772.31250 164.80 182.2 182.2 10.040 43.240 37.276 -84.7 203.4 174.7 320 1334 C 4 H 4 A 0.250 33.250 20 347.8 -7.1 3.912E-03 3322565777.62500 164.80 183.0 183.0 10.040 43.290 37.319 -84.7 193.9 174.7 320 1334 C 4 H 4 A 0.300 33.300 20 348.0 -12.1 2.336E-03 3322565782.95312 164.80 183.2 183.2 10.040 43.340 37.362 -86.3 168.5 176.3 320 1334 C 4 H 4 A 0.350 33.350 20 200.1 9.6 4.739E-04 3322565788.29687 164.80 35.3 35.3 10.040 43.390 37.405 54.8 321.0 35.2 320 1334 C 4 H 4 A 0.400 33.400 20 173.4 3.1 2.193E-03 3322565793.60937 164.80 8.6 8.6 10.040 43.440 37.448 79.3 354.6 10.7 320 1334 C 4 H 4 A 0.450 33.450 20 176.6 -0.5 3.024E-03 3322565798.93750 164.80 11.8 11.8 10.040 43.490 37.491 75.6 352.5 14.4 320 1334 C 4 H 4 A 0.500 33.500 20 173.1 -14.6 1.492E-03 3322565804.26562 164.80 8.3 8.3 10.040 43.540 37.534 72.5 19.6 17.5 320 1334 C 4 H 4 A 0.550 33.550 20 180.9 -32.5 6.836E-04 3322565809.59375 164.80 16.1 16.1 10.040 43.590 37.578 59.8 16.3 30.2 320 1334 C 4 H 4 A 0.600 33.600 20 328.3 -36.4 5.583E-04 3322565814.92187 164.80 163.5 163.5 10.040 43.640 37.621 -69.9 357.2 159.9 320 1334 C 4 H 4 A 0.650 33.650 20 350.0 -8.8 2.160E-03 3322565820.25000 164.80 185.2 185.2 10.040 43.690 37.664 -83.7 172.4 173.7 320 1334 C 4 H 4 A 0.700 33.700 20 351.6 -9.4 2.525E-03 3322565825.57812 164.80 186.8 186.8 10.040 43.740 37.707 -82.5 163.4 172.5 320 1334 C 4 H 4 A 0.750 33.750 20 353.0 -13.9 2.783E-03 3322565830.89062 164.80 188.2 188.2 10.040 43.790 37.750 -81.8 144.1 171.8 320 1334 C 4 H 4 A 0.800 33.800 20 347.6 -12.7 3.021E-03 3322565836.21875 164.80 182.8 182.8 10.040 43.840 37.793 -86.8 167.3 176.8 320 1334 C 4 H 4 A 0.850 33.850 20 347.5 -11.3 2.982E-03 3322565841.54687 164.80 182.7 182.7 10.040 43.890 37.836 -86.5 178.4 176.5 320 1334 C 4 H 4 A 0.900 33.900 20 347.9 -10.5 2.852E-03 3322565846.87500 164.80 183.1 183.1 10.040 43.940 37.879 -85.9 179.1 175.9 320 1334 C 4 H 4 A 0.950 33.950 20 350.1 -10.2 2.789E-03 3322565852.20312 164.80 185.3 185.3 10.040 43.990 37.922 -84.0 166.2 174.0 320 1334 C 4 H 4 A 1.000 34.000 20 350.1 -9.5 2.755E-03 3322565857.53125 164.80 185.3 185.3 10.040 44.040 37.966 -83.8 169.1 173.8 320 1334 C 4 H 4 A 1.050 34.050 20 350.0 -9.0 2.701E-03 3322565862.84375 164.80 185.2 185.2 10.040 44.090 38.009 -83.8 171.6 173.8 320 1334 C 4 H 4 A 1.100 34.100 20 349.6 -9.4 2.520E-03 3322565868.17187 164.80 184.8 184.8 10.040 44.140 38.052 -84.2 172.2 174.2 320 1334 C 4 H 4 A 1.150 34.150 20 348.7 -9.2 2.645E-03 3322565873.50000 164.80 183.9 183.9 10.040 44.190 38.095 -84.9 178.8 174.9 320 1334 C 4 H 4 A 1.200 34.200 20 347.9 -9.1 2.478E-03 3322565878.82812 164.80 183.1 183.1 10.040 44.240 38.138 -85.4 185.8 175.4 320 1334 C 4 H 4 A 1.250 34.250 20 350.0 -8.8 2.347E-03 3322565884.15625 164.80 185.2 185.2 10.040 44.290 38.181 -83.7 172.4 173.7 320 1334 C 4 H 4 A 1.300 34.300 20 349.3 -8.7 2.158E-03 3322565889.46875 164.80 184.5 184.5 10.040 44.340 38.224 -84.2 176.8 174.2 320 1334 C 4 H 4 A 1.350 34.350 20 354.4 -5.1 2.047E-03 3322565894.79687 164.80 189.6 189.6 10.040 44.390 38.267 -79.0 167.2 169.0 320 1334 C 4 H 4 A 1.400 34.400 20 354.5 -4.0 1.978E-03 3322565900.12500 164.80 189.7 189.7 10.040 44.440 38.310 -78.6 169.4 168.6 320 1334 C 4 H 5 A 0.100 34.600 20 178.7 -1.3 1.113E-03 3322567708.73437 164.80 13.9 13.9 10.040 44.640 38.483 73.7 349.4 16.3 320 1334 C 4 H 5 A 0.150 34.650 20 174.0 -1.6 1.502E-03 3322567714.06250 164.80 9.2 9.2 10.040 44.690 38.526 77.3 1.4 12.7 320 1334 C 4 H 5 A 0.200 34.700 20 177.5 0.0 1.600E-03 3322567719.37500 164.80 12.7 12.7 10.040 44.740 38.569 75.0 349.7 15.0 320 1334 C 4 H 5 A 0.250 34.750 20 175.5 11.3 2.051E-03 3322567724.70312 164.80 10.7 10.7 10.040 44.790 38.612 79.1 329.5 10.9 320 1334 C 4 H 5 A 0.300 34.800 20 176.9 33.5 1.726E-03 3322567730.03125 164.80 12.1 12.1 10.040 44.840 38.655 74.4 275.6 15.6 320 1334 C 4 H 5 A 0.350 34.850 20 179.1 39.1 2.478E-03 3322567735.35937 164.80 14.3 14.3 10.040 44.890 38.698 70.3 270.7 19.7 320 1334 C 4 H 5 A 0.400 34.900 20 175.0 27.5 3.306E-03 3322567740.67187 164.80 10.2 10.2 10.040 44.940 38.741 78.0 283.7 12.0 320 1334 C 4 H 5 A 0.450 34.950 20 175.1 20.5 2.938E-03 3322567746.00000 164.80 10.3 10.3 10.040 44.990 38.784 79.5 302.9 10.5 320 1334 C 4 H 5 A 0.500 35.000 20 175.1 15.1 2.768E-03 3322567751.32812 164.80 10.3 10.3 10.040 45.040 38.828 79.8 319.1 10.2 320 1334 C 4 H 5 A 0.550 35.050 20 173.8 16.8 2.482E-03 3322567756.65625 164.80 9.0 9.0 10.040 45.090 38.871 81.1 313.6 8.9 320 1334 C 4 H 5 A 0.600 35.100 20 174.3 12.8 2.131E-03 3322567761.98437 164.80 9.5 9.5 10.040 45.140 38.914 80.5 326.6 9.6 320 1334 C 4 H 5 A 0.650 35.150 20 175.9 15.4 2.084E-03 3322567767.31250 164.80 11.1 11.1 10.040 45.190 38.957 79.0 318.1 11.0 320 1334 C 4 H 5 A 0.700 35.200 20 173.1 14.1 2.470E-03 3322567772.62500 164.80 8.3 8.3 10.040 45.240 39.000 81.7 323.3 8.3 320 1334 C 4 H 5 A 0.750 35.250 20 171.1 13.9 2.876E-03 3322567777.95312 164.80 6.3 6.3 10.040 45.290 39.043 83.7 326.2 6.3 320 1334 C 4 H 5 A 0.800 35.300 20 172.7 12.9 3.251E-03 3322567783.28125 164.80 7.9 7.9 10.040 45.340 39.086 82.0 328.1 8.0 320 1334 C 4 H 5 A 0.850 35.350 20 168.8 18.2 1.406E-03 3322567788.60937 164.80 4.0 4.0 10.040 45.390 39.129 85.8 299.1 4.2 320 1334 C 4 H 5 A 0.900 35.400 20 176.2 5.2 1.061E-03 3322567793.92187 164.80 11.4 11.4 10.040 45.440 39.172 77.4 342.8 12.6 320 1334 C 4 H 5 A 0.950 35.450 20 174.1 2.6 1.649E-03 3322567799.25000 164.80 9.3 9.3 10.040 45.490 39.216 78.6 353.4 11.4 320 1334 C 4 H 5 A 1.000 35.500 20 176.1 1.7 2.382E-03 3322567804.57812 164.80 11.3 11.3 10.040 45.540 39.259 76.7 349.9 13.3 320 1334 C 4 H 5 A 1.050 35.550 20 174.6 -1.9 2.248E-03 3322567809.90625 164.80 9.8 9.8 10.040 45.590 39.302 76.8 0.1 13.3 320 1334 C 4 H 5 A 1.100 35.600 20 174.8 1.3 2.152E-03 3322567815.23437 164.80 10.0 10.0 10.040 45.640 39.345 77.6 354.0 12.4 320 1334 C 4 H 5 A 1.150 35.650 20 170.1 3.1 2.318E-03 3322567820.54687 164.80 5.3 5.3 10.040 45.690 39.388 81.7 8.5 8.3 320 1334 C 4 H 5 A 1.200 35.700 20 172.1 6.4 1.978E-03 3322567825.87500 164.80 7.3 7.3 10.040 45.740 39.431 81.3 351.0 8.7 320 1334 C 4 H 5 A 1.250 35.750 20 173.3 7.2 1.658E-03 3322567831.20312 164.80 8.5 8.5 10.040 45.790 39.474 80.5 345.0 9.5 320 1334 C 4 H 5 A 1.300 35.800 20 176.3 5.2 1.635E-03 3322567836.53125 164.80 11.5 11.5 10.040 45.840 39.517 77.4 342.6 12.7 320 1334 C 4 H 5 A 1.350 35.850 20 178.0 1.8 1.939E-03 3322567841.85937 164.80 13.2 13.2 10.040 45.890 39.560 75.1 345.7 15.0 320 1334 C 4 H 5 A 1.400 35.900 20 178.2 -1.6 2.077E-03 3322567847.17187 164.80 13.4 13.4 10.040 45.940 39.603 74.0 350.8 16.0 320 1334 C 4 H 6 A 0.100 36.100 20 188.7 -2.3 4.176E-03 3322568702.39062 164.80 23.9 23.9 10.040 46.140 39.776 64.5 338.0 25.5 320 1334 C 4 H 6 A 0.150 36.150 20 188.4 -3.8 3.513E-03 3322568707.71875 164.80 23.6 23.6 10.040 46.190 39.819 64.5 339.9 25.5 320 1334 C 4 H 6 A 0.200 36.200 20 191.6 -9.1 2.247E-03 3322568713.04687 164.80 26.8 26.8 10.040 46.240 39.862 60.5 342.3 29.6 320 1334 C 4 H 6 A 0.250 36.250 20 189.0 -9.9 2.224E-03 3322568718.35937 164.80 24.2 24.2 10.040 46.290 39.905 62.6 345.5 27.4 320 1334 C 4 H 6 A 0.300 36.300 20 186.4 -8.6 2.469E-03 3322568723.68750 164.80 21.6 21.6 10.040 46.340 39.948 65.2 347.1 24.8 320 1334 C 4 H 6 A 0.350 36.350 20 187.3 -6.9 2.445E-03 3322568729.01562 164.80 22.5 22.5 10.040 46.390 39.991 64.8 344.3 25.2 320 1334 C 4 H 6 A 0.400 36.400 20 188.9 -10.3 1.357E-03 3322568734.34375 164.80 24.1 24.1 10.040 46.440 40.034 62.6 346.0 27.4 320 1334 C 4 H 6 A 0.450 36.450 20 184.5 -8.8 1.134E-03 3322568739.67187 164.80 19.7 19.7 10.040 46.490 40.078 66.8 349.7 23.3 320 1334 C 4 H 6 A 0.500 36.500 20 186.2 -6.6 1.225E-03 3322568744.98437 164.80 21.4 21.4 10.040 46.540 40.121 65.8 345.2 24.2 320 1334 C 4 H 6 A 0.550 36.550 20 184.0 5.9 1.791E-03 3322568750.31250 164.80 19.2 19.2 10.040 46.590 40.164 70.2 331.7 19.8 320 1334 C 4 H 6 A 0.600 36.600 20 173.6 8.7 2.401E-03 3322568755.64062 164.80 8.8 8.8 10.040 46.640 40.207 80.5 340.0 9.5 320 1334 C 4 H 6 A 0.650 36.650 20 175.1 6.6 2.755E-03 3322568760.96875 164.80 10.3 10.3 10.040 46.690 40.250 78.7 342.0 11.3 320 1334 C 4 H 6 A 0.700 36.700 20 188.0 5.2 1.248E-03 3322568766.29687 164.80 23.2 23.2 10.040 46.740 40.293 66.3 329.9 23.7 320 1334 C 4 H 6 A 0.750 36.750 20 202.4 -7.6 5.679E-04 3322568771.60937 164.80 37.6 37.6 10.040 46.790 40.336 50.7 334.2 39.3 320 1334 C 4 H 6 A 0.800 36.800 20 344.8 -13.0 3.705E-04 3322568776.93750 164.80 180.0 180.0 10.040 46.840 40.379 -88.6 228.0 178.6 320 1334 C 4 H 6 A 0.850 36.850 20 356.8 -4.4 1.220E-03 3322568782.26562 164.80 192.0 192.0 10.040 46.890 40.422 -76.7 163.3 166.7 320 1334 C 4 H 6 A 0.900 36.900 20 1.5 -5.8 1.221E-03 3322568787.59375 164.80 196.7 196.7 10.040 46.940 40.466 -72.6 154.1 162.6 320 1334 C 4 H 6 A 0.950 36.950 20 5.1 -8.3 8.802E-04 3322568792.92187 164.80 200.3 200.3 10.040 46.990 40.509 -69.5 147.6 159.5 320 1334 C 4 H 6 A 1.000 37.000 20 3.5 -14.4 7.935E-04 3322568798.25000 164.80 198.7 198.7 10.040 47.040 40.552 -71.5 138.9 161.5 320 1334 C 4 H 6 A 1.050 37.050 20 0.4 -16.8 1.336E-03 3322568803.57812 164.80 195.6 195.6 10.040 47.090 40.595 -74.6 134.7 164.6 320 1334 C 4 H 6 A 1.100 37.100 20 0.8 -12.2 2.025E-03 3322568808.89062 164.80 196.0 196.0 10.040 47.140 40.638 -74.0 143.6 164.0 320 1334 C 4 H 6 A 1.150 37.150 20 358.5 -12.8 1.919E-03 3322568814.21875 164.80 193.7 193.7 10.040 47.190 40.681 -76.3 143.5 166.3 320 1334 C 4 H 6 A 1.200 37.200 20 357.8 -10.7 1.862E-03 3322568819.54687 164.80 193.0 193.0 10.040 47.240 40.724 -76.8 148.6 166.8 320 1334 C 4 H 6 A 1.250 37.250 20 350.1 -12.0 1.434E-03 3322568824.87500 164.80 185.3 185.3 10.040 47.290 40.767 -84.4 157.9 174.4 320 1334 C 4 H 6 A 1.300 37.300 20 355.8 -20.1 1.350E-03 3322568830.18750 164.80 191.0 191.0 10.040 47.340 40.810 -78.9 124.9 168.9 320 1334 C 4 H 6 A 1.350 37.350 20 5.1 -19.1 1.923E-03 3322568835.51562 164.80 200.3 200.3 10.040 47.390 40.853 -69.9 131.3 159.9 320 1334 C 4 H 6 A 1.400 37.400 20 357.5 -13.1 2.376E-03 3322568840.84375 164.80 192.7 192.7 10.040 47.440 40.897 -77.3 143.4 167.3 320 1334 C 4 H 7 A 0.100 37.600 20 353.9 -1.5 1.775E-03 3322569438.67187 164.80 189.1 189.1 10.040 47.640 41.069 -78.4 176.2 168.4 320 1334 C 4 H 7 A 0.150 37.650 20 354.4 -3.8 1.467E-03 3322569444.00000 164.80 189.6 189.6 10.040 47.690 41.112 -78.7 170.1 168.7 320 1334 C 4 H 7 A 0.200 37.700 20 359.3 -5.7 1.824E-03 3322569449.32812 164.80 194.5 194.5 10.040 47.740 41.155 -74.7 156.8 164.7 320 1334 C 4 H 7 A 0.250 37.750 20 356.7 -12.8 1.824E-03 3322569454.67187 164.80 191.9 191.9 10.040 47.790 41.198 -78.1 144.6 168.1 320 1334 C 4 H 7 A 0.300 37.800 20 335.5 -38.5 8.316E-04 3322569460.00000 164.80 170.7 170.7 10.040 47.840 41.241 -73.6 15.8 163.6 320 1334 C 4 H 7 A 0.350 37.850 20 204.8 -47.4 5.943E-04 3322569465.32812 164.80 40.0 40.0 10.040 47.890 41.284 36.9 3.1 53.1 320 1334 C 4 H 7 A 0.400 37.900 20 187.1 -10.6 1.334E-03 3322569470.65625 164.80 22.3 22.3 10.040 47.940 41.328 64.1 348.3 25.9 320 1334 C 4 H 7 A 0.450 37.950 20 185.6 3.7 2.227E-03 3322569475.96875 164.80 20.8 20.8 10.040 47.990 41.371 68.4 333.5 21.6 320 1334 C 4 H 7 A 0.500 38.000 20 184.4 3.1 2.251E-03 3322569481.29687 164.80 19.6 19.6 10.040 48.040 41.414 69.4 335.3 20.6 320 1334 C 5 H 1 A 0.500 38.500 20 265.3 2.6 2.078E-03 3322570428.20312 258.00 7.3 7.3 10.110 48.610 41.905 80.1 0.3 9.9 320 1334 C 5 H 1 A 0.550 38.550 20 257.4 9.7 2.218E-03 3322570433.51562 258.00 359.4 -0.6 10.110 48.660 41.948 86.8 58.9 3.2 320 1334 C 5 H 1 A 0.600 38.600 20 254.8 9.9 2.069E-03 3322570438.84375 258.00 356.8 -3.2 10.110 48.710 41.991 85.6 94.8 4.4 320 1334 C 5 H 1 A 0.650 38.650 20 256.4 12.6 1.657E-03 3322570444.17187 258.00 358.4 -1.6 10.110 48.760 42.034 87.7 92.5 2.3 320 1334 C 5 H 1 A 0.700 38.700 20 253.6 13.4 1.478E-03 3322570449.50000 258.00 355.6 -4.4 10.110 48.810 42.078 85.5 122.9 4.5 320 1334 C 5 H 1 A 0.750 38.750 20 255.9 14.3 1.111E-03 3322570454.82812 258.00 357.9 -2.1 10.110 48.860 42.121 87.8 118.7 2.2 320 1334 C 5 H 1 A 0.800 38.800 20 244.6 19.5 4.577E-04 3322570460.14062 258.00 346.6 -13.4 10.110 48.910 42.164 76.6 147.8 13.4 320 1334 C 5 H 1 A 0.850 38.850 20 276.4 -11.5 4.596E-04 3322570465.46875 258.00 18.4 18.4 10.110 48.960 42.207 67.0 354.4 23.0 320 1334 C 5 H 1 A 0.900 38.900 20 270.3 7.4 7.767E-04 3322570470.79687 258.00 12.3 12.3 10.110 49.010 42.250 77.0 336.6 13.0 320 1334 C 5 H 1 A 0.950 38.950 20 245.0 7.1 4.735E-04 3322570476.12500 258.00 347.0 -13.0 10.110 49.060 42.293 76.3 119.8 13.7 320 1334 C 5 H 1 A 1.000 39.000 20 265.1 -26.2 2.769E-04 3322570481.45312 258.00 7.1 7.1 10.110 49.110 42.336 67.1 30.1 22.9 320 1334 C 5 H 1 A 1.050 39.050 20 281.5 -30.2 4.884E-04 3322570486.78125 258.00 23.5 23.5 10.110 49.160 42.379 56.4 4.2 33.6 320 1334 C 5 H 1 A 1.100 39.100 20 265.0 -12.1 9.362E-04 3322570492.09375 258.00 7.0 7.0 10.110 49.210 42.422 74.3 21.5 15.8 320 1334 C 5 H 1 A 1.150 39.150 20 260.5 -7.8 1.197E-03 3322570497.42187 258.00 2.5 2.5 10.110 49.260 42.466 77.8 36.1 12.2 320 1334 C 5 H 1 A 1.200 39.200 20 271.4 -15.1 6.752E-04 3322570502.75000 258.00 13.4 13.4 10.110 49.310 42.509 69.4 7.3 20.6 320 1334 C 5 H 1 A 1.250 39.250 20 272.1 -14.1 1.179E-03 3322570508.07812 258.00 14.1 14.1 10.110 49.360 42.552 69.3 4.8 20.7 320 1334 C 5 H 1 A 1.300 39.300 20 260.6 2.5 2.032E-03 3322570513.40625 258.00 2.6 2.6 10.110 49.410 42.595 82.8 26.9 7.2 320 1334 C 5 H 1 A 1.350 39.350 20 258.7 0.3 1.846E-03 3322570518.71875 258.00 0.7 0.7 10.110 49.460 42.638 82.1 42.9 7.9 320 1334 C 5 H 2 A 0.100 39.600 20 264.3 -5.3 2.185E-03 3322571210.23437 258.00 6.3 6.3 10.110 49.710 42.853 77.6 17.3 12.4 320 1334 C 5 H 2 A 0.150 39.650 20 260.5 -6.5 1.714E-03 3322571215.56250 258.00 2.5 2.5 10.110 49.760 42.897 78.5 35.5 11.5 320 1334 C 5 H 2 A 0.200 39.700 20 260.1 -6.9 1.612E-03 3322571220.87500 258.00 2.1 2.1 10.110 49.810 42.940 78.4 37.6 11.7 320 1334 C 5 H 2 A 0.250 39.750 20 260.0 -5.0 1.697E-03 3322571226.20312 258.00 2.0 2.0 10.110 49.860 42.983 79.3 37.2 10.7 320 1334 C 5 H 2 A 0.300 39.800 20 257.6 -2.5 2.129E-03 3322571231.53125 258.00 359.6 -0.4 10.110 49.910 43.026 80.7 50.5 9.3 320 1334 C 5 H 2 A 0.350 39.850 20 258.1 -0.2 3.173E-03 3322571236.85937 258.00 0.1 0.1 10.110 49.960 43.069 81.9 47.3 8.1 320 1334 C 5 H 2 A 0.400 39.900 20 256.9 -0.5 2.906E-03 3322571242.17187 258.00 358.9 -1.1 10.110 50.010 43.112 81.7 55.7 8.3 320 1334 C 5 H 2 A 0.450 39.950 20 255.0 -1.2 2.049E-03 3322571247.50000 258.00 357.0 -3.0 10.110 50.060 43.155 80.9 67.3 9.1 320 1334 C 5 H 2 A 0.500 40.000 20 257.2 -2.8 1.451E-03 3322571252.82812 258.00 359.2 -0.8 10.110 50.110 43.198 80.6 52.9 9.4 320 1334 C 5 H 2 A 0.550 40.050 20 258.1 0.0 1.556E-03 3322571258.15625 258.00 0.1 0.1 10.110 50.160 43.241 82.0 47.3 8.0 320 1334 C 5 H 2 A 0.600 40.100 20 254.8 4.2 2.121E-03 3322571263.48437 258.00 356.8 -3.2 10.110 50.210 43.284 83.3 76.6 6.7 320 1334 C 5 H 2 A 0.650 40.150 20 255.1 6.0 2.348E-03 3322571268.79687 258.00 357.1 -2.9 10.110 50.260 43.328 84.2 78.2 5.8 320 1334 C 5 H 2 A 0.700 40.200 20 258.6 3.8 2.348E-03 3322571274.12500 258.00 0.6 0.6 10.110 50.310 43.371 83.9 42.4 6.1 320 1334 C 5 H 2 A 0.750 40.250 20 257.0 1.3 2.232E-03 3322571279.45312 258.00 359.0 -1.0 10.110 50.360 43.414 82.6 55.8 7.4 320 1334 C 5 H 2 A 0.800 40.300 20 258.4 0.2 1.698E-03 3322571284.78125 258.00 0.4 0.4 10.110 50.410 43.457 82.1 45.1 7.9 320 1334 C 5 H 2 A 0.850 40.350 20 258.8 -3.9 1.457E-03 3322571290.10937 258.00 0.8 0.8 10.110 50.460 43.500 80.0 43.4 10.0 320 1334 C 5 H 2 A 0.900 40.400 20 252.2 -10.9 5.712E-04 3322571295.42187 258.00 354.2 -5.8 10.110 50.510 43.543 75.3 71.4 14.7 320 1334 C 5 H 2 A 0.950 40.450 20 258.5 -3.3 1.047E-03 3322571300.75000 258.00 0.5 0.5 10.110 50.560 43.586 80.3 45.1 9.7 320 1334 C 5 H 2 A 1.000 40.500 20 261.0 -0.7 1.516E-03 3322571306.07812 258.00 3.0 3.0 10.110 50.610 43.629 81.1 28.2 8.9 320 1334 C 5 H 2 A 1.050 40.550 20 260.8 0.4 1.471E-03 3322571311.40625 258.00 2.8 2.8 10.110 50.660 43.672 81.7 28.2 8.3 320 1334 C 5 H 2 A 1.100 40.600 20 254.9 2.0 1.422E-03 3322571316.73437 258.00 356.9 -3.1 10.110 50.710 43.716 82.4 72.0 7.7 320 1334 C 5 H 2 A 1.150 40.650 20 256.0 0.9 1.534E-03 3322571322.04687 258.00 358.0 -2.0 10.110 50.760 43.759 82.2 62.9 7.8 320 1334 C 5 H 2 A 1.200 40.700 20 258.6 -0.9 1.384E-03 3322571327.37500 258.00 0.6 0.6 10.110 50.810 43.802 81.5 44.0 8.5 320 1334 C 5 H 2 A 1.250 40.750 20 258.0 -0.6 1.391E-03 3322571332.70312 258.00 0.0 0.0 10.110 50.860 43.845 81.7 48.0 8.3 320 1334 C 5 H 2 A 1.300 40.800 20 260.4 1.4 2.536E-03 3322571338.03125 258.00 2.4 2.4 10.110 50.910 43.888 82.3 29.8 7.7 320 1334 C 5 H 2 A 1.350 40.850 20 253.7 4.1 1.565E-03 3322571343.35937 258.00 355.7 -4.3 10.110 50.960 43.931 82.7 84.0 7.3 320 1334 C 5 H 2 A 1.400 40.900 20 256.2 5.3 1.191E-03 3322571348.67187 258.00 358.2 -1.8 10.110 51.010 43.974 84.4 66.7 5.6 320 1334 C 5 H 3 A 0.100 41.100 20 250.1 0.2 8.199E-04 3322573102.35937 258.00 352.1 -7.9 10.110 51.210 44.147 78.9 93.3 11.2 320 1334 C 5 H 3 A 0.150 41.150 20 251.9 -0.8 6.303E-04 3322573107.68750 258.00 353.9 -6.1 10.110 51.260 44.190 79.6 84.2 10.4 320 1334 C 5 H 3 A 0.200 41.200 20 250.0 -2.6 6.809E-04 3322573113.01562 258.00 352.0 -8.0 10.110 51.310 44.233 77.8 89.0 12.3 320 1334 C 5 H 3 A 0.250 41.250 20 252.6 -2.8 7.640E-04 3322573118.34375 258.00 354.6 -5.4 10.110 51.360 44.276 79.2 78.1 10.8 320 1334 C 5 H 3 A 0.300 41.300 20 250.4 -0.9 7.387E-04 3322573123.67187 258.00 352.4 -7.6 10.110 51.410 44.319 78.7 90.3 11.4 320 1334 C 5 H 3 A 0.350 41.350 20 249.6 4.6 6.085E-04 3322573128.98437 258.00 351.6 -8.4 10.110 51.460 44.362 79.9 104.2 10.1 320 1334 C 5 H 3 A 0.400 41.400 20 250.7 8.4 4.674E-04 3322573134.31250 258.00 352.7 -7.3 10.110 51.510 44.405 81.8 111.0 8.2 320 1334 C 5 H 3 A 0.450 41.450 20 238.8 13.3 2.956E-04 3322573139.64062 258.00 340.8 -19.2 10.110 51.560 44.448 70.9 135.5 19.1 320 1334 C 5 H 3 A 0.500 41.500 20 231.2 19.4 2.866E-04 3322573144.96875 258.00 333.2 -26.8 10.110 51.610 44.491 63.5 144.4 26.5 320 1334 C 5 H 3 A 0.550 41.550 20 239.8 16.3 6.426E-04 3322573150.28125 258.00 341.8 -18.2 10.110 51.660 44.534 72.0 140.3 18.0 320 1334 C 5 H 3 A 0.600 41.600 20 247.9 21.1 1.183E-03 3322573155.60937 258.00 349.9 -10.1 10.110 51.710 44.578 79.6 155.2 10.4 320 1334 C 5 H 3 A 0.650 41.650 20 252.5 11.2 1.342E-03 3322573160.93750 258.00 354.5 -5.5 10.110 51.760 44.621 84.1 115.1 5.9 320 1334 C 5 H 3 A 0.700 41.700 20 252.3 11.3 1.357E-03 3322573166.26562 258.00 354.3 -5.7 10.110 51.810 44.664 83.9 116.3 6.1 320 1334 C 5 H 3 A 0.750 41.750 20 251.4 13.1 1.148E-03 3322573171.57812 258.00 353.4 -6.6 10.110 51.860 44.707 83.3 126.7 6.7 320 1334 C 5 H 3 A 0.800 41.800 20 246.3 16.1 6.668E-04 3322573176.90625 258.00 348.3 -11.7 10.110 51.910 44.750 78.4 139.9 11.6 320 1334 C 5 H 3 A 0.850 41.850 20 237.9 11.0 5.193E-04 3322573182.23437 258.00 339.9 -20.1 10.110 51.960 44.793 69.9 132.3 20.1 320 1334 C 5 H 3 A 0.900 41.900 20 242.4 5.9 5.099E-04 3322573187.56250 258.00 344.4 -15.6 10.110 52.010 44.836 73.7 120.9 16.3 320 1334 C 5 H 3 A 0.950 41.950 20 248.4 10.7 5.791E-04 3322573192.89062 258.00 350.4 -9.6 10.110 52.060 44.879 80.1 123.4 9.9 320 1334 C 5 H 3 A 1.000 42.000 20 256.5 17.5 7.635E-04 3322573198.21875 258.00 358.5 -1.5 10.110 52.110 44.922 88.2 171.0 1.8 320 1334 C 5 H 3 A 1.050 42.050 20 262.4 25.6 6.401E-04 3322573203.54687 258.00 4.4 4.4 10.110 52.160 44.966 83.0 266.0 7.0 320 1334 C 5 H 3 A 1.100 42.100 20 255.1 23.0 7.024E-04 3322573208.85937 258.00 357.1 -2.9 10.110 52.210 45.009 85.1 192.6 4.9 320 1334 C 5 H 3 A 1.150 42.150 20 253.2 19.7 8.033E-04 3322573214.18750 258.00 355.2 -4.8 10.110 52.260 45.052 84.8 162.8 5.2 320 1334 C 5 H 3 A 1.200 42.200 20 251.5 15.6 8.504E-04 3322573219.51562 258.00 353.5 -6.5 10.110 52.310 45.095 83.6 138.0 6.4 320 1334 C 5 H 3 A 1.250 42.250 20 250.5 8.9 9.591E-04 3322573224.84375 258.00 352.5 -7.5 10.110 52.360 45.138 81.8 113.2 8.2 320 1334 C 5 H 3 A 1.300 42.300 20 249.8 3.5 1.029E-03 3322573230.15625 258.00 351.8 -8.2 10.110 52.410 45.181 79.7 101.0 10.3 320 1334 C 5 H 3 A 1.350 42.350 20 251.6 3.2 1.088E-03 3322573235.48437 258.00 353.6 -6.4 10.110 52.460 45.224 81.0 93.2 9.0 320 1334 C 5 H 3 A 1.400 42.400 20 254.5 4.4 1.105E-03 3322573240.81250 258.00 356.5 -3.5 10.110 52.510 45.267 83.2 79.2 6.8 320 1334 C 5 H 4 A 0.100 42.600 20 263.4 -3.5 4.276E-04 3322575701.06250 258.00 5.4 5.4 10.110 52.710 45.440 78.9 18.9 11.1 320 1334 C 5 H 4 A 0.150 42.650 20 271.8 3.8 3.823E-04 3322575706.39062 258.00 13.8 13.8 10.110 52.760 45.483 75.0 341.2 15.0 320 1334 C 5 H 4 A 0.200 42.700 20 270.1 1.3 6.002E-04 3322575711.71875 258.00 12.1 12.1 10.110 52.810 45.526 75.9 348.8 14.1 320 1334 C 5 H 4 A 0.250 42.750 20 263.1 -3.3 7.570E-04 3322575717.03125 258.00 5.1 5.1 10.110 52.860 45.569 79.1 20.0 10.9 320 1334 C 5 H 4 A 0.300 42.800 20 260.3 -2.2 1.173E-03 3322575722.35937 258.00 2.3 2.3 10.110 52.910 45.612 80.6 33.8 9.4 320 1334 C 5 H 4 A 0.350 42.850 20 260.7 1.4 1.455E-03 3322575727.68750 258.00 2.7 2.7 10.110 52.960 45.655 82.2 27.7 7.8 320 1334 C 5 H 4 A 0.400 42.900 20 260.9 3.8 1.718E-03 3322575733.01562 258.00 2.9 2.9 10.110 53.010 45.698 83.3 22.5 6.8 320 1334 C 5 H 4 A 0.450 42.950 20 261.0 4.3 1.647E-03 3322575738.34375 258.00 3.0 3.0 10.110 53.060 45.741 83.4 20.8 6.6 320 1334 C 5 H 4 A 0.500 43.000 20 260.2 2.5 1.410E-03 3322575743.65625 258.00 2.2 2.2 10.110 53.110 45.784 82.9 29.9 7.1 320 1334 C 5 H 4 A 0.550 43.050 20 256.7 1.6 1.137E-03 3322575748.98437 258.00 358.7 -1.3 10.110 53.160 45.828 82.7 58.3 7.3 320 1334 C 5 H 4 A 0.600 43.100 20 253.8 1.4 1.126E-03 3322575754.31250 258.00 355.8 -4.2 10.110 53.210 45.871 81.6 78.1 8.4 320 1334 C 5 H 4 A 0.650 43.150 20 253.9 2.1 9.373E-04 3322575759.64062 258.00 355.9 -4.1 10.110 53.260 45.914 81.9 78.7 8.1 320 1334 C 5 H 4 A 0.700 43.200 20 255.7 4.9 5.607E-04 3322575764.96875 258.00 357.7 -2.3 10.110 53.310 45.957 84.0 70.6 6.0 320 1334 C 5 H 4 A 0.750 43.250 20 258.4 5.4 2.755E-04 3322575770.29687 258.00 0.4 0.4 10.110 53.360 46.000 84.7 43.7 5.3 320 1334 C 5 H 4 A 0.800 43.300 20 257.6 3.1 2.465E-04 3322575775.62500 258.00 359.6 -0.4 10.110 53.410 46.043 83.5 51.6 6.5 320 1334 C 5 H 4 A 0.850 43.350 20 246.6 1.3 2.653E-04 3322575780.93750 258.00 348.6 -11.4 10.110 53.460 46.086 76.5 105.7 13.5 320 1334 C 5 H 4 A 0.900 43.400 20 254.8 -6.5 2.219E-04 3322575786.26562 258.00 356.8 -3.2 10.110 53.510 46.129 78.3 64.0 11.7 320 1334 C 5 H 4 A 0.950 43.450 20 255.0 -13.3 1.475E-04 3322575791.59375 258.00 357.0 -3.0 10.110 53.560 46.172 75.0 59.6 15.0 320 1334 C 5 H 4 A 1.000 43.500 20 257.3 -7.0 1.747E-04 3322575796.90625 258.00 359.3 -0.7 10.110 53.610 46.216 78.5 51.5 11.5 320 1334 C 5 H 4 A 1.050 43.550 20 250.3 0.1 2.965E-04 3322575802.23437 258.00 352.3 -7.7 10.110 53.660 46.259 79.0 92.4 11.1 320 1334 C 5 H 4 A 1.100 43.600 20 251.7 -1.6 3.163E-04 3322575807.56250 258.00 353.7 -6.3 10.110 53.710 46.302 79.2 83.8 10.8 320 1334 C 5 H 4 A 1.150 43.650 20 258.5 -6.8 3.038E-04 3322575812.89062 258.00 0.5 0.5 10.110 53.760 46.345 78.6 45.5 11.4 320 1334 C 5 H 4 A 1.200 43.700 20 267.3 -2.3 2.838E-04 3322575818.21875 258.00 9.3 9.3 10.110 53.810 46.388 77.0 2.2 13.0 320 1334 C 5 H 4 A 1.250 43.750 20 262.9 1.0 3.324E-04 3322575823.54687 258.00 4.9 4.9 10.110 53.860 46.431 81.1 14.7 9.0 320 1334 C 5 H 4 A 1.300 43.800 20 244.8 1.5 3.002E-04 3322575828.87500 258.00 346.8 -13.2 10.110 53.910 46.474 75.0 109.8 15.0 320 1334 C 5 H 4 A 1.350 43.850 20 249.7 2.5 3.277E-04 3322575834.20312 258.00 351.7 -8.3 10.110 53.960 46.517 79.3 99.2 10.7 320 1334 C 5 H 4 A 1.400 43.900 20 261.5 3.5 3.771E-04 3322575839.51562 258.00 3.5 3.5 10.110 54.010 46.560 82.9 18.7 7.2 320 1334 C 5 H 5 A 0.100 44.100 20 279.9 20.3 1.944E-04 3322576530.14062 258.00 21.9 21.9 10.110 54.210 46.733 68.3 309.8 21.8 320 1334 C 5 H 5 A 0.150 44.150 20 269.3 9.2 5.361E-04 3322576535.45312 258.00 11.3 11.3 10.110 54.260 46.776 78.3 334.1 11.7 320 1334 C 5 H 5 A 0.200 44.200 20 263.2 5.6 1.120E-03 3322576540.78125 258.00 5.2 5.2 10.110 54.310 46.819 82.7 2.8 7.3 320 1334 C 5 H 5 A 0.250 44.250 20 259.3 5.8 1.124E-03 3322576546.10937 258.00 1.3 1.3 10.110 54.360 46.862 84.8 33.7 5.3 320 1334 C 5 H 5 A 0.300 44.300 20 258.8 6.1 1.004E-03 3322576551.43750 258.00 0.8 0.8 10.110 54.410 46.905 85.0 38.8 5.0 320 1334 C 5 H 5 A 0.350 44.350 20 256.2 7.4 7.071E-04 3322576556.76562 258.00 358.2 -1.8 10.110 54.460 46.948 85.4 70.8 4.6 320 1334 C 5 H 5 A 0.400 44.400 20 256.9 8.2 5.762E-04 3322576562.09375 258.00 358.9 -1.1 10.110 54.510 46.991 86.0 63.8 4.0 320 1334 C 5 H 5 A 0.450 44.450 20 250.7 12.3 4.737E-04 3322576567.42187 258.00 352.7 -7.3 10.110 54.560 47.034 82.5 124.7 7.5 320 1334 C 5 H 5 A 0.500 44.500 20 257.0 13.1 4.357E-04 3322576572.73437 258.00 359.0 -1.0 10.110 54.610 47.078 88.3 84.1 1.7 320 1334 C 5 H 5 A 0.550 44.550 20 264.1 8.0 3.633E-04 3322576578.06250 258.00 6.1 6.1 10.110 54.660 47.121 82.8 351.0 7.3 320 1334 C 5 H 5 A 0.600 44.600 20 260.9 5.0 3.181E-04 3322576583.39062 258.00 2.9 2.9 10.110 54.710 47.164 83.8 20.2 6.2 320 1334 C 5 H 5 A 0.650 44.650 20 263.0 0.8 2.817E-04 3322576588.71875 258.00 5.0 5.0 10.110 54.760 47.207 80.9 14.5 9.1 320 1334 C 5 H 5 A 0.700 44.700 20 259.8 -3.7 3.080E-04 3322576594.04687 258.00 1.8 1.8 10.110 54.810 47.250 80.0 37.6 10.0 320 1334 C 5 H 5 A 0.750 44.750 20 264.1 -5.1 3.560E-04 3322576599.35937 258.00 6.1 6.1 10.110 54.860 47.293 77.8 17.8 12.2 320 1334 C 5 H 5 A 0.800 44.800 20 261.4 -3.4 3.893E-04 3322576604.68750 258.00 3.4 3.4 10.110 54.910 47.336 79.7 28.6 10.3 320 1334 C 5 H 5 A 0.850 44.850 20 257.4 1.0 4.138E-04 3322576610.01562 258.00 359.4 -0.6 10.110 54.960 47.379 82.5 52.6 7.5 320 1334 C 5 H 5 A 0.900 44.900 20 258.2 0.5 3.834E-04 3322576615.32812 258.00 0.2 0.2 10.110 55.010 47.422 82.3 46.5 7.8 320 1334 C 5 H 5 A 0.950 44.950 20 264.5 -2.2 2.956E-04 3322576620.65625 258.00 6.5 6.5 10.110 55.060 47.466 78.8 12.3 11.2 320 1334 C 5 H 5 A 1.000 45.000 20 266.0 0.7 2.842E-04 3322576625.98437 258.00 8.0 8.0 10.110 55.110 47.509 79.0 1.5 11.1 320 1334 C 5 H 5 A 1.050 45.050 20 263.8 2.5 3.466E-04 3322576631.31250 258.00 5.8 5.8 10.110 55.160 47.552 81.1 7.2 8.9 320 1334 C 5 H 5 A 1.100 45.100 20 258.0 3.6 4.986E-04 3322576636.64062 258.00 0.0 0.0 10.110 55.210 47.595 83.8 48.0 6.2 320 1334 C 5 H 5 A 1.150 45.150 20 260.5 1.6 6.222E-04 3322576641.96875 258.00 2.5 2.5 10.110 55.260 47.638 82.4 28.8 7.6 320 1334 C 5 H 5 A 1.200 45.200 20 260.2 1.4 4.359E-04 3322576647.28125 258.00 2.2 2.2 10.110 55.310 47.681 82.4 31.2 7.6 320 1334 C 5 H 5 A 1.250 45.250 20 254.9 -2.2 2.924E-04 3322576652.60937 258.00 356.9 -3.1 10.110 55.360 47.724 80.4 66.9 9.6 320 1334 C 5 H 5 A 1.300 45.300 20 261.3 -4.5 3.939E-04 3322576657.93750 258.00 3.3 3.3 10.110 55.410 47.767 79.2 30.1 10.8 320 1334 C 5 H 5 A 1.350 45.350 20 259.3 -5.8 3.522E-04 3322576663.26562 258.00 1.3 1.3 10.110 55.460 47.810 79.0 41.2 11.0 320 1334 C 5 H 5 A 1.400 45.400 20 243.5 -4.2 2.653E-04 3322576668.59375 258.00 345.5 -14.5 10.110 55.510 47.853 72.4 103.7 17.6 320 1334 C 5 H 6 A 0.100 45.600 20 264.3 8.1 4.667E-04 3322577537.85937 258.00 6.3 6.3 10.110 55.710 48.026 82.6 349.8 7.4 320 1334 C 5 H 6 A 0.150 45.650 20 265.4 4.3 4.754E-04 3322577543.18750 258.00 7.4 7.4 10.110 55.760 48.069 80.6 356.1 9.4 320 1334 C 5 H 6 A 0.200 45.700 20 262.5 2.4 3.787E-04 3322577548.50000 258.00 4.5 4.5 10.110 55.810 48.112 81.9 14.4 8.1 320 1334 C 5 H 6 A 0.250 45.750 20 265.0 3.1 4.126E-04 3322577553.82812 258.00 7.0 7.0 10.110 55.860 48.155 80.5 0.4 9.5 320 1334 C 5 H 6 A 0.300 45.800 20 260.9 4.9 4.813E-04 3322577559.15625 258.00 2.9 2.9 10.110 55.910 48.198 83.8 20.4 6.3 320 1334 C 5 H 6 A 0.350 45.850 20 259.5 3.7 4.890E-04 3322577564.48437 258.00 1.5 1.5 10.110 55.960 48.241 83.7 34.3 6.3 320 1334 C 5 H 6 A 0.400 45.900 20 263.5 4.5 3.814E-04 3322577569.81250 258.00 5.5 5.5 10.110 56.010 48.284 82.1 4.1 7.9 320 1334 C 5 H 6 A 0.450 45.950 20 278.0 5.6 2.195E-04 3322577575.12500 258.00 20.0 20.0 10.110 56.060 48.328 69.4 331.6 20.6 320 1334 C 5 H 6 A 0.500 46.000 20 275.7 5.7 1.269E-04 3322577580.45312 258.00 17.7 17.7 10.110 56.110 48.371 71.7 333.3 18.4 320 1334 C 5 H 6 A 0.550 46.050 20 277.8 2.2 1.013E-04 3322577585.78125 258.00 19.8 19.8 10.110 56.160 48.414 69.1 336.3 20.9 320 1334 C 5 H 6 A 0.600 46.100 20 270.3 3.6 1.736E-04 3322577591.10937 258.00 12.3 12.3 10.110 56.210 48.457 76.3 344.2 13.7 320 1334 C 5 H 6 A 0.650 46.150 20 266.4 2.5 3.711E-04 3322577596.42187 258.00 8.4 8.4 10.110 56.260 48.500 79.3 356.5 10.8 320 1334 C 5 H 6 A 0.700 46.200 20 265.2 -0.9 1.211E-03 3322577601.75000 258.00 7.2 7.2 10.110 56.310 48.543 78.9 7.4 11.1 320 1334 C 5 H 6 A 0.750 46.250 20 263.5 -0.4 9.349E-04 3322577607.07812 258.00 5.5 5.5 10.110 56.360 48.586 80.1 14.0 9.9 320 1334 C 5 H 6 A 0.800 46.300 20 261.5 5.6 7.105E-04 3322577612.40625 258.00 3.5 3.5 10.110 56.410 48.629 83.8 14.0 6.3 320 1334 C 5 H 6 A 0.850 46.350 20 260.0 7.5 1.024E-03 3322577617.73437 258.00 2.0 2.0 10.110 56.460 48.672 85.3 22.8 4.7 320 1334 C 5 H 6 A 0.900 46.400 20 262.3 4.6 2.125E-03 3322577623.04687 258.00 4.3 4.3 10.110 56.510 48.716 82.9 10.9 7.1 320 1334 C 5 H 6 A 0.950 46.450 20 259.9 5.5 1.859E-03 3322577628.37500 258.00 1.9 1.9 10.110 56.560 48.759 84.4 28.1 5.6 320 1334 C 5 H 6 A 1.000 46.500 20 248.4 16.4 6.423E-04 3322577633.70312 258.00 350.4 -9.6 10.110 56.610 48.802 80.5 141.0 9.5 320 1334 C 5 H 6 A 1.050 46.550 20 249.0 13.9 7.573E-04 3322577639.03125 258.00 351.0 -9.0 10.110 56.660 48.845 81.0 132.6 9.0 320 1334 C 5 H 6 A 1.100 46.600 20 249.1 14.7 7.942E-04 3322577644.35937 258.00 351.1 -8.9 10.110 56.710 48.888 81.2 135.2 8.8 320 1334 C 5 H 6 A 1.150 46.650 20 253.8 13.0 8.235E-04 3322577649.67187 258.00 355.8 -4.2 10.110 56.760 48.931 85.6 119.5 4.4 320 1334 C 5 H 6 A 1.200 46.700 20 257.0 9.5 7.340E-04 3322577655.00000 258.00 359.0 -1.0 10.110 56.810 48.974 86.6 65.3 3.4 320 1334 C 5 H 6 A 1.250 46.750 20 258.9 5.9 5.531E-04 3322577660.32812 258.00 0.9 0.9 10.110 56.860 49.017 84.9 37.9 5.1 320 1334 C 5 H 6 A 1.300 46.800 20 256.2 2.2 3.967E-04 3322577665.65625 258.00 358.2 -1.8 10.110 56.910 49.060 82.9 62.7 7.1 320 1334 C 5 H 6 A 1.350 46.850 20 253.7 6.1 4.264E-04 3322577670.98437 258.00 355.7 -4.3 10.110 56.960 49.103 83.5 89.2 6.5 320 1334 C 5 H 6 A 1.400 46.900 20 256.3 7.0 4.503E-04 3322577676.29687 258.00 358.3 -1.7 10.110 57.010 49.147 85.2 68.8 4.8 320 1334 C 5 H 7 A 0.100 47.100 20 260.9 6.5 3.884E-04 3322578976.23437 258.00 2.9 2.9 10.110 57.210 49.319 84.5 16.5 5.6 320 1334 C 5 H 7 A 0.150 47.150 20 262.0 3.4 4.325E-04 3322578981.56250 258.00 4.0 4.0 10.110 57.260 49.362 82.6 15.5 7.5 320 1334 C 5 H 7 A 0.200 47.200 20 261.9 2.1 4.812E-04 3322578986.89062 258.00 3.9 3.9 10.110 57.310 49.405 82.0 18.6 8.0 320 1334 C 5 H 7 A 0.250 47.250 20 262.2 2.5 5.306E-04 3322578992.21875 258.00 4.2 4.2 10.110 57.360 49.448 82.1 16.0 7.9 320 1334 C 5 H 7 A 0.300 47.300 20 258.7 -0.4 4.911E-04 3322578997.54687 258.00 0.7 0.7 10.110 57.410 49.491 81.8 43.1 8.2 320 1334 C 5 H 7 A 0.350 47.350 20 261.7 -7.1 3.812E-04 3322579002.87500 258.00 3.7 3.7 10.110 57.460 49.534 77.9 30.2 12.1 320 1334 C 5 H 7 A 0.400 47.400 20 260.3 -11.0 3.683E-04 3322579008.18750 258.00 2.3 2.3 10.110 57.510 49.578 76.3 38.4 13.7 320 1334 C 5 H 7 A 0.450 47.450 20 258.2 -8.0 4.078E-04 3322579013.51562 258.00 0.2 0.2 10.110 57.560 49.621 78.0 47.1 12.0 320 1334 C 5 H 7 A 0.500 47.500 20 255.4 -0.4 3.611E-04 3322579018.84375 258.00 357.4 -2.6 10.110 57.610 49.664 81.4 65.7 8.6 320 1334 C 5 H 7 A 0.550 47.550 20 246.5 6.4 3.474E-04 3322579024.17187 258.00 348.5 -11.5 10.110 57.660 49.707 77.6 116.0 12.4 320 1334 C 5 H 7 A 0.600 47.600 20 250.8 8.5 4.343E-04 3322579029.50000 258.00 352.8 -7.2 10.110 57.710 49.750 81.9 111.0 8.1 320 1334 C 5 H 7 A 0.650 47.650 20 255.9 8.1 6.618E-04 3322579034.81250 258.00 357.9 -2.1 10.110 57.760 49.793 85.6 76.1 4.5 320 1334 C 5 H 7 A 0.700 47.700 20 257.2 5.8 1.208E-03 3322579040.14062 258.00 359.2 -0.8 10.110 57.810 49.836 84.9 57.0 5.2 320 1334 C 6 H 1 A 0.300 47.800 20 184.2 80.0 6.863E-04 3322580037.95312 355.70 188.5 188.5 12.060 59.860 51.603 -11.2 225.2 101.2 320 1334 C 6 H 1 A 0.350 47.850 20 163.8 11.8 6.627E-04 3322580043.28125 355.70 168.1 168.1 12.060 59.910 51.647 -71.7 268.7 161.7 320 1334 C 6 H 1 A 0.400 47.900 20 172.8 14.0 7.721E-04 3322580048.59375 355.70 177.1 177.1 12.060 59.960 51.690 -74.6 238.9 164.6 320 1334 C 6 H 1 A 0.450 47.950 20 177.0 9.3 6.894E-04 3322580053.92187 355.70 181.3 181.3 12.060 60.010 51.733 -77.3 222.1 167.3 320 1334 C 6 H 1 A 0.500 48.000 20 164.8 8.3 4.143E-04 3322580059.25000 355.70 169.1 169.1 12.060 60.060 51.776 -73.7 270.2 163.7 320 1334 C 6 H 1 A 0.550 48.050 20 156.5 20.1 2.285E-04 3322580064.57812 355.70 160.8 160.8 12.060 60.110 51.819 -63.5 274.5 153.5 320 1334 C 6 H 1 A 0.600 48.100 20 172.5 9.4 2.838E-04 3322580069.90625 355.70 176.8 176.8 12.060 60.160 51.862 -76.9 242.2 166.9 320 1334 C 6 H 1 A 0.650 48.150 20 168.8 -7.4 5.357E-04 3322580075.21875 355.70 173.1 173.1 12.060 60.210 51.905 -81.9 286.4 171.9 320 1334 C 6 H 1 A 0.700 48.200 20 170.0 0.2 1.167E-03 3322580080.54687 355.70 174.3 174.3 12.060 60.260 51.948 -80.1 263.3 170.1 320 1334 C 6 H 1 A 0.750 48.250 20 164.7 -1.0 9.381E-04 3322580085.87500 355.70 169.0 169.0 12.060 60.310 51.991 -76.7 284.2 166.7 320 1334 C 6 H 1 A 0.800 48.300 20 161.7 -3.2 8.320E-04 3322580091.20312 355.70 166.0 166.0 12.060 60.360 52.034 -74.7 294.1 164.7 320 1334 C 6 H 1 A 0.850 48.350 20 164.4 -4.8 9.086E-04 3322580096.53125 355.70 168.7 168.7 12.060 60.410 52.078 -77.4 292.2 167.4 320 1334 C 6 H 1 A 0.900 48.400 20 169.6 -6.1 9.511E-04 3322580101.84375 355.70 173.9 173.9 12.060 60.460 52.121 -82.2 279.2 172.2 320 1334 C 6 H 1 A 0.950 48.450 20 165.3 -8.0 8.315E-04 3322580107.17187 355.70 169.6 169.6 12.060 60.510 52.164 -78.9 297.6 168.9 320 1334 C 6 H 1 A 1.000 48.500 20 158.6 -10.7 5.975E-04 3322580112.50000 355.70 162.9 162.9 12.060 60.560 52.207 -72.8 310.4 162.8 320 1334 C 6 H 1 A 1.050 48.550 20 164.0 -7.8 3.411E-04 3322580117.82812 355.70 168.3 168.3 12.060 60.610 52.250 -77.7 299.4 167.7 320 1334 C 6 H 1 A 1.100 48.600 20 179.5 -18.3 1.836E-04 3322580123.14062 355.70 183.8 183.8 12.060 60.660 52.293 -86.0 117.5 176.0 320 1334 C 6 H 1 A 1.150 48.650 20 178.7 -13.1 2.876E-04 3322580128.46875 355.70 183.0 183.0 12.060 60.710 52.336 -86.7 162.5 176.7 320 1334 C 6 H 1 A 1.200 48.700 20 166.1 -9.4 5.713E-04 3322580133.79687 355.70 170.4 170.4 12.060 60.760 52.379 -79.9 299.7 169.9 320 1334 C 6 H 1 A 1.250 48.750 20 163.1 -8.9 8.716E-04 3322580139.12500 355.70 167.4 167.4 12.060 60.810 52.422 -77.0 303.1 167.0 320 1334 C 6 H 1 A 1.300 48.800 20 163.4 -8.1 1.286E-03 3322580144.45312 355.70 167.7 167.7 12.060 60.860 52.466 -77.2 300.9 167.2 320 1334 C 6 H 1 A 1.350 48.850 20 171.3 -4.4 2.354E-03 3322580149.78125 355.70 175.6 175.6 12.060 60.910 52.509 -82.7 265.3 172.7 320 1334 C 6 H 1 A 1.400 48.900 20 168.6 -5.4 1.919E-03 3322580155.09375 355.70 172.9 172.9 12.060 60.960 52.552 -81.2 281.6 171.2 320 1334 C 6 H 2 A 0.075 49.075 20 162.5 -5.4 2.142E-03 3322592363.25000 355.70 166.8 166.8 12.060 61.135 52.703 -75.8 296.8 165.8 320 1334 C 6 H 2 A 0.100 49.100 20 163.4 -10.2 2.210E-03 3322580978.00000 355.70 167.7 167.7 12.060 61.160 52.724 -77.5 305.6 167.5 320 1334 C 6 H 2 A 0.100 49.100 20 161.9 -10.3 2.235E-03 3322592368.17187 355.70 166.2 166.2 12.060 61.160 52.724 -76.0 307.3 166.0 320 1334 C 6 H 2 A 0.125 49.125 20 166.9 -7.3 3.292E-03 3322592373.10937 355.70 171.2 171.2 12.060 61.185 52.746 -80.2 292.2 170.2 320 1334 C 6 H 2 A 0.150 49.150 20 154.7 -11.6 3.332E-03 3322580983.32812 355.70 159.0 159.0 12.060 61.210 52.767 -69.1 313.5 159.1 320 1334 C 6 H 2 A 0.150 49.150 20 155.3 -9.0 3.155E-03 3322592378.04687 355.70 159.6 159.6 12.060 61.210 52.767 -69.4 309.5 159.4 320 1334 C 6 H 2 A 0.175 49.175 20 164.6 -9.0 3.392E-03 3322592382.98437 355.70 168.9 168.9 12.060 61.235 52.789 -78.4 301.2 168.4 320 1334 C 6 H 2 A 0.200 49.200 20 165.2 -9.1 3.915E-03 3322580988.65625 355.70 169.5 169.5 12.060 61.260 52.810 -79.0 300.5 169.0 320 1334 C 6 H 2 A 0.200 49.200 20 165.3 -8.0 3.652E-03 3322592387.90625 355.70 169.6 169.6 12.060 61.260 52.810 -78.9 297.6 168.9 320 1334 C 6 H 2 A 0.225 49.225 20 164.6 -7.0 3.574E-03 3322592392.84375 355.70 168.9 168.9 12.060 61.285 52.832 -78.1 296.5 168.1 320 1334 C 6 H 2 A 0.250 49.250 20 163.4 -8.1 3.646E-03 3322580993.96875 355.70 167.7 167.7 12.060 61.310 52.853 -77.2 300.9 167.2 320 1334 C 6 H 2 A 0.250 49.250 20 163.3 -5.0 3.348E-03 3322592397.78125 355.70 167.6 167.6 12.060 61.310 52.853 -76.5 294.7 166.5 320 1334 C 6 H 2 A 0.275 49.275 20 163.0 -2.9 3.014E-03 3322592402.71875 355.70 167.3 167.3 12.060 61.335 52.875 -75.8 291.3 165.8 320 1334 C 6 H 2 A 0.300 49.300 20 163.9 -3.7 3.055E-03 3322580999.29687 355.70 168.2 168.2 12.060 61.360 52.897 -76.7 291.0 166.7 320 1334 C 6 H 2 A 0.300 49.300 20 159.9 -2.7 2.296E-03 3322592407.64062 355.70 164.2 164.2 12.060 61.360 52.897 -72.9 295.9 162.9 320 1334 C 6 H 2 A 0.325 49.325 20 163.9 -3.4 2.475E-03 3322592412.57812 355.70 168.2 168.2 12.060 61.385 52.918 -76.7 290.5 166.7 320 1334 C 6 H 2 A 0.350 49.350 20 164.7 -6.2 2.417E-03 3322581004.62500 355.70 169.0 169.0 12.060 61.410 52.940 -78.0 294.6 168.0 320 1334 C 6 H 2 A 0.350 49.350 20 163.7 -4.5 2.369E-03 3322592417.51562 355.70 168.0 168.0 12.060 61.410 52.940 -76.7 293.0 166.7 320 1334 C 6 H 2 A 0.375 49.375 20 163.2 -4.9 2.227E-03 3322592422.43750 355.70 167.5 167.5 12.060 61.435 52.961 -76.4 294.7 166.4 320 1334 C 6 H 2 A 0.400 49.400 20 162.5 -7.2 2.308E-03 3322581009.95312 355.70 166.8 166.8 12.060 61.460 52.983 -76.2 300.3 166.2 320 1334 C 6 H 2 A 0.400 49.400 20 162.1 -4.2 2.121E-03 3322592427.37500 355.70 166.4 166.4 12.060 61.460 52.983 -75.2 295.2 165.2 320 1334 C 6 H 2 A 0.425 49.425 20 162.1 -2.3 2.235E-03 3322592432.31250 355.70 166.4 166.4 12.060 61.485 53.004 -74.8 291.9 164.8 320 1334 C 6 H 2 A 0.450 49.450 20 163.4 -4.6 2.381E-03 3322581015.28125 355.70 167.7 167.7 12.060 61.510 53.026 -76.5 293.7 166.5 320 1334 C 6 H 2 A 0.450 49.450 20 163.9 4.8 2.663E-03 3322592437.23437 355.70 168.2 168.2 12.060 61.510 53.026 -74.3 277.0 164.3 320 1334 C 6 H 2 A 0.475 49.475 20 165.5 -0.1 3.922E-03 3322592442.17187 355.70 169.8 169.8 12.060 61.535 53.047 -77.1 280.5 167.1 320 1334 C 6 H 2 A 0.500 49.500 20 166.1 -1.6 3.934E-03 3322581020.59375 355.70 170.4 170.4 12.060 61.560 53.069 -78.0 281.5 168.0 320 1334 C 6 H 2 A 0.500 49.500 20 165.7 -0.1 4.882E-03 3322592447.10937 355.70 170.0 170.0 12.060 61.560 53.069 -77.3 279.9 167.3 320 1334 C 6 H 2 A 0.525 49.525 20 164.1 -0.8 4.859E-03 3322592452.03125 355.70 168.4 168.4 12.060 61.585 53.091 -76.2 285.3 166.2 320 1334 C 6 H 2 A 0.550 49.550 20 163.1 -1.9 5.032E-03 3322581025.92187 355.70 167.4 167.4 12.060 61.610 53.112 -75.6 289.3 165.6 320 1334 C 6 H 2 A 0.550 49.550 20 163.4 -2.0 4.701E-03 3322592456.96875 355.70 167.7 167.7 12.060 61.610 53.112 -75.9 288.9 165.9 320 1334 C 6 H 2 A 0.575 49.575 20 159.2 -4.1 3.216E-03 3322592461.90625 355.70 163.5 163.5 12.060 61.635 53.134 -72.5 299.0 162.5 320 1334 C 6 H 2 A 0.600 49.600 20 160.9 -4.8 3.395E-03 3322581031.25000 355.70 165.2 165.2 12.060 61.660 53.155 -74.2 298.0 164.2 320 1334 C 6 H 2 A 0.600 49.600 20 162.8 -3.5 3.103E-03 3322592466.82812 355.70 167.1 167.1 12.060 61.660 53.155 -75.7 292.8 165.7 320 1334 C 6 H 2 A 0.625 49.625 20 161.8 -3.2 2.225E-03 3322592471.76562 355.70 166.1 166.1 12.060 61.685 53.177 -74.8 293.9 164.8 320 1334 C 6 H 2 A 0.650 49.650 20 161.9 -5.0 2.266E-03 3322581036.57812 355.70 166.2 166.2 12.060 61.710 53.198 -75.2 297.0 165.2 320 1334 C 6 H 2 A 0.650 49.650 20 159.9 -3.5 1.418E-03 3322592476.70312 355.70 164.2 164.2 12.060 61.710 53.198 -73.1 297.2 163.1 320 1334 C 6 H 2 A 0.675 49.675 20 136.7 -8.8 4.963E-04 3322592481.62500 355.70 141.0 141.0 12.060 61.735 53.220 -51.1 315.2 141.1 320 1334 C 6 H 2 A 0.700 49.700 20 146.1 -14.4 6.308E-04 3322581041.90625 355.70 150.4 150.4 12.060 61.760 53.241 -60.7 318.7 150.7 320 1334 C 6 H 2 A 0.700 49.700 20 159.9 -8.1 4.179E-04 3322592486.56250 355.70 164.2 164.2 12.060 61.760 53.241 -73.8 304.9 163.8 320 1334 C 6 H 2 A 0.725 49.725 20 320.0 -4.8 5.322E-04 3322592491.50000 355.70 324.3 -35.7 12.060 61.785 53.263 52.9 123.2 37.1 320 1334 C 6 H 2 A 0.750 49.750 20 314.9 -17.3 4.704E-04 3322581047.21875 355.70 319.2 -40.8 12.060 61.810 53.284 46.0 116.4 44.0 320 1334 C 6 H 2 A 0.750 49.750 20 339.8 -6.6 5.684E-04 3322592496.42187 355.70 344.1 -15.9 12.060 61.810 53.284 70.5 103.1 19.5 320 1334 C 6 H 2 A 0.775 49.775 20 346.1 -4.3 1.480E-03 3322592501.35937 355.70 350.4 -9.6 12.060 61.835 53.306 76.0 91.7 14.0 320 1334 C 6 H 2 A 0.800 49.800 20 344.3 -9.6 1.231E-03 3322581052.54687 355.70 348.6 -11.4 12.060 61.860 53.328 72.9 89.9 17.2 320 1334 C 6 H 2 A 0.800 49.800 20 335.6 -7.9 1.242E-03 3322592506.28125 355.70 339.9 -20.1 12.060 61.860 53.328 66.7 107.9 23.4 320 1334 C 6 H 2 A 0.825 49.825 20 336.9 -9.1 1.315E-03 3322592511.21875 355.70 341.2 -18.8 12.060 61.885 53.349 67.4 104.8 22.6 320 1334 C 6 H 2 A 0.850 49.850 20 338.4 -12.6 1.340E-03 3322581057.87500 355.70 342.7 -17.3 12.060 61.910 53.371 67.5 98.7 22.5 320 1334 C 6 H 2 A 0.850 49.850 20 338.9 -11.3 1.175E-03 3322592516.15625 355.70 343.2 -16.8 12.060 61.910 53.371 68.4 99.3 21.7 320 1334 C 6 H 2 A 0.875 49.875 20 341.9 -12.8 1.024E-03 3322592521.07812 355.70 346.2 -13.8 12.060 61.935 53.392 70.0 92.0 20.0 320 1334 C 6 H 2 A 0.900 49.900 20 342.1 -17.1 1.126E-03 3322581063.20312 355.70 346.4 -13.6 12.060 61.960 53.414 68.5 87.3 21.5 320 1334 C 6 H 2 A 0.900 49.900 20 342.0 -10.0 1.046E-03 3322592526.01562 355.70 346.3 -13.7 12.060 61.960 53.414 71.1 94.8 18.9 320 1334 C 6 H 2 A 0.925 49.925 20 340.7 -4.7 1.225E-03 3322592530.95312 355.70 345.0 -15.0 12.060 61.985 53.435 71.8 103.9 18.2 320 1334 C 6 H 2 A 0.950 49.950 20 342.8 -10.5 1.322E-03 3322581068.53125 355.70 347.1 -12.9 12.060 62.010 53.457 71.5 92.5 18.5 320 1334 C 6 H 2 A 0.950 49.950 20 340.5 0.2 1.545E-03 3322592535.87500 355.70 344.8 -15.2 12.060 62.010 53.457 72.9 111.2 17.1 320 1334 C 6 H 2 A 0.975 49.975 20 345.3 2.6 2.195E-03 3322592540.81250 355.70 349.6 -10.4 12.060 62.035 53.478 77.7 105.7 12.3 320 1334 C 6 H 2 A 1.000 50.000 20 345.6 3.5 2.159E-03 3322581073.84375 355.70 349.9 -10.1 12.060 62.060 53.500 78.2 106.7 11.8 320 1334 C 6 H 2 A 1.000 50.000 20 342.5 5.8 2.142E-03 3322592545.75000 355.70 346.8 -13.2 12.060 62.060 53.500 75.9 117.6 14.1 320 1334 C 6 H 2 A 1.025 50.025 20 342.3 6.6 2.487E-03 3322592550.67187 355.70 346.6 -13.4 12.060 62.085 53.522 75.9 119.4 14.1 320 1334 C 6 H 2 A 1.050 50.050 20 342.6 2.5 2.487E-03 3322581079.17187 355.70 346.9 -13.1 12.060 62.110 53.543 75.3 111.3 14.7 320 1334 C 6 H 2 A 1.050 50.050 20 341.7 6.3 2.626E-03 3322592555.60937 355.70 346.0 -14.0 12.060 62.110 53.543 75.3 119.7 14.8 320 1334 C 6 H 2 A 1.075 50.075 20 342.7 5.2 2.649E-03 3322592560.53125 355.70 347.0 -13.0 12.060 62.135 53.565 76.0 116.1 14.0 320 1334 C 6 H 2 A 1.100 50.100 20 344.7 1.9 2.854E-03 3322581084.50000 355.70 349.0 -11.0 12.060 62.160 53.586 77.0 105.8 13.0 320 1334 C 6 H 2 A 1.100 50.100 20 341.9 4.4 2.517E-03 3322592565.46875 355.70 346.2 -13.8 12.060 62.160 53.586 75.1 115.9 14.9 320 1334 C 6 H 2 A 1.125 50.125 20 339.2 3.5 2.330E-03 3322592570.40625 355.70 343.5 -16.5 12.060 62.185 53.608 72.4 118.1 17.6 320 1334 C 6 H 2 A 1.150 50.150 20 341.4 -0.2 2.432E-03 3322581089.82812 355.70 345.7 -14.3 12.060 62.210 53.629 73.6 109.1 16.4 320 1334 C 6 H 2 A 1.150 50.150 20 337.8 2.7 2.225E-03 3322592575.34375 355.70 342.1 -17.9 12.060 62.210 53.629 71.0 118.5 19.0 320 1334 C 6 H 2 A 1.175 50.175 20 338.2 1.8 2.197E-03 3322592580.26562 355.70 342.5 -17.5 12.060 62.235 53.651 71.2 116.7 18.8 320 1334 C 6 H 2 A 1.200 50.200 20 339.5 -1.9 2.307E-03 3322581095.15625 355.70 343.8 -16.2 12.060 62.260 53.672 71.5 109.8 18.5 320 1334 C 6 H 2 A 1.200 50.200 20 339.9 1.1 2.325E-03 3322592585.20312 355.70 344.2 -15.8 12.060 62.260 53.672 72.6 113.5 17.4 320 1334 C 6 H 2 A 1.225 50.225 20 341.8 -2.9 2.522E-03 3322592590.14062 355.70 346.1 -13.9 12.060 62.285 53.694 73.2 104.3 16.8 320 1334 C 6 H 2 A 1.250 50.250 20 342.5 -3.4 2.563E-03 3322581100.46875 355.70 346.8 -13.2 12.060 62.310 53.716 73.7 102.2 16.4 320 1334 C 6 H 2 A 1.250 50.250 20 343.5 -1.1 2.599E-03 3322592595.07812 355.70 347.8 -12.2 12.060 62.310 53.716 75.1 103.5 14.9 320 1334 C 6 H 2 A 1.275 50.275 20 345.3 -2.0 2.588E-03 3322592600.00000 355.70 349.6 -10.4 12.060 62.335 53.737 76.3 97.5 13.7 320 1334 C 6 H 2 A 1.300 50.300 20 345.3 -5.3 2.667E-03 3322581105.79687 355.70 349.6 -10.4 12.060 62.360 53.759 75.1 92.7 14.9 320 1334 C 6 H 2 A 1.300 50.300 20 344.9 -2.2 2.464E-03 3322592604.93750 355.70 349.2 -10.8 12.060 62.360 53.759 75.9 98.3 14.1 320 1334 C 6 H 2 A 1.325 50.325 20 344.6 -1.8 2.259E-03 3322592609.87500 355.70 348.9 -11.1 12.060 62.385 53.780 75.8 99.7 14.2 320 1334 C 6 H 2 A 1.350 50.350 20 346.3 -5.3 2.412E-03 3322581111.12500 355.70 350.6 -9.4 12.060 62.410 53.802 75.8 89.7 14.2 320 1334 C 6 H 2 A 1.350 50.350 20 345.5 -2.6 1.928E-03 3322592614.79687 355.70 349.8 -10.2 12.060 62.410 53.802 76.2 96.0 13.8 320 1334 C 6 H 2 A 1.375 50.375 20 346.4 -4.6 1.626E-03 3322592619.73437 355.70 350.7 -9.3 12.060 62.435 53.823 76.1 90.4 13.9 320 1334 C 6 H 2 A 1.400 50.400 20 345.7 -16.8 1.534E-03 3322581116.45312 355.70 350.0 -10.0 12.060 62.460 53.845 70.7 79.2 19.4 320 1334 C 6 H 2 A 1.400 50.400 20 346.5 -7.4 1.323E-03 3322592624.65625 355.70 350.8 -9.2 12.060 62.460 53.845 75.1 86.4 14.9 320 1334 C 6 H 2 A 1.425 50.425 20 304.2 -27.0 3.746E-04 3322592629.59375 355.70 308.5 -51.5 12.060 62.485 53.866 34.3 114.6 55.7 320 1334 C 6 H 3 A 0.075 50.575 20 350.3 1.0 6.915E-04 3322590665.81250 355.70 354.6 -5.4 12.060 62.635 53.996 80.8 84.0 9.2 320 1334 C 6 H 3 A 0.100 50.600 20 354.6 -4.6 1.215E-03 3322582042.96875 355.70 358.9 -1.1 12.060 62.660 54.017 79.6 54.2 10.4 320 1334 C 6 H 3 A 0.100 50.600 20 348.1 -1.7 7.794E-04 3322590670.75000 355.70 352.4 -7.6 12.060 62.660 54.017 78.4 88.9 11.7 320 1334 C 6 H 3 A 0.125 50.625 20 350.2 -3.5 1.128E-03 3322590675.67187 355.70 354.5 -5.5 12.060 62.685 54.039 78.8 77.6 11.2 320 1334 C 6 H 3 A 0.150 50.650 20 355.6 -3.9 2.343E-03 3322582048.29687 355.70 359.9 -0.1 12.060 62.710 54.060 80.1 48.6 10.0 320 1334 C 6 H 3 A 0.150 50.650 20 350.0 -2.9 1.463E-03 3322590680.60937 355.70 354.3 -5.7 12.060 62.710 54.060 79.0 79.3 11.0 320 1334 C 6 H 3 A 0.175 50.675 20 352.7 -1.9 2.200E-03 3322590685.53125 355.70 357.0 -3.0 12.060 62.735 54.082 80.6 66.6 9.4 320 1334 C 6 H 3 A 0.200 50.700 20 357.1 -3.5 2.992E-03 3322582053.62500 355.70 1.4 1.4 12.060 62.760 54.103 80.2 39.8 9.9 320 1334 C 6 H 3 A 0.200 50.700 20 353.9 -2.0 2.469E-03 3322590690.46875 355.70 358.2 -1.8 12.060 62.760 54.103 80.8 59.4 9.2 320 1334 C 6 H 3 A 0.225 50.725 20 354.8 -2.4 2.765E-03 3322590695.40625 355.70 359.1 -0.9 12.060 62.785 54.125 80.8 53.6 9.2 320 1334 C 6 H 3 A 0.250 50.750 20 356.3 -3.7 2.886E-03 3322582058.95312 355.70 0.6 0.6 12.060 62.810 54.147 80.1 44.5 9.9 320 1334 C 6 H 3 A 0.250 50.750 20 355.3 -2.1 2.858E-03 3322590700.34375 355.70 359.6 -0.4 12.060 62.810 54.147 80.9 50.6 9.1 320 1334 C 6 H 3 A 0.275 50.775 20 355.2 -0.9 2.794E-03 3322590705.26562 355.70 359.5 -0.5 12.060 62.835 54.168 81.5 51.4 8.5 320 1334 C 6 H 3 A 0.300 50.800 20 357.2 -1.5 2.629E-03 3322582064.26562 355.70 1.5 1.5 12.060 62.860 54.190 81.1 38.3 8.9 320 1334 C 6 H 3 A 0.300 50.800 20 355.9 1.0 2.579E-03 3322590710.20312 355.70 0.2 0.2 12.060 62.860 54.190 82.5 46.5 7.5 320 1334 C 6 H 3 A 0.325 50.825 20 358.1 2.8 2.383E-03 3322590715.14062 355.70 2.4 2.4 12.060 62.885 54.211 83.0 28.0 7.0 320 1334 C 6 H 3 A 0.350 50.850 20 0.7 2.1 2.267E-03 3322582069.59375 355.70 5.0 5.0 12.060 62.910 54.233 81.5 12.2 8.6 320 1334 C 6 H 3 A 0.350 50.850 20 0.4 5.4 2.207E-03 3322590720.06250 355.70 4.7 4.7 12.060 62.910 54.233 82.9 6.3 7.1 320 1334 C 6 H 3 A 0.375 50.875 20 1.0 10.8 2.110E-03 3322590725.00000 355.70 5.3 5.3 12.060 62.935 54.254 84.2 343.6 5.9 320 1334 C 6 H 3 A 0.400 50.900 20 1.9 11.3 1.992E-03 3322582074.92187 355.70 6.2 6.2 12.060 62.960 54.276 83.4 338.1 6.6 320 1334 C 6 H 3 A 0.400 50.900 20 1.6 12.4 1.973E-03 3322590729.92187 355.70 5.9 5.9 12.060 62.960 54.276 83.9 334.1 6.1 320 1334 C 6 H 3 A 0.425 50.925 20 359.0 15.3 1.882E-03 3322590734.85937 355.70 3.3 3.3 12.060 62.985 54.297 86.7 321.5 3.3 320 1334 C 6 H 3 A 0.450 50.950 20 353.8 12.3 2.037E-03 3322582080.25000 355.70 358.1 -1.9 12.060 63.010 54.319 87.4 94.8 2.6 320 1334 C 6 H 3 A 0.450 50.950 20 352.3 15.0 1.997E-03 3322590739.78125 355.70 356.6 -3.4 12.060 63.010 54.319 86.6 132.0 3.4 320 1334 C 6 H 3 A 0.475 50.975 20 348.8 13.1 2.202E-03 3322590744.71875 355.70 353.1 -6.9 12.060 63.035 54.341 83.0 127.2 7.0 320 1334 C 6 H 3 A 0.500 51.000 20 349.1 10.4 2.181E-03 3322582085.57812 355.70 353.4 -6.6 12.060 63.060 54.362 82.9 115.6 7.1 320 1334 C 6 H 3 A 0.500 51.000 20 347.4 11.9 2.170E-03 3322590749.65625 355.70 351.7 -8.3 12.060 63.060 54.362 81.5 125.0 8.5 320 1334 C 6 H 3 A 0.525 51.025 20 344.0 14.8 1.390E-03 3322590754.57812 355.70 348.3 -11.7 12.060 63.085 54.384 78.4 136.5 11.6 320 1334 C 6 H 3 A 0.550 51.050 20 340.4 16.3 5.972E-04 3322582090.90625 355.70 344.7 -15.3 12.060 63.110 54.405 74.9 140.3 15.2 320 1334 C 6 H 3 A 0.550 51.050 20 340.2 20.6 5.943E-04 3322590759.51562 355.70 344.5 -15.5 12.060 63.110 54.405 74.5 149.0 15.5 320 1334 C 6 H 3 A 0.575 51.075 20 350.4 14.2 3.966E-04 3322590764.43750 355.70 354.7 -5.3 12.060 63.135 54.427 84.7 129.8 5.3 320 1334 C 6 H 3 A 0.600 51.100 20 6.6 -28.2 1.762E-04 3322582096.21875 355.70 10.9 10.9 12.060 63.160 54.448 64.6 22.8 25.4 320 1334 C 6 H 3 A 0.600 51.100 20 359.2 -55.0 1.859E-04 3322590769.37500 355.70 3.5 3.5 12.060 63.160 54.448 46.4 43.9 43.7 320 1334 C 6 H 3 A 0.625 51.125 20 30.3 -18.4 6.498E-05 3322590774.31250 355.70 34.6 34.6 12.060 63.185 54.470 51.4 344.2 38.6 320 1334 C 6 H 3 A 0.650 51.150 20 9.9 -29.2 1.675E-04 3322582101.54687 355.70 14.2 14.2 12.060 63.210 54.491 62.5 17.2 27.5 320 1334 C 6 H 3 A 0.650 51.150 20 358.2 -22.6 1.171E-04 3322590779.23437 355.70 2.5 2.5 12.060 63.210 54.491 70.1 40.8 19.9 320 1334 C 6 H 3 A 0.675 51.175 20 355.7 -19.7 1.609E-04 3322590784.17187 355.70 0.0 0.0 12.060 63.235 54.513 71.9 48.0 18.2 320 1334 C 6 H 3 A 0.700 51.200 20 357.3 -24.8 1.912E-04 3322582106.87500 355.70 1.6 1.6 12.060 63.260 54.534 68.9 43.7 21.1 320 1334 C 6 H 3 A 0.700 51.200 20 351.0 -16.8 1.700E-04 3322590789.10937 355.70 355.3 -4.7 12.060 63.260 54.534 72.8 63.9 17.2 320 1334 C 6 H 3 A 0.725 51.225 20 347.9 -8.0 1.596E-04 3322590794.03125 355.70 352.2 -7.8 12.060 63.285 54.556 75.7 81.2 14.3 320 1334 C 6 H 3 A 0.750 51.250 20 355.8 -11.4 2.123E-04 3322582112.20312 355.70 0.1 0.1 12.060 63.310 54.578 76.2 47.6 13.8 320 1334 C 6 H 3 A 0.750 51.250 20 352.7 -0.7 1.746E-04 3322590798.96875 355.70 357.0 -3.0 12.060 63.310 54.578 81.1 67.9 8.9 320 1334 C 6 H 3 A 0.775 51.275 20 350.6 -0.8 2.045E-04 3322590803.90625 355.70 354.9 -5.1 12.060 63.335 54.599 80.2 79.4 9.8 320 1334 C 6 H 3 A 0.800 51.300 20 1.9 -12.5 2.454E-04 3322582117.53125 355.70 6.2 6.2 12.060 63.360 54.621 74.4 24.5 15.6 320 1334 C 6 H 3 A 0.800 51.300 20 355.4 -4.2 2.110E-04 3322590808.82812 355.70 359.7 -0.3 12.060 63.360 54.621 79.9 49.7 10.1 320 1334 C 6 H 3 A 0.825 51.325 20 2.9 -6.9 2.136E-04 3322590813.76562 355.70 7.2 7.2 12.060 63.385 54.642 76.5 15.7 13.5 320 1334 C 6 H 3 A 0.850 51.350 20 4.5 -19.7 2.093E-04 3322582122.84375 355.70 8.8 8.8 12.060 63.410 54.664 69.9 22.1 20.2 320 1334 C 6 H 3 A 0.850 51.350 20 359.0 -9.0 1.965E-04 3322590818.68750 355.70 3.3 3.3 12.060 63.410 54.664 77.1 33.2 13.0 320 1334 C 6 H 3 A 0.875 51.375 20 358.4 -10.7 1.796E-04 3322590823.62500 355.70 2.7 2.7 12.060 63.435 54.685 76.3 36.6 13.7 320 1334 C 6 H 3 A 0.900 51.400 20 11.3 -29.1 1.431E-04 3322582128.17187 355.70 15.6 15.6 12.060 63.460 54.707 61.8 14.7 28.2 320 1334 C 6 H 3 A 0.900 51.400 20 3.5 -11.0 1.359E-04 3322590828.56250 355.70 7.8 7.8 12.060 63.460 54.707 74.4 17.9 15.6 320 1334 C 6 H 3 A 0.925 51.425 20 13.3 -4.7 1.303E-04 3322590833.48437 355.70 17.6 17.6 12.060 63.485 54.728 69.6 347.9 20.4 320 1334 C 6 H 3 A 0.950 51.450 20 176.6 -4.7 7.277E-04 3322582133.50000 355.70 180.9 180.9 12.060 63.510 54.750 -84.3 219.0 174.3 320 1334 C 6 H 3 A 0.950 51.450 20 28.1 -2.5 9.481E-05 3322590838.42187 355.70 32.4 32.4 12.060 63.510 54.750 56.4 332.6 33.6 320 1334 C 6 H 3 A 0.975 51.475 20 172.5 -1.8 3.764E-04 3322590843.35937 355.70 176.8 176.8 12.060 63.535 54.772 -82.2 252.4 172.2 320 1334 C 6 H 3 A 1.000 51.500 20 170.2 -29.7 1.872E-04 3322582138.82812 355.70 174.5 174.5 12.060 63.560 54.793 -80.4 14.4 170.4 320 1334 C 6 H 3 A 1.000 51.500 20 163.3 -11.4 1.659E-04 3322590848.28125 355.70 167.6 167.6 12.060 63.560 54.793 -77.5 308.5 167.5 320 1334 C 6 H 3 A 1.025 51.525 20 172.2 -14.8 3.005E-04 3322590853.21875 355.70 176.5 176.5 12.060 63.585 54.815 -86.5 310.5 176.5 320 1334 C 6 H 3 A 1.050 51.550 20 177.6 -20.6 4.987E-04 3322582144.15625 355.70 181.9 181.9 12.060 63.610 54.836 -86.8 83.2 176.8 320 1334 C 6 H 3 A 1.050 51.550 20 178.8 -14.7 4.747E-04 3322590858.15625 355.70 183.1 183.1 12.060 63.610 54.836 -86.9 147.6 176.9 320 1334 C 6 H 3 A 1.075 51.575 20 176.3 -15.6 5.713E-04 3322590863.07812 355.70 180.6 180.6 12.060 63.635 54.858 -89.4 143.1 179.4 320 1334 C 6 H 3 A 1.100 51.600 20 175.4 -18.5 6.307E-04 3322582149.46875 355.70 179.7 179.7 12.060 63.660 54.879 -88.5 36.9 178.5 320 1334 C 6 H 3 A 1.100 51.600 20 174.4 -14.0 6.548E-04 3322590868.01562 355.70 178.7 178.7 12.060 63.660 54.879 -88.4 283.4 178.4 320 1334 C 6 H 3 A 1.125 51.625 20 174.3 -13.5 6.188E-04 3322590873.10937 355.70 178.6 178.6 12.060 63.685 54.901 -88.2 278.4 178.2 320 1334 C 6 H 3 A 1.150 51.650 20 174.8 -14.6 5.912E-04 3322582154.79687 355.70 179.1 179.1 12.060 63.710 54.922 -88.9 285.1 178.9 320 1334 C 6 H 3 A 1.150 51.650 20 173.7 -11.3 5.711E-04 3322590878.04687 355.70 178.0 178.0 12.060 63.710 54.922 -87.0 269.0 177.0 320 1334 C 6 H 3 A 1.175 51.675 20 173.8 -8.4 5.258E-04 3322590882.98437 355.70 178.1 178.1 12.060 63.735 54.944 -85.8 254.7 175.8 320 1334 C 6 H 3 A 1.200 51.700 20 172.6 -10.2 6.196E-04 3322582160.12500 355.70 176.9 176.9 12.060 63.760 54.966 -85.8 275.3 175.8 320 1334 C 6 H 3 A 1.200 51.700 20 173.6 -6.1 5.550E-04 3322590887.90625 355.70 177.9 177.9 12.060 63.760 54.966 -84.6 251.1 174.6 320 1334 C 6 H 3 A 1.225 51.725 20 173.7 -6.1 6.948E-04 3322590892.84375 355.70 178.0 178.0 12.060 63.785 54.987 -84.7 250.1 174.7 320 1334 C 6 H 3 A 1.250 51.750 20 177.3 -7.8 1.198E-03 3322582165.45312 355.70 181.6 181.6 12.060 63.810 55.009 -85.6 206.6 175.6 320 1334 C 6 H 3 A 1.250 51.750 20 174.7 -8.1 7.942E-04 3322590897.78125 355.70 179.0 179.0 12.060 63.810 55.009 -86.0 242.3 176.0 320 1334 C 6 H 3 A 1.275 51.775 20 174.1 -9.0 9.350E-04 3322590902.70312 355.70 178.4 178.4 12.060 63.835 55.030 -86.2 252.7 176.2 320 1334 C 6 H 3 A 1.300 51.800 20 173.8 -12.2 1.055E-03 3322582170.78125 355.70 178.1 178.1 12.060 63.860 55.052 -87.4 274.0 177.4 320 1334 C 6 H 3 A 1.300 51.800 20 172.3 -10.3 9.972E-04 3322590907.64062 355.70 176.6 176.6 12.060 63.860 55.052 -85.6 278.5 175.6 320 1334 C 6 H 3 A 1.325 51.825 20 174.0 -10.1 1.027E-03 3322590912.57812 355.70 178.3 178.3 12.060 63.885 55.073 -86.6 258.3 176.6 320 1334 C 6 H 3 A 1.350 51.850 20 179.1 -16.3 9.031E-04 3322582176.09375 355.70 183.4 183.4 12.060 63.910 55.095 -86.6 132.4 176.6 320 1334 C 6 H 3 A 1.350 51.850 20 175.7 -12.2 9.357E-04 3322590917.51562 355.70 180.0 180.0 12.060 63.910 55.095 -88.2 228.0 178.2 320 1334 C 6 H 3 A 1.375 51.875 20 179.2 -14.9 8.309E-04 3322590922.43750 355.70 183.5 183.5 12.060 63.935 55.116 -86.5 144.7 176.5 320 1334 C 6 H 3 A 1.400 51.900 20 177.8 -17.9 7.357E-04 3322582181.42187 355.70 182.1 182.1 12.060 63.960 55.138 -87.6 108.4 177.6 320 1334 C 6 H 3 A 1.400 51.900 20 177.9 -14.7 7.572E-04 3322590927.37500 355.70 182.2 182.2 12.060 63.960 55.138 -87.8 151.5 177.8 320 1334 C 6 H 3 A 1.425 51.925 20 176.5 -11.1 7.236E-04 3322590932.29687 355.70 180.8 180.8 12.060 63.985 55.159 -87.5 209.7 177.5 320 1334 C 6 H 4 A 0.075 52.075 20 190.2 -10.9 4.051E-04 3322591360.76562 355.70 194.5 194.5 12.060 64.135 55.289 -75.4 147.0 165.4 320 1334 C 6 H 4 A 0.100 52.100 20 186.3 -16.3 4.708E-04 3322583015.56250 355.70 190.6 190.6 12.060 64.160 55.310 -79.5 135.5 169.5 320 1334 C 6 H 4 A 0.100 52.100 20 186.2 -12.0 4.806E-04 3322591365.70312 355.70 190.5 190.5 12.060 64.160 55.310 -79.4 147.9 169.4 320 1334 C 6 H 4 A 0.125 52.125 20 182.7 -13.2 5.324E-04 3322591370.64062 355.70 187.0 187.0 12.060 64.185 55.332 -82.9 148.3 172.9 320 1334 C 6 H 4 A 0.150 52.150 20 181.1 -8.6 1.236E-03 3322583020.89062 355.70 185.4 185.4 12.060 64.210 55.353 -83.5 172.1 173.5 320 1334 C 6 H 4 A 0.150 52.150 20 181.4 -5.7 1.421E-03 3322591375.56250 355.70 185.7 185.7 12.060 64.210 55.353 -82.3 179.9 172.3 320 1334 C 6 H 4 A 0.175 52.175 20 182.2 -9.8 9.296E-04 3322591380.50000 355.70 186.5 186.5 12.060 64.235 55.375 -82.9 163.0 172.9 320 1334 C 6 H 4 A 0.200 52.200 20 182.0 -10.3 1.043E-03 3322583026.21875 355.70 186.3 186.3 12.060 64.260 55.397 -83.1 161.8 173.1 320 1334 C 6 H 4 A 0.200 52.200 20 180.8 -8.5 1.033E-03 3322591385.42187 355.70 185.1 185.1 12.060 64.260 55.397 -83.7 174.0 173.7 320 1334 C 6 H 4 A 0.225 52.225 20 180.6 -7.0 9.970E-04 3322591390.35937 355.70 184.9 184.9 12.060 64.285 55.418 -83.4 180.4 173.4 320 1334 C 6 H 4 A 0.250 52.250 20 180.7 -5.7 9.433E-04 3322583031.54687 355.70 185.0 185.0 12.060 64.310 55.440 -82.8 183.7 172.8 320 1334 C 6 H 4 A 0.250 52.250 20 180.9 -3.8 9.108E-04 3322591395.28125 355.70 185.2 185.2 12.060 64.310 55.440 -82.0 187.4 172.0 320 1334 C 6 H 4 A 0.275 52.275 20 179.4 -0.3 8.646E-04 3322591400.21875 355.70 183.7 183.7 12.060 64.335 55.461 -81.3 202.7 171.3 320 1334 C 6 H 4 A 0.300 52.300 20 176.4 0.2 8.636E-04 3322583036.85937 355.70 180.7 180.7 12.060 64.360 55.483 -81.9 223.1 171.9 320 1334 C 6 H 4 A 0.300 52.300 20 176.1 3.3 8.661E-04 3322591405.15625 355.70 180.4 180.4 12.060 64.360 55.483 -80.3 225.6 170.3 320 1334 C 6 H 4 A 0.325 52.325 20 173.6 4.9 8.540E-04 3322591410.09375 355.70 177.9 177.9 12.060 64.385 55.504 -79.3 239.4 169.3 320 1334 C 6 H 4 A 0.350 52.350 20 175.1 1.9 8.891E-04 3322583042.18750 355.70 179.4 179.4 12.060 64.410 55.526 -81.0 231.9 171.0 320 1334 C 6 H 4 A 0.350 52.350 20 174.1 4.3 9.507E-04 3322591415.01562 355.70 178.4 178.4 12.060 64.410 55.526 -79.7 237.0 169.7 320 1334 C 6 H 4 A 0.375 52.375 20 177.1 3.4 1.017E-03 3322591419.95312 355.70 181.4 181.4 12.060 64.435 55.547 -80.2 219.8 170.2 320 1334 C 6 H 4 A 0.400 52.400 20 180.1 -0.4 1.102E-03 3322583047.51562 355.70 184.4 184.4 12.060 64.460 55.569 -81.1 198.5 171.1 320 1334 C 6 H 4 A 0.400 52.400 20 179.7 2.4 1.098E-03 3322591424.89062 355.70 184.0 184.0 12.060 64.460 55.569 -80.0 204.4 170.0 320 1334 C 6 H 4 A 0.425 52.425 20 181.7 0.7 1.313E-03 3322591429.81250 355.70 186.0 186.0 12.060 64.485 55.591 -79.7 192.1 169.7 320 1334 C 6 H 4 A 0.450 52.450 20 180.5 -1.6 2.397E-03 3322583052.84375 355.70 184.8 184.8 12.060 64.510 55.612 -81.4 194.2 171.4 320 1334 C 6 H 4 A 0.450 52.450 20 180.1 -0.6 1.545E-03 3322591434.75000 355.70 184.4 184.4 12.060 64.510 55.612 -81.1 198.2 171.1 320 1334 C 6 H 4 A 0.475 52.475 20 178.6 -1.5 2.039E-03 3322591439.68750 355.70 182.9 182.9 12.060 64.535 55.634 -82.2 206.2 172.2 320 1334 C 6 H 4 A 0.500 52.500 20 179.0 -3.1 1.829E-03 3322583058.15625 355.70 183.3 183.3 12.060 64.560 55.655 -82.8 200.9 172.8 320 1334 C 6 H 4 A 0.500 52.500 20 178.1 -1.9 1.828E-03 3322591444.60937 355.70 182.4 182.4 12.060 64.560 55.655 -82.6 209.2 172.6 320 1334 C 6 H 4 A 0.525 52.525 20 179.6 -1.7 1.780E-03 3322591449.54687 355.70 183.9 183.9 12.060 64.585 55.677 -81.9 199.3 171.9 320 1334 C 6 H 4 A 0.550 52.550 20 181.9 -2.8 1.604E-03 3322583063.48437 355.70 186.2 186.2 12.060 64.610 55.698 -81.0 184.6 171.0 320 1334 C 6 H 4 A 0.550 52.550 20 180.8 -1.6 1.642E-03 3322591454.48437 355.70 185.1 185.1 12.060 64.610 55.698 -81.2 192.6 171.2 320 1334 C 6 H 4 A 0.575 52.575 20 182.0 -1.4 1.336E-03 3322591459.40625 355.70 186.3 186.3 12.060 64.635 55.720 -80.4 187.0 170.4 320 1334 C 6 H 4 A 0.600 52.600 20 191.7 -3.2 4.151E-04 3322583068.81250 355.70 196.0 196.0 12.060 64.660 55.741 -72.8 159.1 162.8 320 1334 C 6 H 4 A 0.600 52.600 20 195.2 -1.1 2.026E-04 3322591464.34375 355.70 199.5 199.5 12.060 64.660 55.741 -69.2 158.1 159.2 320 1334 C 6 H 4 A 0.625 52.625 20 183.0 2.2 6.937E-04 3322591469.28125 355.70 187.3 187.3 12.060 64.685 55.763 -78.4 189.1 168.4 320 1334 C 6 H 4 A 0.650 52.650 20 180.2 0.2 5.856E-04 3322583074.14062 355.70 184.5 184.5 12.060 64.710 55.784 -80.7 198.8 170.7 320 1334 C 6 H 4 A 0.650 52.650 20 182.0 2.6 5.867E-04 3322591474.20312 355.70 186.3 186.3 12.060 64.710 55.784 -78.8 193.7 168.8 320 1334 C 6 H 4 A 0.675 52.675 20 179.4 -2.3 4.880E-04 3322591479.14062 355.70 183.7 183.7 12.060 64.735 55.806 -82.2 199.6 172.2 320 1334 C 6 H 4 A 0.700 52.700 20 174.2 -8.7 4.702E-04 3322583079.46875 355.70 178.5 178.5 12.060 64.760 55.828 -86.1 250.5 176.1 320 1334 C 6 H 4 A 0.700 52.700 20 178.0 -8.7 4.377E-04 3322591484.06250 355.70 182.3 182.3 12.060 64.760 55.828 -85.7 195.7 175.7 320 1334 C 6 H 4 A 0.725 52.725 20 177.4 -14.6 3.668E-04 3322591489.00000 355.70 181.7 181.7 12.060 64.785 55.849 -88.2 156.9 178.2 320 1334 C 6 H 4 A 0.750 52.750 20 182.9 -24.5 2.900E-04 3322583084.79687 355.70 187.2 187.2 12.060 64.810 55.871 -81.4 103.1 171.4 320 1334 C 6 H 4 A 0.750 52.750 20 179.1 -24.3 2.627E-04 3322591493.92187 355.70 183.4 183.4 12.060 64.810 55.871 -84.2 83.1 174.2 320 1334 C 6 H 4 A 0.775 52.775 20 186.0 -27.0 2.357E-04 3322591498.85937 355.70 190.3 190.3 12.060 64.835 55.892 -78.1 105.2 168.1 320 1334 C 6 H 4 A 0.800 52.800 20 185.0 -19.1 3.693E-04 3322583090.10937 355.70 189.3 189.3 12.060 64.860 55.914 -80.6 126.1 170.6 320 1334 C 6 H 4 A 0.800 52.800 20 188.4 -21.2 2.860E-04 3322591503.79687 355.70 192.7 192.7 12.060 64.860 55.914 -77.1 123.7 167.1 320 1334 C 6 H 4 A 0.825 52.825 20 183.7 -13.9 4.277E-04 3322591508.73437 355.70 188.0 188.0 12.060 64.885 55.935 -82.0 144.3 172.0 320 1334 C 6 H 4 A 0.850 52.850 20 184.5 -11.2 6.747E-04 3322583095.43750 355.70 188.8 188.8 12.060 64.910 55.957 -81.0 152.5 171.0 320 1334 C 6 H 4 A 0.850 52.850 20 183.7 -10.0 6.241E-04 3322591513.65625 355.70 188.0 188.0 12.060 64.910 55.957 -81.5 158.0 171.5 320 1334 C 6 H 4 A 0.875 52.875 20 182.6 -8.7 7.601E-04 3322591518.59375 355.70 186.9 186.9 12.060 64.935 55.978 -82.2 165.5 172.2 320 1334 C 6 H 4 A 0.900 52.900 20 185.2 -10.6 8.636E-04 3322583100.76562 355.70 189.5 189.5 12.060 64.960 56.000 -80.2 153.2 170.2 320 1334 C 6 H 4 A 0.900 52.900 20 182.1 -8.5 8.472E-04 3322591523.53125 355.70 186.4 186.4 12.060 64.960 56.000 -82.6 168.0 172.6 320 1334 C 6 H 4 A 0.925 52.925 20 180.5 -9.5 8.395E-04 3322591528.45312 355.70 184.8 184.8 12.060 64.985 56.022 -84.3 171.7 174.3 320 1334 C 6 H 4 A 0.950 52.950 20 177.3 -12.4 8.517E-04 3322583106.09375 355.70 181.6 181.6 12.060 65.010 56.043 -87.7 185.3 177.7 320 1334 C 6 H 4 A 0.950 52.950 20 175.5 -10.8 8.144E-04 3322591533.39062 355.70 179.8 179.8 12.060 65.010 56.043 -87.4 232.5 177.4 320 1334 C 6 H 4 A 0.975 52.975 20 172.0 -11.2 7.511E-04 3322591538.31250 355.70 176.3 176.3 12.060 65.035 56.065 -85.6 285.7 175.6 320 1334 C 6 H 4 A 1.000 53.000 20 177.9 -6.9 6.818E-04 3322583111.40625 355.70 182.2 182.2 12.060 65.060 56.086 -85.0 202.2 175.0 320 1334 C 6 H 4 A 1.000 53.000 20 173.4 -6.4 6.766E-04 3322591543.25000 355.70 177.7 177.7 12.060 65.060 56.086 -84.7 253.7 174.7 320 1334 C 6 H 4 A 1.025 53.025 20 177.7 1.7 6.549E-04 3322591548.18750 355.70 182.0 182.0 12.060 65.085 56.108 -80.9 215.2 170.9 320 1334 C 6 H 4 A 1.050 53.050 20 190.2 6.1 6.355E-04 3322583116.79687 355.70 194.5 194.5 12.060 65.110 56.129 -71.8 174.9 161.8 320 1334 C 6 H 4 A 1.050 53.050 20 185.6 9.3 6.725E-04 3322591553.10937 355.70 189.9 189.9 12.060 65.110 56.129 -73.9 189.8 163.9 320 1334 C 6 H 4 A 1.075 53.075 20 191.4 14.2 6.063E-04 3322591558.04687 355.70 195.7 195.7 12.060 65.135 56.151 -68.2 181.8 158.2 320 1334 C 6 H 4 A 1.100 53.100 20 201.3 7.8 5.449E-04 3322583122.12500 355.70 205.6 205.6 12.060 65.160 56.172 -61.8 162.1 151.8 320 1334 C 6 H 4 A 1.100 53.100 20 196.6 14.6 5.868E-04 3322591562.98437 355.70 200.9 200.9 12.060 65.160 56.172 -64.1 174.0 154.1 320 1334 C 6 H 4 A 1.125 53.125 20 196.3 9.4 5.640E-04 3322591567.90625 355.70 200.6 200.6 12.060 65.185 56.194 -65.8 169.1 155.8 320 1334 C 6 H 4 A 1.150 53.150 20 186.8 -4.8 8.698E-04 3322583127.45312 355.70 191.1 191.1 12.060 65.210 56.216 -77.6 164.3 167.6 320 1334 C 6 H 4 A 1.150 53.150 20 188.2 1.8 7.109E-04 3322591572.84375 355.70 192.5 192.5 12.060 65.210 56.216 -74.7 173.0 164.7 320 1334 C 6 H 4 A 1.175 53.175 20 183.1 -3.0 1.097E-03 3322591577.78125 355.70 187.4 187.4 12.060 65.235 56.237 -80.2 179.1 170.2 320 1334 C 6 H 4 A 1.200 53.200 20 184.2 -11.9 2.038E-03 3322583132.76562 355.70 188.5 188.5 12.060 65.260 56.259 -81.3 150.7 171.3 320 1334 C 6 H 4 A 1.200 53.200 20 181.3 -3.0 2.366E-03 3322591582.70312 355.70 185.6 185.6 12.060 65.260 56.259 -81.4 187.1 171.4 320 1334 C 6 H 4 A 1.225 53.225 20 182.2 -6.3 1.907E-03 3322591587.64062 355.70 186.5 186.5 12.060 65.285 56.280 -81.9 174.5 171.9 320 1334 C 6 H 4 A 1.250 53.250 20 181.4 -11.2 2.065E-03 3322583138.09375 355.70 185.7 185.7 12.060 65.310 56.302 -83.9 160.2 173.9 320 1334 C 6 H 4 A 1.250 53.250 20 179.6 -11.4 2.107E-03 3322591592.57812 355.70 183.9 183.9 12.060 65.310 56.302 -85.5 167.9 175.5 320 1334 C 6 H 4 A 1.275 53.275 20 176.5 -9.8 1.945E-03 3322591597.50000 355.70 180.8 180.8 12.060 65.335 56.323 -86.8 213.4 176.8 320 1334 C 6 H 4 A 1.300 53.300 20 174.8 -15.1 1.555E-03 3322583143.42187 355.70 179.1 179.1 12.060 65.360 56.345 -89.1 298.5 179.1 320 1334 C 6 H 4 A 1.300 53.300 20 175.0 -10.9 1.691E-03 3322591602.43750 355.70 179.3 179.3 12.060 65.360 56.345 -87.4 243.6 177.4 320 1334 C 6 H 4 A 1.325 53.325 20 176.1 -10.6 1.305E-03 3322591607.37500 355.70 180.4 180.4 12.060 65.385 56.366 -87.3 219.5 177.3 320 1334 C 6 H 4 A 1.350 53.350 20 188.0 -31.2 4.685E-04 3322583148.75000 355.70 192.3 192.3 12.060 65.410 56.388 -75.1 100.5 165.1 320 1334 C 6 H 4 A 1.350 53.350 20 181.1 -19.8 4.902E-04 3322591612.31250 355.70 185.4 185.4 12.060 65.410 56.388 -84.2 115.2 174.2 320 1334 C 6 H 4 A 1.375 53.375 20 346.4 -8.0 5.184E-04 3322591617.23437 355.70 350.7 -9.3 12.060 65.435 56.409 74.8 86.0 15.2 320 1334 C 6 H 4 A 1.400 53.400 20 355.0 5.5 1.292E-03 3322583154.07812 355.70 359.3 -0.7 12.060 65.460 56.431 84.7 55.6 5.3 320 1334 C 6 H 4 A 1.400 53.400 20 345.1 10.3 5.640E-04 3322591622.17187 355.70 349.4 -10.6 12.060 65.460 56.431 79.1 123.8 10.9 320 1334 C 6 H 4 A 1.425 53.425 20 354.0 3.7 1.238E-03 3322591627.10937 355.70 358.3 -1.7 12.060 65.485 56.453 83.6 63.5 6.4 320 1334 C 6 H 5 A 0.100 53.600 20 4.2 0.8 1.490E-03 3322583819.21875 355.70 8.5 8.5 12.060 65.660 56.603 78.6 359.5 11.4 320 1334 C 6 H 5 A 0.150 53.650 20 7.0 0.4 1.122E-03 3322583824.54687 355.70 11.3 11.3 12.060 65.710 56.647 76.3 352.2 13.7 320 1334 C 6 H 5 A 0.200 53.700 20 5.4 -2.4 9.588E-04 3322583829.87500 355.70 9.7 9.7 12.060 65.760 56.690 76.7 1.2 13.4 320 1334 C 6 H 5 A 0.250 53.750 20 2.4 -2.7 1.021E-03 3322583835.20312 355.70 6.7 6.7 12.060 65.810 56.733 78.5 12.2 11.5 320 1334 C 6 H 5 A 0.300 53.800 20 6.2 -0.3 1.253E-03 3322583840.51562 355.70 10.5 10.5 12.060 65.860 56.776 76.7 355.5 13.3 320 1334 C 6 H 5 A 0.350 53.850 20 6.2 1.5 1.206E-03 3322583845.84375 355.70 10.5 10.5 12.060 65.910 56.819 77.3 352.2 12.7 320 1334 C 6 H 5 A 0.400 53.900 20 7.4 1.8 9.342E-04 3322583851.17187 355.70 11.7 11.7 12.060 65.960 56.862 76.4 348.8 13.7 320 1334 C 6 H 5 A 0.450 53.950 20 6.9 1.0 8.490E-04 3322583856.50000 355.70 11.2 11.2 12.060 66.010 56.905 76.6 351.4 13.5 320 1334 C 6 H 5 A 0.500 54.000 20 3.4 1.0 8.362E-04 3322583861.82812 355.70 7.7 7.7 12.060 66.060 56.948 79.3 2.0 10.7 320 1334 C 6 H 5 A 0.550 54.050 20 0.5 3.5 7.848E-04 3322583867.15625 355.70 4.8 4.8 12.060 66.110 56.991 82.1 10.4 7.9 320 1334 C 6 H 5 A 0.600 54.100 20 6.8 1.2 1.199E-03 3322583872.46875 355.70 11.1 11.1 12.060 66.160 57.034 76.7 351.3 13.3 320 1334 C 6 H 5 A 0.650 54.150 20 6.7 2.0 1.187E-03 3322583877.79687 355.70 11.0 11.0 12.060 66.210 57.078 77.0 350.1 13.0 320 1334 C 6 H 5 A 0.700 54.200 20 4.3 1.8 9.732E-04 3322583883.12500 355.70 8.6 8.6 12.060 66.260 57.121 78.9 357.3 11.1 320 1334 C 6 H 5 A 0.750 54.250 20 2.2 -2.0 8.217E-04 3322583888.45312 355.70 6.5 6.5 12.060 66.310 57.164 78.9 12.0 11.1 320 1334 C 6 H 5 A 0.800 54.300 20 2.3 -2.9 8.962E-04 3322583893.78125 355.70 6.6 6.6 12.060 66.360 57.207 78.5 12.9 11.5 320 1334 C 6 H 5 A 0.850 54.350 20 4.2 -0.2 1.274E-03 3322583899.09375 355.70 8.5 8.5 12.060 66.410 57.250 78.3 1.3 11.7 320 1334 C 6 H 5 A 0.900 54.400 20 4.5 1.8 1.345E-03 3322583904.42187 355.70 8.8 8.8 12.060 66.460 57.293 78.7 356.6 11.3 320 1334 C 6 H 5 A 0.950 54.450 20 5.2 4.0 1.226E-03 3322583909.75000 355.70 9.5 9.5 12.060 66.510 57.336 78.8 349.9 11.2 320 1334 C 6 H 5 A 1.000 54.500 20 6.8 2.9 1.130E-03 3322583915.07812 355.70 11.1 11.1 12.060 66.560 57.379 77.2 348.1 12.9 320 1334 C 6 H 5 A 1.050 54.550 20 6.9 0.6 9.667E-04 3322583920.40625 355.70 11.2 11.2 12.060 66.610 57.422 76.4 352.1 13.6 320 1334 C 6 H 5 A 1.100 54.600 20 6.9 -1.3 9.126E-04 3322583925.71875 355.70 11.2 11.2 12.060 66.660 57.466 75.9 355.3 14.1 320 1334 C 6 H 5 A 1.150 54.650 20 9.4 -0.8 1.022E-03 3322583931.04687 355.70 13.7 13.7 12.060 66.710 57.509 74.0 349.0 16.0 320 1334 C 6 H 5 A 1.200 54.700 20 9.9 2.8 1.165E-03 3322583936.37500 355.70 14.2 14.2 12.060 66.760 57.552 74.4 342.3 15.6 320 1334 C 6 H 5 A 1.250 54.750 20 11.5 -0.2 1.160E-03 3322583941.70312 355.70 15.8 15.8 12.060 66.810 57.595 72.3 344.5 17.7 320 1334 C 6 H 5 A 1.300 54.800 20 10.5 -4.2 1.008E-03 3322583947.03125 355.70 14.8 14.8 12.060 66.860 57.638 72.1 351.8 17.9 320 1334 C 6 H 5 A 1.350 54.850 20 10.0 -7.8 8.894E-04 3322583952.34375 355.70 14.3 14.3 12.060 66.910 57.681 71.4 357.4 18.6 320 1334 C 6 H 5 A 1.400 54.900 20 13.0 -13.1 6.718E-04 3322583957.67187 355.70 17.3 17.3 12.060 66.960 57.724 67.4 357.9 22.6 320 1334 C 6 H 6 A 0.100 55.100 20 11.9 -4.7 4.765E-04 3322584684.18750 355.70 16.2 16.2 12.060 67.160 57.897 70.8 350.0 19.2 320 1334 C 6 H 6 A 0.150 55.150 20 12.4 -8.2 2.607E-04 3322584689.51562 355.70 16.7 16.7 12.060 67.210 57.940 69.4 353.5 20.6 320 1334 C 6 H 6 A 0.200 55.200 20 6.9 -8.3 1.943E-04 3322584694.82812 355.70 11.2 11.2 12.060 67.260 57.983 73.5 5.1 16.5 320 1334 C 6 H 6 A 0.250 55.250 20 5.5 -6.2 2.210E-04 3322584700.15625 355.70 9.8 9.8 12.060 67.310 58.026 75.2 6.3 14.8 320 1334 C 6 H 6 A 0.300 55.300 20 10.2 1.0 2.000E-04 3322584705.48437 355.70 14.5 14.5 12.060 67.360 58.069 73.7 344.8 16.3 320 1334 C 6 H 6 A 0.350 55.350 20 17.2 4.6 1.406E-04 3322584710.81250 355.70 21.5 21.5 12.060 67.410 58.112 67.9 331.8 22.2 320 1334 C 6 H 6 A 0.400 55.400 20 15.1 -5.7 8.561E-05 3322584716.14062 355.70 19.4 19.4 12.060 67.460 58.155 67.8 346.6 22.2 320 1334 C 6 H 6 A 0.450 55.450 20 5.4 -23.0 5.168E-05 3322584721.46875 355.70 9.7 9.7 12.060 67.510 58.198 67.8 22.2 22.2 320 1334 C 6 H 6 A 0.500 55.500 20 0.7 -29.7 5.187E-05 3322584726.79687 355.70 5.0 5.0 12.060 67.560 58.241 65.6 36.3 24.4 320 1334 C 6 H 6 A 0.550 55.550 20 6.6 -39.2 4.135E-05 3322584732.10937 355.70 10.9 10.9 12.060 67.610 58.284 58.0 28.7 32.0 320 1334 C 6 H 6 A 0.600 55.600 20 2.0 -28.4 4.879E-05 3322584737.43750 355.70 6.3 6.3 12.060 67.660 58.328 66.0 32.9 24.0 320 1334 C 6 H 6 A 0.650 55.650 20 12.8 -10.1 1.033E-04 3322584742.76562 355.70 17.1 17.1 12.060 67.710 58.371 68.5 355.0 21.5 320 1334 C 6 H 6 A 0.700 55.700 20 19.3 -14.5 1.400E-04 3322584748.09375 355.70 23.6 23.6 12.060 67.760 58.414 61.9 350.6 28.1 320 1334 C 6 H 6 A 0.750 55.750 20 12.8 -21.1 1.924E-04 3322584753.42187 355.70 17.1 17.1 12.060 67.810 58.457 64.6 5.8 25.5 320 1334 C 6 H 6 A 0.800 55.800 20 18.6 -17.0 3.340E-04 3322584758.73437 355.70 22.9 22.9 12.060 67.860 58.500 61.7 353.7 28.3 320 1334 C 6 H 6 A 0.850 55.850 20 15.1 -6.4 6.883E-04 3322584764.06250 355.70 19.4 19.4 12.060 67.910 58.543 67.6 347.4 22.4 320 1334 C 6 H 6 A 0.900 55.900 20 11.6 -1.5 1.158E-03 3322584769.39062 355.70 15.9 15.9 12.060 67.960 58.586 71.9 346.2 18.1 320 1334 C 6 H 6 A 0.950 55.950 20 14.5 1.8 9.841E-04 3322584774.71875 355.70 18.8 18.8 12.060 68.010 58.629 70.0 337.9 20.0 320 1334 C 6 H 6 A 1.000 56.000 20 27.7 2.3 4.493E-04 3322584780.04687 355.70 32.0 32.0 12.060 68.060 58.672 57.4 328.5 32.6 320 1334 C 6 H 6 A 1.050 56.050 20 27.6 -10.0 2.552E-04 3322584785.37500 355.70 31.9 31.9 12.060 68.110 58.716 55.6 339.3 34.4 320 1334 C 6 H 6 A 1.100 56.100 20 10.9 -19.2 2.082E-04 3322584790.68750 355.70 15.2 15.2 12.060 68.160 58.759 66.6 7.5 23.4 320 1334 C 6 H 6 A 1.150 56.150 20 15.4 -49.7 7.812E-05 3322584796.01562 355.70 19.7 19.7 12.060 68.210 58.802 47.1 22.8 42.9 320 1334 C 6 H 6 A 1.200 56.200 20 128.3 -84.1 4.021E-05 3322584801.34375 355.70 132.6 132.6 12.060 68.260 58.845 -15.8 39.1 105.8 320 1334 C 6 H 6 A 1.250 56.250 20 29.0 -35.9 6.165E-05 3322584806.65625 355.70 33.3 33.3 12.060 68.310 58.888 47.0 358.9 43.0 320 1334 C 6 H 6 A 1.300 56.300 20 34.3 -71.6 6.264E-05 3322584811.98437 355.70 38.6 38.6 12.060 68.360 58.931 18.2 26.7 71.8 320 1334 C 6 H 6 A 1.350 56.350 20 178.0 -57.5 1.354E-04 3322584817.31250 355.70 182.3 182.3 12.060 68.410 58.974 -59.8 51.6 149.8 320 1334 C 6 H 6 A 1.400 56.400 20 171.8 -38.7 2.221E-04 3322584822.64062 355.70 176.1 176.1 12.060 68.460 59.017 -75.7 33.3 165.7 320 1334 C 6 H 7 A 0.100 56.600 20 201.3 -29.3 6.752E-05 3322587905.60937 355.70 205.6 205.6 12.060 68.660 59.190 -63.8 118.6 153.8 320 1334 C 6 H 7 A 0.150 56.650 20 198.4 -33.1 1.083E-04 3322587910.93750 355.70 202.7 202.7 12.060 68.710 59.233 -65.7 111.3 155.7 320 1334 C 6 H 7 A 0.200 56.700 20 197.8 -20.5 2.145E-04 3322587916.25000 355.70 202.1 202.1 12.060 68.760 59.276 -68.0 129.5 158.0 320 1334 C 6 H 7 A 0.250 56.750 20 195.2 -10.9 3.409E-04 3322587921.57812 355.70 199.5 199.5 12.060 68.810 59.319 -70.5 144.2 160.5 320 1334 C 6 H 7 A 0.300 56.800 20 194.9 -8.8 4.454E-04 3322587926.90625 355.70 199.2 199.2 12.060 68.860 59.362 -70.6 147.5 160.6 320 1334 C 6 H 7 A 0.350 56.850 20 197.8 -14.2 4.275E-04 3322587932.23437 355.70 202.1 202.1 12.060 68.910 59.405 -68.1 138.6 158.1 320 1334 C 6 H 7 A 0.400 56.900 20 198.2 -17.8 4.270E-04 3322587937.56250 355.70 202.5 202.5 12.060 68.960 59.448 -67.7 133.5 157.7 320 1334 C 6 H 7 A 0.450 56.950 20 204.2 -11.6 5.533E-04 3322587942.89062 355.70 208.5 208.5 12.060 69.010 59.491 -61.6 140.5 151.6 320 1334 C 6 H 7 A 0.500 57.000 20 201.2 -9.9 6.162E-04 3322587948.21875 355.70 205.5 205.5 12.060 69.060 59.534 -64.5 143.2 154.5 320 1334 C 7 H 2 A 0.475 58.975 20 321.9 -8.4 8.082E-04 3322593615.59375 107.30 214.6 214.6 12.060 71.035 61.237 -55.4 142.2 145.4 320 1334 C 7 H 2 A 0.500 59.000 20 323.4 -2.3 5.369E-04 3322593620.53125 107.30 216.1 216.1 12.060 71.060 61.259 -53.4 147.0 143.4 320 1334 C 7 H 2 A 0.525 59.025 20 301.1 4.1 6.033E-04 3322593625.45312 107.30 193.8 193.8 12.060 71.085 61.280 -73.0 173.6 163.0 320 1334 C 7 H 2 A 0.550 59.050 20 299.3 9.6 5.601E-04 3322593630.39062 107.30 192.0 192.0 12.060 71.110 61.302 -72.5 184.6 162.5 320 1334 C 7 H 2 A 0.575 59.075 20 295.3 15.9 4.581E-04 3322593635.31250 107.30 188.0 188.0 12.060 71.135 61.323 -72.0 201.5 162.0 320 1334 C 7 H 2 A 0.600 59.100 20 296.8 21.2 4.252E-04 3322593640.25000 107.30 189.5 189.5 12.060 71.160 61.345 -68.8 201.4 158.8 320 1334 C 7 H 2 A 0.625 59.125 20 288.6 21.2 4.330E-04 3322593645.18750 107.30 181.3 181.3 12.060 71.185 61.366 -71.0 224.1 161.0 320 1334 C 7 H 2 A 0.650 59.150 20 270.3 16.3 4.655E-04 3322593650.10937 107.30 163.0 163.0 12.060 71.210 61.388 -66.5 274.5 156.5 320 1334 C 7 H 2 A 0.675 59.175 20 267.0 8.0 4.623E-04 3322593655.04687 107.30 159.7 159.7 12.060 71.235 61.409 -66.5 288.1 156.5 320 1334 C 7 H 2 A 0.700 59.200 20 264.2 -0.2 4.801E-04 3322593659.98437 107.30 156.9 156.9 12.060 71.260 61.431 -65.7 300.2 155.7 320 1334 C 7 H 2 A 0.725 59.225 20 268.0 -6.4 4.947E-04 3322593664.90625 107.30 160.7 160.7 12.060 71.285 61.453 -70.2 305.1 160.2 320 1334 C 7 H 2 A 0.750 59.250 20 273.3 -9.6 5.094E-04 3322593669.84375 107.30 166.0 166.0 12.060 71.310 61.474 -75.7 306.1 165.7 320 1334 C 7 H 2 A 0.775 59.275 20 280.3 -10.7 5.311E-04 3322593674.78125 107.30 173.0 173.0 12.060 71.335 61.496 -82.6 297.9 172.6 320 1334 C 7 H 2 A 0.800 59.300 20 283.2 -9.9 5.397E-04 3322593679.71875 107.30 175.9 175.9 12.060 71.360 61.517 -84.9 281.8 174.9 320 1334 C 7 H 2 A 0.825 59.325 20 285.4 -8.4 5.733E-04 3322593684.65625 107.30 178.1 178.1 12.060 71.385 61.539 -85.8 254.7 175.8 320 1334 C 7 H 2 A 0.850 59.350 20 280.8 -9.0 6.056E-04 3322593689.57812 107.30 173.5 173.5 12.060 71.410 61.560 -82.7 290.2 172.7 320 1334 C 7 H 2 A 0.875 59.375 20 276.4 -8.9 5.666E-04 3322593694.51562 107.30 169.1 169.1 12.060 71.435 61.582 -78.6 300.7 168.6 320 1334 C 7 H 2 A 0.900 59.400 20 271.3 -7.0 4.796E-04 3322593699.45312 107.30 164.0 164.0 12.060 71.460 61.603 -73.5 303.2 163.5 320 1334 C 7 H 2 A 0.925 59.425 20 270.8 -6.1 3.795E-04 3322593704.37500 107.30 163.5 163.5 12.060 71.485 61.625 -72.9 302.2 162.9 320 1334 C 7 H 2 A 0.950 59.450 20 270.4 -7.6 2.838E-04 3322593709.31250 107.30 163.1 163.1 12.060 71.510 61.647 -72.7 305.0 162.7 320 1334 C 7 H 2 A 0.975 59.475 20 266.3 -8.7 1.879E-04 3322593714.25000 107.30 159.0 159.0 12.060 71.535 61.668 -68.8 309.4 158.8 320 1334 C 7 H 2 A 1.000 59.500 20 261.3 -4.3 1.366E-04 3322593719.18750 107.30 154.0 154.0 12.060 71.560 61.690 -63.5 306.7 153.5 320 1334 C 7 H 2 A 1.025 59.525 20 264.7 -1.5 1.243E-04 3322593724.10937 107.30 157.4 157.4 12.060 71.585 61.711 -66.3 301.3 156.3 320 1334 C 7 H 2 A 1.050 59.550 20 265.0 -3.0 1.965E-04 3322593729.04687 107.30 157.7 157.7 12.060 71.610 61.733 -66.9 302.9 156.9 320 1334 C 7 H 2 A 1.075 59.575 20 269.7 -5.0 2.739E-04 3322593733.98437 107.30 162.4 162.4 12.060 71.635 61.754 -71.6 301.6 161.6 320 1334 C 7 H 2 A 1.100 59.600 20 268.3 -5.0 4.189E-04 3322593738.90625 107.30 161.0 161.0 12.060 71.660 61.776 -70.3 302.9 160.3 320 1334 C 7 H 2 A 1.125 59.625 20 271.5 -4.7 5.397E-04 3322593743.84375 107.30 164.2 164.2 12.060 71.685 61.797 -73.3 299.1 163.3 320 1334 C 7 H 2 A 1.150 59.650 20 265.4 -4.4 5.997E-04 3322593748.78125 107.30 158.1 158.1 12.060 71.710 61.819 -67.4 304.3 157.4 320 1334 C 7 H 2 A 1.175 59.675 20 268.2 -5.5 5.655E-04 3322593753.70312 107.30 160.9 160.9 12.060 71.735 61.841 -70.3 303.7 160.3 320 1334 C 7 H 2 A 1.200 59.700 20 268.3 -7.7 4.048E-04 3322593758.64062 107.30 161.0 161.0 12.060 71.760 61.862 -70.7 306.8 160.7 320 1334 C 7 H 2 A 1.225 59.725 20 272.4 -7.3 2.685E-04 3322593763.57812 107.30 165.1 165.1 12.060 71.785 61.884 -74.6 302.6 164.6 320 1334 C 7 H 2 A 1.250 59.750 20 277.9 -5.2 1.564E-04 3322593768.50000 107.30 170.6 170.6 12.060 71.810 61.905 -79.2 288.6 169.2 320 1334 C 7 H 2 A 1.275 59.775 20 292.0 0.0 1.033E-04 3322593773.43750 107.30 184.7 184.7 12.060 71.835 61.927 -80.7 197.5 170.7 320 1334 C 7 H 2 A 1.300 59.800 20 286.9 7.6 7.478E-05 3322593778.37500 107.30 179.6 179.6 12.060 71.860 61.948 -78.2 230.0 168.2 320 1334 C 7 H 2 A 1.325 59.825 20 248.2 23.3 5.669E-05 3322593783.31250 107.30 140.9 140.9 12.060 71.885 61.970 -46.2 291.0 136.2 320 1334 C 7 H 2 A 1.350 59.850 20 265.9 52.6 2.880E-05 3322593788.23437 107.30 158.6 158.6 12.060 71.910 61.991 -44.1 253.2 134.1 320 1334 C 7 H 2 A 1.375 59.875 20 224.2 26.2 5.096E-05 3322593793.17187 107.30 116.9 116.9 12.060 71.935 62.013 -23.7 299.1 113.7 320 1334 C 7 H 2 A 1.400 59.900 20 264.6 17.9 6.858E-05 3322593798.10937 107.30 157.3 157.3 12.060 71.960 62.034 -61.6 281.3 151.6 320 1334 C 7 H 2 A 1.425 59.925 20 258.9 14.6 1.015E-04 3322593803.03125 107.30 151.6 151.6 12.060 71.985 62.056 -57.8 290.2 147.8 320 1334 C 7 H 3 A 0.075 60.075 20 279.0 -11.7 2.640E-04 3322594842.17187 107.30 171.7 171.7 12.060 72.135 62.185 -81.5 304.3 171.5 320 1334 C 7 H 3 A 0.100 60.100 20 277.2 -12.1 3.144E-04 3322594847.10937 107.30 169.9 169.9 12.060 72.160 62.207 -79.8 308.0 169.8 320 1334 C 7 H 3 A 0.125 60.125 20 292.4 -12.0 3.620E-04 3322594852.03125 107.30 185.1 185.1 12.060 72.185 62.228 -84.6 158.6 174.6 320 1334 C 7 H 3 A 0.150 60.150 20 285.4 -11.1 3.756E-04 3322594856.96875 107.30 178.1 178.1 12.060 72.210 62.250 -87.0 266.3 177.0 320 1334 C 7 H 3 A 0.175 60.175 20 288.3 -11.0 3.741E-04 3322594861.90625 107.30 181.0 181.0 12.060 72.235 62.272 -87.4 205.9 177.4 320 1334 C 7 H 3 A 0.200 60.200 20 281.5 -11.2 3.357E-04 3322594866.82812 107.30 174.2 174.2 12.060 72.260 62.293 -83.8 296.2 173.8 320 1334 C 7 H 3 A 0.225 60.225 20 279.1 -10.4 3.526E-04 3322594871.76562 107.30 171.8 171.8 12.060 72.285 62.315 -81.4 299.8 171.4 320 1334 C 7 H 3 A 0.250 60.250 20 274.1 -9.4 3.758E-04 3322594876.70312 107.30 166.8 166.8 12.060 72.310 62.336 -76.5 304.8 166.5 320 1334 C 7 H 3 A 0.275 60.275 20 274.8 -8.7 3.788E-04 3322594881.62500 107.30 167.5 167.5 12.060 72.335 62.358 -77.1 302.5 167.1 320 1334 C 7 H 3 A 0.300 60.300 20 278.0 -7.9 3.625E-04 3322594886.56250 107.30 170.7 170.7 12.060 72.360 62.379 -79.9 295.0 169.9 320 1334 C 7 H 3 A 0.325 60.325 20 282.2 -6.6 3.395E-04 3322594891.50000 107.30 174.9 174.9 12.060 72.385 62.401 -83.1 275.6 173.1 320 1334 C 7 H 3 A 0.350 60.350 20 276.5 -7.5 2.844E-04 3322594896.43750 107.30 169.2 169.2 12.060 72.410 62.422 -78.5 297.1 168.5 320 1334 C 7 H 3 A 0.375 60.375 20 272.3 -12.2 2.251E-04 3322594901.35937 107.30 165.0 165.0 12.060 72.435 62.444 -75.0 312.0 165.0 320 1334 C 7 H 3 A 0.400 60.400 20 280.2 -14.2 1.441E-04 3322594906.28125 107.30 172.9 172.9 12.060 72.460 62.466 -82.9 312.1 172.9 320 1334 C 7 H 3 A 0.425 60.425 20 277.9 2.1 1.699E-04 3322594911.21875 107.30 170.6 170.6 12.060 72.485 62.487 -77.0 274.4 167.0 320 1334 C 7 H 3 A 0.450 60.450 20 279.6 1.0 2.742E-04 3322594916.15625 107.30 172.3 172.3 12.060 72.510 62.509 -78.6 270.5 168.6 320 1334 C 7 H 3 A 0.475 60.475 20 273.8 -4.5 3.165E-04 3322594921.07812 107.30 166.5 166.5 12.060 72.535 62.530 -75.4 295.6 165.4 320 1334 C 7 H 3 A 0.500 60.500 20 274.1 -6.8 3.277E-04 3322594926.01562 107.30 166.8 166.8 12.060 72.560 62.552 -76.1 299.5 166.1 320 1334 C 7 H 3 A 0.525 60.525 20 269.9 -7.9 3.247E-04 3322594930.93750 107.30 162.6 162.6 12.060 72.585 62.573 -72.2 305.9 162.2 320 1334 C 7 H 3 A 0.550 60.550 20 277.9 -8.4 3.129E-04 3322594935.87500 107.30 170.6 170.6 12.060 72.610 62.595 -79.9 296.6 169.9 320 1334 C 7 H 3 A 0.575 60.575 20 275.4 -7.8 2.776E-04 3322594940.79687 107.30 168.1 168.1 12.060 72.635 62.616 -77.5 299.7 167.5 320 1334 C 7 H 3 A 0.600 60.600 20 276.2 -8.8 2.039E-04 3322594945.73437 107.30 168.9 168.9 12.060 72.660 62.638 -78.4 300.7 168.4 320 1334 C 7 H 3 A 0.625 60.625 20 282.8 -12.0 1.411E-04 3322594950.65625 107.30 175.5 175.5 12.060 72.685 62.659 -85.1 294.9 175.1 320 1334 C 7 H 3 A 0.650 60.650 20 250.8 -17.5 8.789E-05 3322594955.59375 107.30 143.5 143.5 12.060 72.710 62.681 -53.9 322.3 143.9 320 1334 C 7 H 3 A 0.675 60.675 20 297.7 -34.7 5.074E-05 3322594960.53125 107.30 190.4 190.4 12.060 72.735 62.703 -75.0 89.3 165.0 320 1334 C 7 H 3 A 0.700 60.700 20 254.7 -37.0 4.774E-05 3322594965.45312 107.30 147.4 147.4 12.060 72.760 62.724 -56.1 343.4 146.1 320 1334 C 7 H 3 A 0.725 60.725 20 231.0 -15.8 9.138E-05 3322594970.39062 107.30 123.7 123.7 12.060 72.785 62.746 -34.3 322.4 124.3 320 1334 C 7 H 3 A 0.750 60.750 20 255.2 -7.9 1.389E-04 3322594975.32812 107.30 147.9 147.9 12.060 72.810 62.767 -57.8 312.7 147.8 320 1334 C 7 H 3 A 0.775 60.775 20 241.6 -1.8 1.899E-04 3322594980.25000 107.30 134.3 134.3 12.060 72.835 62.789 -43.9 311.5 133.9 320 1334 C 7 H 3 A 0.800 60.800 20 246.6 -2.1 1.673E-04 3322594985.18750 107.30 139.3 139.3 12.060 72.860 62.810 -48.9 310.4 138.9 320 1334 C 7 H 3 A 0.825 60.825 20 258.3 -5.0 1.089E-04 3322594990.12500 107.30 151.0 151.0 12.060 72.885 62.832 -60.6 308.8 150.6 320 1334 C 7 H 3 A 0.850 60.850 20 254.8 -5.9 8.439E-05 3322594995.04687 107.30 147.5 147.5 12.060 72.910 62.853 -57.3 311.0 147.3 320 1334 C 7 H 3 A 0.875 60.875 20 286.0 -8.4 5.218E-05 3322594999.98437 107.30 178.7 178.7 12.060 72.935 62.875 -86.0 247.0 176.0 320 1334 C 7 H 3 A 0.900 60.900 20 252.4 -13.4 3.517E-05 3322595004.92187 107.30 145.1 145.1 12.060 72.960 62.897 -55.4 318.4 145.4 320 1334 C 7 H 3 A 0.925 60.925 20 250.9 -12.4 4.485E-05 3322595009.85937 107.30 143.6 143.6 12.060 72.985 62.918 -53.9 317.7 143.9 320 1334 C 7 H 3 A 0.950 60.950 20 266.8 -12.0 5.076E-05 3322595014.78125 107.30 159.5 159.5 12.060 73.010 62.940 -69.6 313.9 159.6 320 1334 C 7 H 3 A 0.975 60.975 20 273.1 -11.1 7.831E-05 3322595019.71875 107.30 165.8 165.8 12.060 73.035 62.961 -75.7 309.3 165.7 320 1334 C 7 H 3 A 1.000 61.000 20 268.6 -15.6 9.741E-05 3322595024.65625 107.30 161.3 161.3 12.060 73.060 62.983 -71.5 319.2 161.5 320 1334 C 7 H 3 A 1.025 61.025 20 275.6 -16.1 1.508E-04 3322595029.59375 107.30 168.3 168.3 12.060 73.085 63.004 -78.4 319.9 168.4 320 1334 C 7 H 3 A 1.050 61.050 20 268.8 -13.8 2.542E-04 3322595034.51562 107.30 161.5 161.5 12.060 73.110 63.026 -71.6 316.2 161.6 320 1334 C 7 H 3 A 1.075 61.075 20 275.2 -12.1 3.342E-04 3322595039.45312 107.30 167.9 167.9 12.060 73.135 63.047 -77.9 309.9 167.9 320 1334 C 7 H 3 A 1.100 61.100 20 274.1 -8.8 3.957E-04 3322595044.39062 107.30 166.8 166.8 12.060 73.160 63.069 -76.4 303.6 166.4 320 1334 C 7 H 3 A 1.125 61.125 20 278.2 -6.6 3.862E-04 3322595049.31250 107.30 170.9 170.9 12.060 73.185 63.091 -79.8 291.2 169.8 320 1334 C 7 H 3 A 1.150 61.150 20 282.3 -6.1 3.523E-04 3322595054.25000 107.30 175.0 175.0 12.060 73.210 63.112 -83.0 273.5 173.0 320 1334 C 7 H 3 A 1.175 61.175 20 279.9 -8.0 3.165E-04 3322595059.17187 107.30 172.6 172.6 12.060 73.235 63.134 -81.6 290.1 171.6 320 1334 C 7 H 3 A 1.200 61.200 20 279.5 -11.6 2.699E-04 3322595064.10937 107.30 172.2 172.2 12.060 73.260 63.155 -82.0 303.1 172.0 320 1334 C 7 H 3 A 1.225 61.225 20 274.7 -14.4 2.141E-04 3322595069.04687 107.30 167.4 167.4 12.060 73.285 63.177 -77.5 315.7 167.5 320 1334 C 7 H 3 A 1.250 61.250 20 277.1 -14.1 1.726E-04 3322595073.98437 107.30 169.8 169.8 12.060 73.310 63.198 -79.9 314.0 169.9 320 1334 C 7 H 3 A 1.275 61.275 20 265.4 -6.6 1.284E-04 3322595078.90625 107.30 158.1 158.1 12.060 73.335 63.220 -67.7 307.1 157.7 320 1334 C 7 H 3 A 1.300 61.300 20 262.3 2.7 9.729E-05 3322595083.84375 107.30 155.0 155.0 12.060 73.360 63.241 -63.4 298.6 153.4 320 1334 C 7 H 3 A 1.325 61.325 20 242.4 3.1 9.575E-05 3322595088.78125 107.30 135.1 135.1 12.060 73.385 63.263 -44.2 308.0 134.2 320 1334 C 7 H 3 A 1.350 61.350 20 224.8 -4.3 8.226E-05 3322595093.70312 107.30 117.5 117.5 12.060 73.410 63.284 -27.5 316.3 117.5 320 1334 C 7 H 3 A 1.375 61.375 20 257.4 -12.0 7.563E-05 3322595098.64062 107.30 150.1 150.1 12.060 73.435 63.306 -60.3 316.3 150.3 320 1334 C 7 H 3 A 1.400 61.400 20 271.1 -17.6 6.528E-05 3322595103.57812 107.30 163.8 163.8 12.060 73.460 63.328 -74.0 322.8 164.0 320 1334 C 7 H 3 A 1.425 61.425 20 270.8 -16.6 5.649E-05 3322595108.50000 107.30 163.5 163.5 12.060 73.485 63.349 -73.7 320.9 163.7 320 1334 C 7 H 4 A 0.075 61.575 20 47.0 29.2 1.181E-04 3322595881.78125 107.30 299.7 -60.3 12.060 73.635 63.478 30.7 151.5 59.3 320 1334 C 7 H 4 A 0.100 61.600 20 341.7 34.0 1.200E-04 3322595886.71875 107.30 234.4 234.4 12.060 73.660 63.500 -30.1 165.1 120.1 320 1334 C 7 H 4 A 0.125 61.625 20 327.3 6.2 1.715E-04 3322595891.64062 107.30 220.0 220.0 12.060 73.685 63.522 -48.6 152.0 138.6 320 1334 C 7 H 4 A 0.150 61.650 20 304.7 -9.7 8.292E-05 3322595896.57812 107.30 197.4 197.4 12.060 73.710 63.543 -72.4 147.2 162.4 320 1334 C 7 H 4 A 0.175 61.675 20 61.4 -52.2 1.701E-05 3322595901.51562 107.30 314.1 -45.9 12.060 73.735 63.565 30.3 92.4 59.8 320 1334 C 7 H 4 A 0.200 61.700 20 112.0 8.3 6.215E-05 3322595906.45312 107.30 4.7 4.7 12.060 73.760 63.586 84.0 357.1 6.0 320 1334 C 7 H 4 A 0.225 61.725 20 123.1 19.3 6.702E-05 3322595911.37500 107.30 15.8 15.8 12.060 73.785 63.608 74.3 309.8 15.7 320 1334 C 7 H 4 A 0.250 61.750 20 136.0 14.7 6.689E-05 3322595916.31250 107.30 28.7 28.7 12.060 73.810 63.629 61.6 317.1 28.4 320 1334 C 7 H 4 A 0.275 61.775 20 121.9 10.0 6.525E-05 3322595921.25000 107.30 14.6 14.6 12.060 73.835 63.651 75.2 328.7 14.8 320 1334 C 7 H 4 A 0.300 61.800 20 110.2 11.7 7.255E-05 3322595926.18750 107.30 2.9 2.9 12.060 73.860 63.672 86.4 353.8 3.6 320 1334 C 7 H 4 A 0.325 61.825 20 117.9 14.3 8.782E-05 3322595931.10937 107.30 10.6 10.6 12.060 73.885 63.694 79.5 321.3 10.5 320 1334 C 7 H 4 A 0.350 61.850 20 93.3 27.1 7.432E-05 3322595936.04687 107.30 346.0 -14.0 12.060 73.910 63.716 74.9 164.1 15.1 320 1334 C 7 H 4 A 0.375 61.875 20 109.4 36.4 9.651E-05 3322595940.98437 107.30 2.1 2.1 12.060 73.935 63.737 77.6 237.2 12.4 320 1334 C 7 H 4 A 0.400 61.900 20 90.2 32.3 1.430E-04 3322595945.90625 107.30 342.9 -17.1 12.060 73.960 63.759 70.8 169.5 19.2 320 1334 C 7 H 4 A 0.425 61.925 20 98.9 26.7 1.764E-04 3322595950.84375 107.30 351.6 -8.4 12.060 73.985 63.780 79.7 175.3 10.3 320 1334 C 7 H 4 A 0.450 61.950 20 114.5 19.7 1.990E-04 3322595955.78125 107.30 7.2 7.2 12.060 74.010 63.802 82.6 300.7 7.4 320 1334 C 7 H 4 A 0.475 61.975 20 106.4 12.4 1.974E-04 3322595960.71875 107.30 359.1 -0.9 12.060 74.035 63.823 88.1 75.4 1.9 320 1334 C 7 H 4 A 0.500 62.000 20 116.1 10.9 2.034E-04 3322595965.64062 107.30 8.8 8.8 12.060 74.060 63.845 80.9 333.4 9.1 320 1334 C 7 H 4 A 0.525 62.025 20 113.2 15.8 1.572E-04 3322595970.57812 107.30 5.9 5.9 12.060 74.085 63.866 84.2 317.1 5.8 320 1334 C 7 H 4 A 0.550 62.050 20 113.8 21.7 1.174E-04 3322595975.51562 107.30 6.5 6.5 12.060 74.110 63.888 82.8 290.6 7.2 320 1334 C 7 H 4 A 0.575 62.075 20 141.2 22.4 9.170E-05 3322595980.45312 107.30 33.9 33.9 12.060 74.135 63.909 56.4 309.0 33.6 320 1334 C 7 H 4 A 0.600 62.100 20 148.5 13.9 8.575E-05 3322595985.37500 107.30 41.2 41.2 12.060 74.160 63.931 49.2 316.5 40.8 320 1334 C 7 H 4 A 0.625 62.125 20 130.2 3.7 8.943E-05 3322595990.31250 107.30 22.9 22.9 12.060 74.185 63.953 66.4 331.9 23.6 320 1334 C 7 H 4 A 0.650 62.150 20 146.1 -3.8 8.399E-05 3322595995.25000 107.30 38.8 38.8 12.060 74.210 63.974 50.1 330.7 39.9 320 1334 C 7 H 4 A 0.675 62.175 20 141.6 -3.0 7.150E-05 3322596000.18750 107.30 34.3 34.3 12.060 74.235 63.996 54.5 332.1 35.5 320 1334 C 7 H 4 A 0.700 62.200 20 135.4 7.8 6.742E-05 3322596005.10937 107.30 28.1 28.1 12.060 74.260 64.017 61.8 324.7 28.2 320 1334 C 7 H 4 A 0.725 62.225 20 136.0 13.6 9.723E-05 3322596010.04687 107.30 28.7 28.7 12.060 74.285 64.039 61.5 318.3 28.5 320 1334 C 7 H 4 A 0.750 62.250 20 131.7 17.9 1.184E-04 3322596014.98437 107.30 24.4 24.4 12.060 74.310 64.060 65.9 313.4 24.2 320 1334 C 7 H 4 A 0.775 62.275 20 133.4 15.5 1.627E-04 3322596019.90625 107.30 26.1 26.1 12.060 74.335 64.082 64.2 316.4 25.9 320 1334 C 7 H 4 A 0.800 62.300 20 119.3 11.6 2.035E-04 3322596024.84375 107.30 12.0 12.0 12.060 74.360 64.103 77.9 327.5 12.1 320 1334 C 7 H 4 A 0.825 62.325 20 112.5 7.6 2.735E-04 3322596029.78125 107.30 5.2 5.2 12.060 74.385 64.125 83.4 356.7 6.7 320 1334 C 7 H 4 A 0.850 62.350 20 113.8 6.2 3.272E-04 3322596034.70312 107.30 6.5 6.5 12.060 74.410 64.147 81.9 354.8 8.1 320 1334 C 7 H 4 A 0.875 62.375 20 110.8 6.1 3.521E-04 3322596039.64062 107.30 3.5 3.5 12.060 74.435 64.168 84.0 12.7 6.1 320 1334 C 7 H 4 A 0.900 62.400 20 112.4 5.1 3.411E-04 3322596044.57812 107.30 5.1 5.1 12.060 74.460 64.190 82.6 4.8 7.4 320 1334 C 7 H 4 A 0.925 62.425 20 110.1 1.1 3.034E-04 3322596049.50000 107.30 2.8 2.8 12.060 74.485 64.211 82.0 27.4 8.0 320 1334 C 7 H 4 A 0.950 62.450 20 108.7 -3.2 2.599E-04 3322596054.43750 107.30 1.4 1.4 12.060 74.510 64.233 80.3 39.7 9.7 320 1334 C 7 H 4 A 0.975 62.475 20 109.8 -5.5 2.723E-04 3322596059.37500 107.30 2.5 2.5 12.060 74.535 64.254 79.0 34.9 11.0 320 1334 C 7 H 4 A 1.000 62.500 20 114.2 -4.5 4.356E-04 3322596064.31250 107.30 6.9 6.9 12.060 74.560 64.276 77.7 13.9 12.4 320 1334 C 7 H 4 A 1.025 62.525 20 115.9 -4.4 6.689E-04 3322596069.23437 107.30 8.6 8.6 12.060 74.585 64.297 76.7 7.6 13.3 320 1334 C 7 H 4 A 1.050 62.550 20 109.3 -2.6 1.279E-03 3322596074.17187 107.30 2.0 2.0 12.060 74.610 64.319 80.5 35.8 9.5 320 1334 C 7 H 4 A 1.075 62.575 20 112.0 -3.1 1.113E-03 3322596079.10937 107.30 4.7 4.7 12.060 74.635 64.341 79.4 21.7 10.6 320 1334 C 7 H 4 A 1.100 62.600 20 113.5 -3.3 1.094E-03 3322596084.03125 107.30 6.2 6.2 12.060 74.660 64.362 78.5 15.1 11.5 320 1334 C 7 H 4 A 1.125 62.625 20 111.9 -3.3 9.521E-04 3322596088.96875 107.30 4.6 4.6 12.060 74.685 64.384 79.3 22.4 10.7 320 1334 C 7 H 4 A 1.150 62.650 20 111.0 -2.6 8.291E-04 3322596093.90625 107.30 3.7 3.7 12.060 74.710 64.405 80.0 26.2 10.0 320 1334 C 7 H 4 A 1.175 62.675 20 112.4 -2.9 6.678E-04 3322596098.82812 107.30 5.1 5.1 12.060 74.735 64.427 79.3 19.5 10.7 320 1334 C 7 H 4 A 1.200 62.700 20 112.8 -4.1 5.097E-04 3322596103.76562 107.30 5.5 5.5 12.060 74.760 64.448 78.6 19.2 11.5 320 1334 C 7 H 4 A 1.225 62.725 20 113.3 -5.8 3.465E-04 3322596108.68750 107.30 6.0 6.0 12.060 74.785 64.470 77.6 19.0 12.4 320 1334 C 7 H 4 A 1.250 62.750 20 114.1 -6.9 2.438E-04 3322596113.62500 107.30 6.8 6.8 12.060 74.810 64.491 76.7 17.2 13.3 320 1334 C 7 H 4 A 1.275 62.775 20 115.4 -6.2 1.612E-04 3322596118.54687 107.30 8.1 8.1 12.060 74.835 64.513 76.3 11.7 13.7 320 1334 C 7 H 4 A 1.300 62.800 20 124.9 0.4 1.315E-04 3322596123.48437 107.30 17.6 17.6 12.060 74.860 64.534 70.8 341.2 19.2 320 1334 C 7 H 4 A 1.325 62.825 20 118.4 5.9 8.361E-05 3322596128.40625 107.30 11.1 11.1 12.060 74.885 64.556 77.9 342.0 12.1 320 1334 C 7 H 4 A 1.350 62.850 20 96.2 3.6 4.875E-05 3322596133.34375 107.30 348.9 -11.1 12.060 74.910 64.578 77.3 109.3 12.7 320 1334 C 7 H 4 A 1.375 62.875 20 270.3 -0.8 4.081E-04 3322596138.28125 107.30 163.0 163.0 12.060 74.935 64.599 -71.4 294.7 161.4 320 1334 C 7 H 4 A 1.400 62.900 20 256.9 -14.9 8.951E-05 3322596143.20312 107.30 149.6 149.6 12.060 74.960 64.621 -59.9 319.4 149.9 320 1334 C 7 H 4 A 1.425 62.925 20 267.9 -22.6 1.573E-04 3322596148.14062 107.30 160.6 160.6 12.060 74.985 64.642 -70.5 330.7 160.5 320 1334 C 7 H 5 A 0.075 63.075 20 293.0 -11.6 5.559E-04 3322597244.78125 107.30 185.7 185.7 12.060 75.135 64.772 -84.0 158.4 174.0 320 1334 C 7 H 5 A 0.100 63.100 20 300.4 -12.4 5.470E-04 3322597249.71875 107.30 193.1 193.1 12.060 75.160 64.793 -76.9 144.7 166.9 320 1334 C 7 H 5 A 0.125 63.125 20 296.1 -13.5 4.840E-04 3322597254.65625 107.30 188.8 188.8 12.060 75.185 64.815 -81.2 145.0 171.2 320 1334 C 7 H 5 A 0.150 63.150 20 297.3 -14.0 3.946E-04 3322597259.57812 107.30 190.0 190.0 12.060 75.210 64.836 -80.1 142.5 170.1 320 1334 C 7 H 5 A 0.175 63.175 20 299.3 -10.0 3.193E-04 3322597264.51562 107.30 192.0 192.0 12.060 75.235 64.858 -77.7 151.2 167.7 320 1334 C 7 H 5 A 0.200 63.200 20 300.0 -0.7 3.175E-04 3322597269.45312 107.30 192.7 192.7 12.060 75.260 64.879 -75.2 168.6 165.2 320 1334 C 7 H 5 A 0.225 63.225 20 299.8 4.0 3.489E-04 3322597274.37500 107.30 192.5 192.5 12.060 75.285 64.901 -74.0 176.3 164.0 320 1334 C 7 H 5 A 0.250 63.250 20 300.0 5.9 3.780E-04 3322597279.31250 107.30 192.7 192.7 12.060 75.310 64.922 -73.3 178.4 163.3 320 1334 C 7 H 5 A 0.275 63.275 20 301.0 6.6 4.046E-04 3322597284.25000 107.30 193.7 193.7 12.060 75.335 64.944 -72.3 177.1 162.3 320 1334 C 7 H 5 A 0.300 63.300 20 299.4 7.7 3.692E-04 3322597289.18750 107.30 192.1 192.1 12.060 75.360 64.966 -73.1 182.1 163.1 320 1334 C 7 H 5 A 0.325 63.325 20 294.9 9.2 2.840E-04 3322597294.10937 107.30 187.6 187.6 12.060 75.385 64.987 -75.3 196.8 165.3 320 1334 C 7 H 5 A 0.350 63.350 20 283.9 8.0 2.255E-04 3322597299.04687 107.30 176.6 176.6 12.060 75.410 65.009 -77.5 243.9 167.5 320 1334 C 7 H 5 A 0.375 63.375 20 294.5 3.1 2.286E-04 3322597303.98437 107.30 187.2 187.2 12.060 75.435 65.030 -78.1 190.8 168.1 320 1334 C 7 H 5 A 0.400 63.400 20 293.5 -1.6 2.478E-04 3322597308.90625 107.30 186.2 186.2 12.060 75.460 65.052 -80.5 187.1 170.5 320 1334 C 7 H 5 A 0.425 63.425 20 291.6 -3.8 2.875E-04 3322597313.84375 107.30 184.3 184.3 12.060 75.485 65.073 -82.6 192.7 172.6 320 1334 C 7 H 5 A 0.450 63.450 20 301.4 -4.1 3.443E-04 3322597318.78125 107.30 194.1 194.1 12.060 75.510 65.095 -74.8 160.2 164.8 320 1334 C 7 H 5 A 0.475 63.475 20 289.1 -3.0 3.454E-04 3322597323.71875 107.30 181.8 181.8 12.060 75.535 65.116 -83.3 212.5 173.3 320 1334 C 7 H 5 A 0.500 63.500 20 293.3 -3.3 4.019E-04 3322597328.64062 107.30 186.0 186.0 12.060 75.560 65.138 -81.3 184.5 171.3 320 1334 C 7 H 5 A 0.525 63.525 20 297.3 -5.0 4.535E-04 3322597333.57812 107.30 190.0 190.0 12.060 75.585 65.159 -78.6 166.4 168.6 320 1334 C 7 H 5 A 0.550 63.550 20 294.1 -5.8 4.687E-04 3322597338.51562 107.30 186.8 186.8 12.060 75.610 65.181 -81.5 174.6 171.5 320 1334 C 7 H 5 A 0.575 63.575 20 298.7 -5.5 4.836E-04 3322597343.45312 107.30 191.4 191.4 12.060 75.635 65.203 -77.5 162.2 167.5 320 1334 C 7 H 5 A 0.600 63.600 20 300.6 -4.7 4.557E-04 3322597348.37500 107.30 193.3 193.3 12.060 75.660 65.224 -75.6 160.4 165.6 320 1334 C 7 H 5 A 0.625 63.625 20 295.4 -1.8 4.207E-04 3322597353.31250 107.30 188.1 188.1 12.060 75.685 65.246 -79.3 179.0 169.3 320 1334 C 7 H 5 A 0.650 63.650 20 301.2 0.6 4.255E-04 3322597358.25000 107.30 193.9 193.9 12.060 75.710 65.267 -73.9 168.3 163.9 320 1334 C 7 H 5 A 0.675 63.675 20 299.5 1.8 4.284E-04 3322597363.17187 107.30 192.2 192.2 12.060 75.735 65.289 -74.9 173.7 164.9 320 1334 C 7 H 5 A 0.700 63.700 20 297.9 0.5 4.813E-04 3322597368.10937 107.30 190.6 190.6 12.060 75.760 65.310 -76.6 175.5 166.6 320 1334 C 7 H 5 A 0.725 63.725 20 297.9 -2.7 5.482E-04 3322597373.04687 107.30 190.6 190.6 12.060 75.785 65.332 -77.5 169.7 167.5 320 1334 C 7 H 5 A 0.750 63.750 20 298.0 -4.4 6.602E-04 3322597377.98437 107.30 190.7 190.7 12.060 75.810 65.353 -77.9 166.0 167.9 320 1334 C 7 H 5 A 0.775 63.775 20 298.1 -4.8 7.446E-04 3322597382.90625 107.30 190.8 190.8 12.060 75.835 65.375 -77.9 164.9 167.9 320 1334 C 7 H 5 A 0.800 63.800 20 296.4 -5.6 7.552E-04 3322597387.84375 107.30 189.1 189.1 12.060 75.860 65.397 -79.6 167.4 169.6 320 1334 C 7 H 5 A 0.825 63.825 20 295.5 -6.7 7.636E-04 3322597392.78125 107.30 188.2 188.2 12.060 75.885 65.418 -80.6 167.2 170.6 320 1334 C 7 H 5 A 0.850 63.850 20 296.4 -8.2 7.388E-04 3322597397.71875 107.30 189.1 189.1 12.060 75.910 65.440 -80.2 160.7 170.2 320 1334 C 7 H 5 A 0.875 63.875 20 296.5 -9.0 7.284E-04 3322597402.64062 107.30 189.2 189.2 12.060 75.935 65.461 -80.2 158.3 170.2 320 1334 C 7 H 5 A 0.900 63.900 20 297.6 -6.6 7.712E-04 3322597407.57812 107.30 190.3 190.3 12.060 75.960 65.483 -78.7 162.0 168.7 320 1334 C 7 H 5 A 0.925 63.925 20 297.7 -2.7 8.530E-04 3322597412.51562 107.30 190.4 190.4 12.060 75.985 65.504 -77.7 170.2 167.7 320 1334 C 7 H 5 A 0.950 63.950 20 285.7 -0.3 1.504E-03 3322597417.43750 107.30 178.4 178.4 12.060 76.010 65.526 -82.0 239.6 172.0 320 1334 C 7 H 5 A 0.975 63.975 20 296.2 -0.5 1.045E-03 3322597422.37500 107.30 188.9 188.9 12.060 76.035 65.547 -78.2 178.8 168.2 320 1334 C 7 H 5 A 1.000 64.000 20 295.7 -0.6 1.172E-03 3322597427.35937 107.30 188.4 188.4 12.060 76.060 65.569 -78.6 180.2 168.6 320 1334 C 7 H 5 A 1.025 64.025 20 296.8 -0.4 1.348E-03 3322597432.28125 107.30 189.5 189.5 12.060 76.085 65.591 -77.7 177.1 167.7 320 1334 C 7 H 5 A 1.050 64.050 20 300.0 -0.5 1.480E-03 3322597437.21875 107.30 192.7 192.7 12.060 76.110 65.612 -75.2 168.9 165.2 320 1334 C 7 H 5 A 1.075 64.075 20 297.9 -1.2 1.460E-03 3322597442.15625 107.30 190.6 190.6 12.060 76.135 65.634 -77.1 172.5 167.1 320 1334 C 7 H 5 A 1.100 64.100 20 299.5 -3.0 1.434E-03 3322597447.09375 107.30 192.2 192.2 12.060 76.160 65.655 -76.2 165.5 166.2 320 1334 C 7 H 5 A 1.125 64.125 20 298.5 -4.2 1.395E-03 3322597452.01562 107.30 191.2 191.2 12.060 76.185 65.677 -77.4 165.3 167.4 320 1334 C 7 H 5 A 1.150 64.150 20 298.3 -4.9 1.475E-03 3322597456.95312 107.30 191.0 191.0 12.060 76.210 65.698 -77.7 164.3 167.7 320 1334 C 7 H 5 A 1.175 64.175 20 298.2 -5.9 1.586E-03 3322597461.89062 107.30 190.9 190.9 12.060 76.235 65.720 -78.0 162.4 168.0 320 1334 C 7 H 5 A 1.200 64.200 20 298.2 -7.0 1.688E-03 3322597466.82812 107.30 190.9 190.9 12.060 76.260 65.741 -78.3 159.9 168.3 320 1334 C 7 H 5 A 1.225 64.225 20 297.7 -7.3 1.693E-03 3322597471.75000 107.30 190.4 190.4 12.060 76.285 65.763 -78.8 160.2 168.8 320 1334 C 7 H 5 A 1.250 64.250 20 298.0 -6.5 1.660E-03 3322597476.68750 107.30 190.7 190.7 12.060 76.310 65.784 -78.4 161.4 168.4 320 1334 C 7 H 5 A 1.275 64.275 20 297.7 -5.4 1.571E-03 3322597481.62500 107.30 190.4 190.4 12.060 76.335 65.806 -78.4 164.6 168.4 320 1334 C 7 H 5 A 1.300 64.300 20 297.3 -3.4 1.493E-03 3322597486.56250 107.30 190.0 190.0 12.060 76.360 65.828 -78.2 169.8 168.2 320 1334 C 7 H 5 A 1.325 64.325 20 300.0 -2.0 1.433E-03 3322597491.48437 107.30 192.7 192.7 12.060 76.385 65.849 -75.5 166.4 165.5 320 1334 C 7 H 5 A 1.350 64.350 20 298.1 -0.9 1.325E-03 3322597496.42187 107.30 190.8 190.8 12.060 76.410 65.871 -76.9 172.6 166.9 320 1334 C 7 H 5 A 1.375 64.375 20 300.1 -0.2 1.155E-03 3322597501.35937 107.30 192.8 192.8 12.060 76.435 65.892 -75.0 169.2 165.0 320 1334 C 7 H 5 A 1.400 64.400 20 300.1 0.1 9.207E-04 3322597506.28125 107.30 192.8 192.8 12.060 76.460 65.914 -74.9 169.7 164.9 320 1334 C 7 H 5 A 1.425 64.425 20 300.6 -1.4 6.763E-04 3322597511.21875 107.30 193.3 193.3 12.060 76.485 65.935 -74.9 166.2 164.9 320 1334 C 7 H 6 A 0.075 64.575 20 296.2 2.5 5.322E-04 3322598627.06250 107.30 188.9 188.9 12.060 76.635 66.065 -77.2 183.8 167.2 320 1334 C 7 H 6 A 0.100 64.600 20 289.3 1.4 5.579E-04 3322598632.00000 107.30 182.0 182.0 12.060 76.660 66.086 -81.1 215.0 171.1 320 1334 C 7 H 6 A 0.125 64.625 20 294.5 -0.1 5.993E-04 3322598636.92187 107.30 187.2 187.2 12.060 76.685 66.108 -79.3 185.6 169.3 320 1334 C 7 H 6 A 0.150 64.650 20 288.0 -0.4 6.197E-04 3322598641.85937 107.30 180.7 180.7 12.060 76.710 66.129 -82.2 222.9 172.2 320 1334 C 7 H 6 A 0.175 64.675 20 289.3 0.0 6.742E-04 3322598646.78125 107.30 182.0 182.0 12.060 76.735 66.151 -81.8 213.9 171.8 320 1334 C 7 H 6 A 0.200 64.700 20 289.3 1.7 7.057E-04 3322598651.71875 107.30 182.0 182.0 12.060 76.760 66.172 -80.9 215.2 170.9 320 1334 C 7 H 6 A 0.225 64.725 20 289.3 3.5 6.925E-04 3322598656.65625 107.30 182.0 182.0 12.060 76.785 66.194 -80.1 216.4 170.1 320 1334 C 7 H 6 A 0.250 64.750 20 289.2 5.3 6.112E-04 3322598661.59375 107.30 181.9 181.9 12.060 76.810 66.216 -79.2 217.9 169.2 320 1334 C 7 H 6 A 0.275 64.775 20 287.8 5.8 4.854E-04 3322598666.51562 107.30 180.5 180.5 12.060 76.835 66.237 -79.1 225.4 169.1 320 1334 C 7 H 6 A 0.300 64.800 20 282.3 3.4 4.321E-04 3322598671.45312 107.30 175.0 175.0 12.060 76.860 66.259 -79.1 255.4 169.1 320 1334 C 7 H 6 A 0.325 64.825 20 283.3 0.3 4.637E-04 3322598676.39062 107.30 176.0 176.0 12.060 76.885 66.280 -80.9 254.3 170.9 320 1334 C 7 H 6 A 0.350 64.850 20 288.3 -0.3 5.262E-04 3322598681.31250 107.30 181.0 181.0 12.060 76.910 66.302 -82.1 220.7 172.1 320 1334 C 7 H 6 A 0.375 64.875 20 289.6 -1.1 6.121E-04 3322598686.25000 107.30 182.3 182.3 12.060 76.935 66.323 -82.2 210.8 172.2 320 1334 C 7 H 6 A 0.400 64.900 20 292.2 -1.8 6.743E-04 3322598691.18750 107.30 184.9 184.9 12.060 76.960 66.345 -81.4 193.3 171.4 320 1334 C 7 H 6 A 0.425 64.925 20 292.6 -2.1 6.837E-04 3322598696.10937 107.30 185.3 185.3 12.060 76.985 66.366 -81.3 190.5 171.3 320 1334 C 7 H 6 A 0.450 64.950 20 289.5 -1.2 6.202E-04 3322598701.04687 107.30 182.2 182.2 12.060 77.010 66.388 -82.3 211.4 172.3 320 1334 C 7 H 6 A 0.475 64.975 20 295.1 0.5 5.185E-04 3322598705.98437 107.30 187.8 187.8 12.060 77.035 66.409 -78.7 184.4 168.7 320 1334 C 7 H 6 A 0.500 65.000 20 289.7 2.7 4.092E-04 3322598710.90625 107.30 182.4 182.4 12.060 77.060 66.431 -80.4 213.6 170.4 320 1334 C 7 H 6 A 0.525 65.025 20 289.6 3.6 3.606E-04 3322598715.84375 107.30 182.3 182.3 12.060 77.085 66.453 -79.9 214.8 169.9 320 1334 C 7 H 6 A 0.550 65.050 20 291.6 2.1 3.903E-04 3322598720.78125 107.30 184.3 184.3 12.060 77.110 66.474 -80.0 202.5 170.0 320 1334 C 7 H 6 A 0.575 65.075 20 286.3 1.4 4.252E-04 3322598725.70312 107.30 179.0 179.0 12.060 77.135 66.496 -81.2 234.6 171.2 320 1334 C 7 H 6 A 0.600 65.100 20 284.2 1.4 4.522E-04 3322598730.64062 107.30 176.9 176.9 12.060 77.160 66.517 -80.8 247.7 170.8 320 1334 C 7 H 6 A 0.625 65.125 20 287.3 0.9 4.829E-04 3322598735.57812 107.30 180.0 180.0 12.060 77.185 66.539 -81.6 228.0 171.6 320 1334 C 7 H 6 A 0.650 65.150 20 285.5 0.2 5.542E-04 3322598740.50000 107.30 178.2 178.2 12.060 77.210 66.560 -81.7 240.6 171.7 320 1334 C 7 H 6 A 0.675 65.175 20 291.7 -0.8 6.305E-04 3322598745.43750 107.30 184.4 184.4 12.060 77.235 66.582 -81.2 197.8 171.2 320 1334 C 7 H 6 A 0.700 65.200 20 293.1 -2.2 6.941E-04 3322598750.37500 107.30 185.8 185.8 12.060 77.260 66.603 -81.0 187.8 171.0 320 1334 C 7 H 6 A 0.725 65.225 20 294.7 -2.7 6.994E-04 3322598755.29687 107.30 187.4 187.4 12.060 77.285 66.625 -80.1 179.7 170.1 320 1334 C 7 H 6 A 0.750 65.250 20 292.7 -3.6 6.199E-04 3322598760.23437 107.30 185.4 185.4 12.060 77.310 66.647 -81.8 186.8 171.8 320 1334 C 7 H 6 A 0.775 65.275 20 290.4 -5.0 5.420E-04 3322598765.15625 107.30 183.1 183.1 12.060 77.335 66.668 -83.7 198.5 173.7 320 1334 C 7 H 6 A 0.800 65.300 20 286.5 -7.4 4.377E-04 3322598770.09375 107.30 179.2 179.2 12.060 77.360 66.690 -85.6 238.6 175.6 320 1334 C 7 H 6 A 0.825 65.325 20 278.9 -10.5 3.595E-04 3322598775.03125 107.30 171.6 171.6 12.060 77.385 66.711 -81.2 300.6 171.2 320 1334 C 7 H 6 A 0.850 65.350 20 274.6 -13.6 3.525E-04 3322598779.95312 107.30 167.3 167.3 12.060 77.410 66.733 -77.4 313.9 167.4 320 1334 C 7 H 6 A 0.875 65.375 20 276.3 -15.6 3.378E-04 3322598784.89062 107.30 169.0 169.0 12.060 77.435 66.754 -79.1 318.5 169.1 320 1334 C 7 H 6 A 0.900 65.400 20 278.6 -14.0 3.205E-04 3322598789.82812 107.30 171.3 171.3 12.060 77.460 66.776 -81.3 312.7 171.3 320 1334 C 7 H 6 A 0.925 65.425 20 282.8 -9.3 3.436E-04 3322598794.75000 107.30 175.5 175.5 12.060 77.485 66.797 -84.4 281.7 174.4 320 1334 C 7 H 6 A 0.950 65.450 20 285.1 -5.1 4.190E-04 3322598799.68750 107.30 177.8 177.8 12.060 77.510 66.819 -84.1 250.1 174.1 320 1334 C 7 H 6 A 0.975 65.475 20 282.8 -3.1 5.564E-04 3322598804.62500 107.30 175.5 175.5 12.060 77.535 66.841 -82.2 263.1 172.2 320 1334 C 7 H 6 A 1.000 65.500 20 281.6 -2.2 6.613E-04 3322598809.54687 107.30 174.3 174.3 12.060 77.560 66.862 -81.1 267.8 171.1 320 1334 C 7 H 6 A 1.025 65.525 20 283.9 -0.7 7.352E-04 3322598814.48437 107.30 176.6 176.6 12.060 77.585 66.884 -81.6 252.1 171.6 320 1334 C 7 H 6 A 1.050 65.550 20 281.3 0.8 7.280E-04 3322598819.40625 107.30 174.0 174.0 12.060 77.610 66.905 -79.7 263.8 169.7 320 1334 C 7 H 6 A 1.075 65.575 20 285.5 2.0 7.016E-04 3322598824.34375 107.30 178.2 178.2 12.060 77.635 66.927 -80.8 239.4 170.8 320 1334 C 7 H 6 A 1.100 65.600 20 290.6 2.8 7.062E-04 3322598829.26562 107.30 183.3 183.3 12.060 77.660 66.948 -80.0 208.6 170.0 320 1334 C 7 H 6 A 1.125 65.625 20 294.5 4.2 6.367E-04 3322598834.20312 107.30 187.2 187.2 12.060 77.685 66.970 -77.6 192.3 167.6 320 1334 C 7 H 6 A 1.150 65.650 20 295.5 6.0 4.981E-04 3322598839.14062 107.30 188.2 188.2 12.060 77.710 66.991 -76.3 191.1 166.3 320 1334 C 7 H 6 A 1.175 65.675 20 293.3 8.2 2.952E-04 3322598844.07812 107.30 186.0 186.0 12.060 77.735 67.013 -76.5 201.5 166.5 320 1334 C 7 H 6 A 1.200 65.700 20 281.8 8.4 1.676E-04 3322598849.00000 107.30 174.5 174.5 12.060 77.760 67.034 -76.6 252.4 166.6 320 1334 C 7 H 6 A 1.225 65.725 20 280.4 0.6 1.283E-04 3322598853.93750 107.30 173.1 173.1 12.060 77.785 67.056 -79.2 268.0 169.2 320 1334 C 7 H 6 A 1.250 65.750 20 280.9 -5.9 1.453E-04 3322598858.87500 107.30 173.6 173.6 12.060 77.810 67.078 -81.9 280.0 171.9 320 1334 C 7 H 6 A 1.275 65.775 20 288.2 -10.0 2.099E-04 3322598863.87500 107.30 180.9 180.9 12.060 77.835 67.099 -86.9 211.2 176.9 320 1334 C 7 H 6 A 1.300 65.800 20 289.2 -14.0 2.903E-04 3322598868.81250 107.30 181.9 181.9 12.060 77.860 67.121 -87.9 163.3 177.9 320 1334 C 7 H 6 A 1.325 65.825 20 283.6 -14.3 3.805E-04 3322598873.73437 107.30 176.3 176.3 12.060 77.885 67.142 -86.3 306.9 176.3 320 1334 C 7 H 6 A 1.350 65.850 20 292.4 -12.8 4.915E-04 3322598878.67187 107.30 185.1 185.1 12.060 77.910 67.164 -84.7 154.4 174.7 320 1334 C 7 H 6 A 1.375 65.875 20 291.4 -10.2 5.815E-04 3322598883.60937 107.30 184.1 184.1 12.060 77.935 67.185 -85.0 172.9 175.0 320 1334 C 7 H 6 A 1.400 65.900 20 295.5 -9.3 6.441E-04 3322598888.53125 107.30 188.2 188.2 12.060 77.960 67.207 -81.2 159.7 171.2 320 1334 C 7 H 6 A 1.425 65.925 20 293.9 -9.5 6.690E-04 3322598893.46875 107.30 186.6 186.6 12.060 77.985 67.228 -82.7 163.8 172.7 320 1334 C 7 H 7 A 0.075 66.075 20 312.6 -0.1 2.964E-04 3322600095.25000 107.30 205.3 205.3 12.060 78.135 67.358 -63.6 154.3 153.6 320 1334 C 7 H 7 A 0.100 66.100 20 308.8 3.0 2.220E-04 3322600100.17187 107.30 201.5 201.5 12.060 78.160 67.379 -66.6 161.0 156.6 320 1334 C 7 H 7 A 0.125 66.125 20 316.7 4.0 1.602E-04 3322600105.10937 107.30 209.4 209.4 12.060 78.185 67.401 -59.0 155.6 149.0 320 1334 C 7 H 7 A 0.150 66.150 20 308.9 1.5 1.411E-04 3322600110.04687 107.30 201.6 201.6 12.060 78.210 67.422 -66.8 159.2 156.8 320 1334 C 7 H 7 A 0.175 66.175 20 313.0 -6.4 1.693E-04 3322600114.98437 107.30 205.7 205.7 12.060 78.235 67.444 -64.0 147.2 154.0 320 1334 C 7 H 7 A 0.200 66.200 20 298.1 -11.0 1.502E-04 3322600119.90625 107.30 190.8 190.8 12.060 78.260 67.466 -79.0 150.2 169.0 320 1334 C 7 H 7 A 0.225 66.225 20 300.2 -12.1 1.811E-04 3322600124.84375 107.30 192.9 192.9 12.060 78.285 67.487 -77.1 145.6 167.1 320 1334 C 7 H 7 A 0.250 66.250 20 307.3 -12.0 2.084E-04 3322600129.78125 107.30 200.0 200.0 12.060 78.310 67.509 -70.1 142.3 160.1 320 1334 C 7 H 7 A 0.275 66.275 20 308.2 -11.2 1.668E-04 3322600134.71875 107.30 200.9 200.9 12.060 78.335 67.530 -69.1 143.2 159.1 320 1334 C 7 H 7 A 0.300 66.300 20 312.4 -3.7 1.430E-04 3322600139.65625 107.30 205.1 205.1 12.060 78.360 67.552 -64.3 150.5 154.3 320 1334 C 7 H 7 A 0.325 66.325 20 317.5 5.0 1.282E-04 3322600144.57812 107.30 210.2 210.2 12.060 78.385 67.573 -58.1 156.0 148.1 320 1334 C 8 H 1 A 1.075 67.575 20 65.7 42.5 7.159E-05 3322605270.04687 64.40 1.3 1.3 13.960 81.535 70.289 73.3 232.2 16.7 320 1334 C 8 H 1 A 1.100 67.600 20 36.7 64.2 4.825E-05 3322605274.98437 64.40 332.3 -27.7 13.960 81.560 70.310 45.2 200.7 44.8 320 1334 C 8 H 1 A 1.125 67.625 20 337.7 56.7 4.978E-05 3322605279.90625 64.40 273.3 -86.7 13.960 81.585 70.332 7.5 174.8 82.6 320 1334 C 8 H 1 A 1.150 67.650 20 256.2 29.0 7.989E-05 3322605284.84375 64.40 191.8 191.8 13.960 81.610 70.353 -63.8 201.6 153.8 320 1334 C 8 H 1 A 1.175 67.675 20 241.2 7.9 1.873E-04 3322605289.78125 64.40 176.8 176.8 13.960 81.635 70.375 -77.6 243.1 167.6 320 1334 C 8 H 1 A 1.200 67.700 20 251.5 -26.4 3.701E-04 3322605294.70312 64.40 187.1 187.1 13.960 81.660 70.397 -80.9 97.0 170.9 320 1334 C 8 H 1 A 1.225 67.725 20 244.3 -3.7 4.418E-04 3322605299.64062 64.40 179.9 179.9 13.960 81.685 70.418 -83.9 229.0 173.9 320 1334 C 8 H 1 A 1.250 67.750 20 239.6 -10.0 4.663E-04 3322605304.57812 64.40 175.2 175.2 13.960 81.710 70.440 -84.4 286.5 174.4 320 1334 C 8 H 1 A 1.275 67.775 20 230.1 -19.1 4.720E-04 3322605309.50000 64.40 165.7 165.7 13.960 81.735 70.461 -75.8 326.5 165.8 320 1334 C 8 H 1 A 1.300 67.800 20 232.4 -28.2 4.696E-04 3322605314.43750 64.40 168.0 168.0 13.960 81.760 70.483 -76.3 349.9 166.3 320 1334 C 8 H 1 A 1.325 67.825 20 249.0 -28.7 4.883E-04 3322605319.37500 64.40 184.6 184.6 13.960 81.785 70.504 -81.4 79.2 171.4 320 1334 C 8 H 1 A 1.350 67.850 20 261.6 -20.5 5.175E-04 3322605324.29687 64.40 197.2 197.2 13.960 81.810 70.526 -72.8 128.0 162.8 320 1334 C 8 H 1 A 1.375 67.875 20 260.9 -12.2 5.346E-04 3322605329.23437 64.40 196.5 196.5 13.960 81.835 70.547 -73.5 143.3 163.5 320 1334 C 8 H 1 A 1.400 67.900 20 257.6 -7.9 5.043E-04 3322605334.17187 64.40 193.2 193.2 13.960 81.860 70.569 -76.3 154.3 166.3 320 1334 C 8 H 1 A 1.425 67.925 20 254.2 -5.9 5.124E-04 3322605339.10937 64.40 189.8 189.8 13.960 81.885 70.591 -79.0 164.8 169.0 320 1334 C 8 H 2 A 0.060 68.060 20 194.3 31.0 3.589E-04 3322606278.01562 64.40 129.9 129.9 13.960 82.020 70.707 -34.6 291.3 124.6 320 1334 C 8 H 2 A 0.070 68.070 20 199.7 57.9 5.863E-04 3322606282.60937 64.40 135.3 135.3 13.960 82.030 70.716 -27.6 266.4 117.6 320 1334 C 8 H 2 A 0.080 68.080 20 217.0 41.1 4.575E-04 3322606287.20312 64.40 152.6 152.6 13.960 82.040 70.724 -48.6 267.7 138.6 320 1334 C 8 H 2 A 0.090 68.090 20 236.6 43.7 4.953E-04 3322606291.79687 64.40 172.2 172.2 13.960 82.050 70.733 -55.6 240.6 145.6 320 1334 C 8 H 2 A 0.100 68.100 20 245.5 37.8 5.689E-04 3322606296.39062 64.40 181.1 181.1 13.960 82.060 70.741 -60.8 225.9 150.8 320 1334 C 8 H 2 A 0.110 68.110 20 256.7 28.8 6.337E-04 3322606300.98437 64.40 192.3 192.3 13.960 82.070 70.750 -63.6 200.5 153.6 320 1334 C 8 H 2 A 0.120 68.120 20 261.6 18.3 7.364E-04 3322606305.56250 64.40 197.2 197.2 13.960 82.080 70.759 -65.6 183.1 155.6 320 1334 C 8 H 2 A 0.130 68.130 20 267.8 5.6 1.530E-03 3322606310.15625 64.40 203.4 203.4 13.960 82.090 70.767 -64.3 162.0 154.3 320 1334 C 8 H 2 A 0.140 68.140 20 267.4 5.8 8.673E-04 3322606314.75000 64.40 203.0 203.0 13.960 82.100 70.776 -64.6 162.6 154.6 320 1334 C 8 H 2 A 0.150 68.150 20 263.3 3.5 8.183E-04 3322606319.34375 64.40 198.9 198.9 13.960 82.110 70.784 -68.8 164.6 158.8 320 1334 C 8 H 2 A 0.160 68.160 20 259.0 -18.4 8.074E-04 3322606323.93750 64.40 194.6 194.6 13.960 82.120 70.793 -75.5 131.2 165.5 320 1334 C 8 H 2 A 0.170 68.170 20 254.8 0.2 7.363E-04 3322606328.53125 64.40 190.4 190.4 13.960 82.130 70.802 -76.8 175.6 166.8 320 1334 C 8 H 2 A 0.180 68.180 20 251.9 -1.2 7.358E-04 3322606333.12500 64.40 187.5 187.5 13.960 82.140 70.810 -79.5 182.4 169.5 320 1334 C 8 H 2 A 0.190 68.190 20 250.9 -2.2 7.373E-04 3322606337.71875 64.40 186.5 186.5 13.960 82.150 70.819 -80.5 184.5 170.5 320 1334 C 8 H 2 A 0.200 68.200 20 250.0 -3.1 7.302E-04 3322606342.31250 64.40 185.6 185.6 13.960 82.160 70.828 -81.5 186.9 171.5 320 1334 C 8 H 2 A 0.210 68.210 20 248.9 -4.0 7.220E-04 3322606346.89062 64.40 184.5 184.5 13.960 82.170 70.836 -82.5 191.0 172.5 320 1334 C 8 H 2 A 0.220 68.220 20 248.3 -4.6 7.001E-04 3322606351.48437 64.40 183.9 183.9 13.960 82.180 70.845 -83.1 193.5 173.1 320 1334 C 8 H 2 A 0.230 68.230 20 247.9 -5.2 6.830E-04 3322606356.07812 64.40 183.5 183.5 13.960 82.190 70.853 -83.6 195.0 173.6 320 1334 C 8 H 2 A 0.240 68.240 20 245.8 -5.6 6.763E-04 3322606360.67187 64.40 181.4 181.4 13.960 82.200 70.862 -84.6 212.9 174.6 320 1334 C 8 H 2 A 0.250 68.250 20 246.8 -6.0 6.585E-04 3322606365.26562 64.40 182.4 182.4 13.960 82.210 70.871 -84.5 202.3 174.5 320 1334 C 8 H 2 A 0.260 68.260 20 246.1 -6.5 6.378E-04 3322606369.85937 64.40 181.7 181.7 13.960 82.220 70.879 -85.0 208.3 175.0 320 1334 C 8 H 2 A 0.270 68.270 20 246.7 -6.5 6.344E-04 3322606374.45312 64.40 182.3 182.3 13.960 82.230 70.888 -84.7 202.1 174.7 320 1334 C 8 H 2 A 0.280 68.280 20 242.6 -6.5 6.337E-04 3322606379.04687 64.40 178.2 178.2 13.960 82.240 70.897 -84.9 248.8 174.9 320 1334 C 8 H 2 A 0.290 68.290 20 244.9 -7.1 6.125E-04 3322606383.64062 64.40 180.5 180.5 13.960 82.250 70.905 -85.5 221.6 175.5 320 1334 C 8 H 2 A 0.300 68.300 20 243.9 -7.5 5.999E-04 3322606388.23437 64.40 179.5 179.5 13.960 82.260 70.914 -85.7 234.8 175.7 320 1334 C 8 H 2 A 0.310 68.310 20 242.9 -7.9 5.862E-04 3322606392.81250 64.40 178.5 178.5 13.960 82.270 70.922 -85.7 248.4 175.7 320 1334 C 8 H 2 A 0.320 68.320 20 245.2 -8.4 5.656E-04 3322606397.40625 64.40 180.8 180.8 13.960 82.280 70.931 -86.1 216.1 176.1 320 1334 C 8 H 2 A 0.330 68.330 20 244.4 -8.3 5.750E-04 3322606402.00000 64.40 180.0 180.0 13.960 82.290 70.940 -86.2 228.0 176.2 320 1334 C 8 H 2 A 0.340 68.340 20 244.3 -8.3 5.801E-04 3322606406.59375 64.40 179.9 179.9 13.960 82.300 70.948 -86.2 229.5 176.2 320 1334 C 8 H 2 A 0.350 68.350 20 243.5 -7.9 6.187E-04 3322606411.18750 64.40 179.1 179.1 13.960 82.310 70.957 -85.9 240.6 175.9 320 1334 C 8 H 2 A 0.360 68.360 20 244.4 -8.5 6.270E-04 3322606415.78125 64.40 180.0 180.0 13.960 82.320 70.966 -86.3 228.0 176.3 320 1334 C 8 H 2 A 0.370 68.370 20 245.0 -9.3 6.465E-04 3322606420.37500 64.40 180.6 180.6 13.960 82.330 70.974 -86.6 217.8 176.6 320 1334 C 8 H 2 A 0.380 68.380 20 244.5 -10.2 6.696E-04 3322606424.96875 64.40 180.1 180.1 13.960 82.340 70.983 -87.1 226.0 177.1 320 1334 C 8 H 2 A 0.390 68.390 20 243.3 -11.0 6.742E-04 3322606429.56250 64.40 178.9 178.9 13.960 82.350 70.991 -87.3 252.1 177.3 320 1334 C 8 H 2 A 0.400 68.400 20 243.6 -11.8 6.843E-04 3322606434.14062 64.40 179.2 179.2 13.960 82.360 71.000 -87.8 249.4 177.8 320 1334 C 8 H 2 A 0.410 68.410 20 242.1 -12.7 6.869E-04 3322606438.73437 64.40 177.7 177.7 13.960 82.370 71.009 -87.2 283.6 177.2 320 1334 C 8 H 2 A 0.420 68.420 20 241.0 -13.1 6.863E-04 3322606443.32812 64.40 176.6 176.6 13.960 82.380 71.017 -86.4 296.2 176.4 320 1334 C 8 H 2 A 0.430 68.430 20 240.2 -13.6 6.867E-04 3322606447.92187 64.40 175.8 175.8 13.960 82.390 71.026 -85.7 303.5 175.7 320 1334 C 8 H 2 A 0.440 68.440 20 236.9 -13.6 6.978E-04 3322606452.51562 64.40 172.5 172.5 13.960 82.400 71.034 -82.5 310.1 172.5 320 1334 C 8 H 2 A 0.450 68.450 20 236.8 -14.0 6.887E-04 3322606457.10937 64.40 172.4 172.4 13.960 82.410 71.043 -82.4 311.8 172.4 320 1334 C 8 H 2 A 0.460 68.460 20 235.6 -14.1 6.871E-04 3322606461.68750 64.40 171.2 171.2 13.960 82.420 71.052 -81.2 313.1 171.2 320 1334 C 8 H 2 A 0.470 68.470 20 236.9 -14.6 6.628E-04 3322606466.28125 64.40 172.5 172.5 13.960 82.430 71.060 -82.6 314.1 172.6 320 1334 C 8 H 2 A 0.480 68.480 20 239.3 -14.7 6.404E-04 3322606470.85937 64.40 174.9 174.9 13.960 82.440 71.069 -84.9 312.4 174.9 320 1334 C 8 H 2 A 0.490 68.490 20 240.5 -14.9 5.996E-04 3322606475.45312 64.40 176.1 176.1 13.960 82.450 71.078 -86.1 312.1 176.1 320 1334 C 8 H 2 A 0.500 68.500 20 242.5 -14.5 5.508E-04 3322606480.04687 64.40 178.1 178.1 13.960 82.460 71.086 -88.0 299.6 178.0 320 1334 C 8 H 2 A 0.510 68.510 20 246.0 -13.8 4.918E-04 3322606484.64062 64.40 181.6 181.6 13.960 82.470 71.095 -88.1 170.1 178.1 320 1334 C 8 H 2 A 0.520 68.520 20 244.6 -12.0 4.328E-04 3322606489.23437 64.40 180.2 180.2 13.960 82.480 71.103 -88.1 222.2 178.1 320 1334 C 8 H 2 A 0.530 68.530 20 244.5 -9.5 3.695E-04 3322606493.82812 64.40 180.1 180.1 13.960 82.490 71.112 -86.8 226.3 176.8 320 1334 C 8 H 2 A 0.540 68.540 20 247.9 -7.8 2.900E-04 3322606498.40625 64.40 183.5 183.5 13.960 82.500 71.121 -84.6 187.4 174.6 320 1334 C 8 H 2 A 0.550 68.550 20 237.8 -2.5 2.562E-04 3322606503.00000 64.40 173.4 173.4 13.960 82.510 71.129 -80.6 272.6 170.6 320 1334 C 8 H 2 A 0.560 68.560 20 232.1 4.9 2.252E-04 3322606507.59375 64.40 167.7 167.7 13.960 82.520 71.138 -73.9 278.1 163.9 320 1334 C 8 H 2 A 0.570 68.570 20 220.7 11.1 2.483E-04 3322606512.18750 64.40 156.3 156.3 13.960 82.530 71.147 -62.7 288.8 152.7 320 1334 C 8 H 2 A 0.580 68.580 20 229.5 16.2 2.654E-04 3322606516.78125 64.40 165.1 165.1 13.960 82.540 71.155 -68.0 270.8 158.0 320 1334 C 8 H 2 A 0.590 68.590 20 234.2 17.2 2.966E-04 3322606521.35937 64.40 169.8 169.8 13.960 82.550 71.164 -70.4 259.4 160.4 320 1334 C 8 H 2 A 0.600 68.600 20 234.9 15.8 3.463E-04 3322606525.95312 64.40 170.5 170.5 13.960 82.560 71.172 -71.4 258.8 161.4 320 1334 C 8 H 2 A 0.610 68.610 20 238.8 13.9 3.731E-04 3322606530.54687 64.40 174.4 174.4 13.960 82.570 71.181 -73.9 248.5 163.9 320 1334 C 8 H 2 A 0.620 68.620 20 241.5 11.1 3.961E-04 3322606535.14062 64.40 177.1 177.1 13.960 82.580 71.190 -76.1 240.1 166.1 320 1334 C 8 H 2 A 0.630 68.630 20 243.7 8.5 4.085E-04 3322606539.73437 64.40 179.3 179.3 13.960 82.590 71.198 -77.7 231.3 167.7 320 1334 C 8 H 2 A 0.640 68.640 20 244.8 6.7 3.990E-04 3322606544.31250 64.40 180.4 180.4 13.960 82.600 71.207 -78.6 226.0 168.6 320 1334 C 8 H 2 A 0.650 68.650 20 244.0 5.8 3.775E-04 3322606548.90625 64.40 179.6 179.6 13.960 82.610 71.216 -79.1 230.1 169.1 320 1334 C 8 H 2 A 0.660 68.660 20 239.1 5.1 3.574E-04 3322606553.50000 64.40 174.7 174.7 13.960 82.620 71.224 -78.2 254.8 168.2 320 1334 C 8 H 2 A 0.670 68.670 20 242.6 3.8 3.216E-04 3322606558.09375 64.40 178.2 178.2 13.960 82.630 71.233 -79.9 238.4 169.9 320 1334 C 8 H 2 A 0.680 68.680 20 238.6 2.4 3.088E-04 3322606562.68750 64.40 174.2 174.2 13.960 82.640 71.241 -79.1 260.4 169.1 320 1334 C 8 H 2 A 0.690 68.690 20 239.7 0.8 3.056E-04 3322606567.26562 64.40 175.3 175.3 13.960 82.650 71.250 -80.4 257.4 170.4 320 1334 C 8 H 2 A 0.700 68.700 20 234.9 -1.1 3.070E-04 3322606571.85937 64.40 170.5 170.5 13.960 82.660 71.259 -78.0 280.3 168.0 320 1334 C 8 H 2 A 0.710 68.710 20 242.2 -3.9 2.783E-04 3322606576.45312 64.40 177.8 177.8 13.960 82.670 71.267 -83.6 248.1 173.6 320 1334 C 8 H 2 A 0.720 68.720 20 237.1 -6.2 2.784E-04 3322606581.04687 64.40 172.7 172.7 13.960 82.680 71.276 -81.2 284.5 171.2 320 1334 C 8 H 2 A 0.730 68.730 20 239.8 -8.9 2.594E-04 3322606585.64062 64.40 175.4 175.4 13.960 82.690 71.284 -84.2 280.7 174.2 320 1334 C 8 H 2 A 0.740 68.740 20 234.1 -10.2 2.665E-04 3322606590.23437 64.40 169.7 169.7 13.960 82.700 71.293 -79.4 303.1 169.4 320 1334 C 8 H 2 A 0.750 68.750 20 233.7 -12.2 2.585E-04 3322606594.82812 64.40 169.3 169.3 13.960 82.710 71.302 -79.2 308.9 169.2 320 1334 C 8 H 2 A 0.760 68.760 20 229.2 -14.5 2.557E-04 3322606599.42187 64.40 164.8 164.8 13.960 82.720 71.310 -74.9 316.7 164.9 320 1334 C 8 H 2 A 0.770 68.770 20 227.2 -17.3 2.473E-04 3322606604.01562 64.40 162.8 162.8 13.960 82.730 71.319 -73.0 322.1 163.0 320 1334 C 8 H 2 A 0.780 68.780 20 224.9 -22.6 2.311E-04 3322606608.59375 64.40 160.5 160.5 13.960 82.740 71.328 -70.4 330.7 160.4 320 1334 C 8 H 2 A 0.790 68.790 20 220.1 -26.1 2.297E-04 3322606613.18750 64.40 155.7 155.7 13.960 82.750 71.336 -65.5 333.7 155.5 320 1334 C 8 H 2 A 0.800 68.800 20 211.9 -28.2 2.319E-04 3322606617.76562 64.40 147.5 147.5 13.960 82.760 71.345 -57.4 333.4 147.4 320 1334 C 8 H 2 A 0.810 68.810 20 209.5 -31.9 2.081E-04 3322606622.35937 64.40 145.1 145.1 13.960 82.770 71.353 -54.8 336.8 144.8 320 1334 C 8 H 2 A 0.820 68.820 20 207.9 -35.3 1.737E-04 3322606626.95312 64.40 143.5 143.5 13.960 82.780 71.362 -52.8 339.9 142.8 320 1334 C 8 H 2 A 0.830 68.830 20 227.8 -53.6 1.041E-04 3322606631.54687 64.40 163.4 163.4 13.960 82.790 71.371 -59.7 20.1 149.7 320 1334 C 8 H 2 A 0.840 68.840 20 253.2 -57.4 7.982E-05 3322606636.14062 64.40 188.8 188.8 13.960 82.800 71.379 -59.0 61.5 149.0 320 1334 C 8 H 2 A 0.850 68.850 20 255.1 -42.3 6.654E-05 3322606640.73437 64.40 190.7 190.7 13.960 82.810 71.388 -70.6 78.6 160.6 320 1334 C 8 H 2 A 0.860 68.860 20 249.9 -24.6 6.935E-05 3322606645.31250 64.40 185.5 185.5 13.960 82.820 71.397 -82.7 95.4 172.7 320 1334 C 8 H 2 A 0.870 68.870 20 255.9 -13.6 9.568E-05 3322606649.90625 64.40 191.5 191.5 13.960 82.830 71.405 -78.5 142.8 168.5 320 1334 C 8 H 2 A 0.880 68.880 20 240.0 -7.5 1.413E-04 3322606654.48437 64.40 175.6 175.6 13.960 82.840 71.414 -83.9 274.2 173.9 320 1334 C 8 H 2 A 0.890 68.890 20 240.2 -5.9 1.927E-04 3322606659.07812 64.40 175.8 175.8 13.960 82.850 71.422 -83.5 267.9 173.5 320 1334 C 8 H 2 A 0.900 68.900 20 234.4 -4.6 2.371E-04 3322606663.67187 64.40 170.0 170.0 13.960 82.860 71.431 -78.5 288.8 168.5 320 1334 C 8 H 2 A 0.910 68.910 20 242.0 -5.3 2.564E-04 3322606668.26562 64.40 177.6 177.6 13.960 82.870 71.440 -84.2 252.2 174.2 320 1334 C 8 H 2 A 0.920 68.920 20 238.8 -4.6 2.823E-04 3322606672.85937 64.40 174.4 174.4 13.960 82.880 71.448 -82.0 272.7 172.0 320 1334 C 8 H 2 A 0.930 68.930 20 241.4 -3.7 2.975E-04 3322606677.45312 64.40 177.0 177.0 13.960 82.890 71.457 -83.2 254.1 173.2 320 1334 C 8 H 2 A 0.940 68.940 20 240.5 -2.5 3.387E-04 3322606682.03125 64.40 176.1 176.1 13.960 82.900 71.466 -82.2 258.2 172.2 320 1334 C 8 H 2 A 0.950 68.950 20 238.5 -1.2 3.911E-04 3322606686.62500 64.40 174.1 174.1 13.960 82.910 71.474 -80.6 266.8 170.6 320 1334 C 8 H 2 A 0.960 68.960 20 242.8 -0.4 4.130E-04 3322606691.21875 64.40 178.4 178.4 13.960 82.920 71.483 -82.0 239.7 172.0 320 1334 C 8 H 2 A 0.970 68.970 20 242.4 0.6 4.604E-04 3322606695.81250 64.40 178.0 178.0 13.960 82.930 71.491 -81.5 241.6 171.5 320 1334 C 8 H 2 A 0.980 68.980 20 242.7 1.3 5.055E-04 3322606700.39062 64.40 178.3 178.3 13.960 82.940 71.500 -81.2 239.2 171.2 320 1334 C 8 H 2 A 0.990 68.990 20 243.6 2.2 5.344E-04 3322606704.98437 64.40 179.2 179.2 13.960 82.950 71.509 -80.9 233.1 170.9 320 1334 C 8 H 2 A 1.000 69.000 20 244.7 3.0 5.711E-04 3322606709.56250 64.40 180.3 180.3 13.960 82.960 71.517 -80.5 226.2 170.5 320 1334 C 8 H 2 A 1.010 69.010 20 244.7 3.6 5.990E-04 3322606714.15625 64.40 180.3 180.3 13.960 82.970 71.526 -80.2 226.3 170.2 320 1334 C 8 H 2 A 1.020 69.020 20 243.9 4.3 6.131E-04 3322606718.75000 64.40 179.5 179.5 13.960 82.980 71.534 -79.8 230.9 169.8 320 1334 C 8 H 2 A 1.030 69.030 20 243.0 4.6 6.175E-04 3322606723.32812 64.40 178.6 178.6 13.960 82.990 71.543 -79.6 235.8 169.6 320 1334 C 8 H 2 A 1.040 69.040 20 243.6 4.8 6.169E-04 3322606727.92187 64.40 179.2 179.2 13.960 83.000 71.552 -79.6 232.4 169.6 320 1334 C 8 H 2 A 1.050 69.050 20 240.7 5.1 6.344E-04 3322606732.50000 64.40 176.3 176.3 13.960 83.010 71.560 -78.8 247.4 168.8 320 1334 C 8 H 2 A 1.060 69.060 20 240.6 5.2 6.309E-04 3322606737.10937 64.40 176.2 176.2 13.960 83.020 71.569 -78.7 247.8 168.7 320 1334 C 8 H 2 A 1.070 69.070 20 240.1 4.9 6.389E-04 3322606741.68750 64.40 175.7 175.7 13.960 83.030 71.578 -78.7 250.5 168.7 320 1334 C 8 H 2 A 1.080 69.080 20 240.2 4.3 6.528E-04 3322606746.28125 64.40 175.8 175.8 13.960 83.040 71.586 -79.0 250.6 169.0 320 1334 C 8 H 2 A 1.090 69.090 20 241.3 3.7 6.523E-04 3322606750.87500 64.40 176.9 176.9 13.960 83.050 71.595 -79.7 245.6 169.7 320 1334 C 8 H 2 A 1.100 69.100 20 240.6 3.0 6.617E-04 3322606755.46875 64.40 176.2 176.2 13.960 83.060 71.603 -79.8 249.9 169.8 320 1334 C 8 H 2 A 1.110 69.110 20 240.3 2.3 6.646E-04 3322606760.06250 64.40 175.9 175.9 13.960 83.070 71.612 -80.0 252.3 170.0 320 1334 C 8 H 2 A 1.120 69.120 20 240.1 2.0 6.435E-04 3322606764.65625 64.40 175.7 175.7 13.960 83.080 71.621 -80.0 253.7 170.0 320 1334 C 8 H 2 A 1.130 69.130 20 242.2 1.5 6.256E-04 3322606769.23437 64.40 177.8 177.8 13.960 83.090 71.629 -81.0 242.2 171.0 320 1334 C 8 H 2 A 1.140 69.140 20 240.3 1.2 6.033E-04 3322606773.82812 64.40 175.9 175.9 13.960 83.100 71.638 -80.5 253.6 170.5 320 1334 C 8 H 2 A 1.150 69.150 20 243.4 0.8 5.389E-04 3322606778.42187 64.40 179.0 179.0 13.960 83.110 71.647 -81.5 234.8 171.5 320 1334 C 8 H 2 A 1.160 69.160 20 241.9 0.4 4.869E-04 3322606783.01562 64.40 177.5 177.5 13.960 83.120 71.655 -81.4 245.1 171.4 320 1334 C 8 H 2 A 1.170 69.170 20 245.6 0.1 4.215E-04 3322606787.60937 64.40 181.2 181.2 13.960 83.130 71.664 -81.9 219.5 171.9 320 1334 C 8 H 2 A 1.180 69.180 20 242.8 -0.7 3.555E-04 3322606792.18750 64.40 178.4 178.4 13.960 83.140 71.672 -82.2 239.9 172.2 320 1334 C 8 H 2 A 1.190 69.190 20 244.3 -1.1 3.009E-04 3322606796.78125 64.40 179.9 179.9 13.960 83.150 71.681 -82.6 228.8 172.6 320 1334 C 8 H 2 A 1.200 69.200 20 245.2 -2.3 2.454E-04 3322606801.37500 64.40 180.8 180.8 13.960 83.160 71.690 -83.1 221.4 173.1 320 1334 C 8 H 2 A 1.210 69.210 20 241.9 -4.3 2.002E-04 3322606805.96875 64.40 177.5 177.5 13.960 83.170 71.698 -83.7 251.2 173.7 320 1334 C 8 H 2 A 1.220 69.220 20 247.8 -8.7 1.366E-04 3322606810.56250 64.40 183.4 183.4 13.960 83.180 71.707 -85.0 184.8 175.0 320 1334 C 8 H 2 A 1.230 69.230 20 235.5 -14.9 9.880E-05 3322606815.15625 64.40 171.1 171.1 13.960 83.190 71.716 -81.2 315.9 171.2 320 1334 C 8 H 2 A 1.240 69.240 20 221.5 -19.3 7.919E-05 3322606819.73437 64.40 157.1 157.1 13.960 83.200 71.724 -67.3 324.7 157.3 320 1334 C 8 H 2 A 1.250 69.250 20 238.9 -28.6 4.948E-05 3322606824.31250 64.40 174.5 174.5 13.960 83.210 71.733 -81.0 11.9 171.0 320 1334 C 8 H 2 A 1.260 69.260 20 224.7 -20.8 4.848E-05 3322606828.90625 64.40 160.3 160.3 13.960 83.220 71.741 -70.4 327.6 160.4 320 1334 C 8 H 2 A 1.270 69.270 20 197.9 -2.9 7.008E-05 3322606833.48437 64.40 133.5 133.5 13.960 83.230 71.750 -43.2 312.5 133.2 320 1334 C 8 H 2 A 1.280 69.280 20 209.7 7.9 6.328E-05 3322606838.07812 64.40 145.3 145.3 13.960 83.240 71.759 -53.4 300.2 143.4 320 1334 C 8 H 2 A 1.290 69.290 20 207.4 13.6 7.931E-05 3322606842.67187 64.40 143.0 143.0 13.960 83.250 71.767 -50.2 297.0 140.2 320 1334 C 8 H 2 A 1.300 69.300 20 223.7 13.6 1.183E-04 3322606847.25000 64.40 159.3 159.3 13.960 83.260 71.776 -64.6 282.8 154.6 320 1334 C 8 H 2 A 1.310 69.310 20 219.5 13.4 1.611E-04 3322606851.84375 64.40 155.1 155.1 13.960 83.270 71.784 -61.1 287.9 151.1 320 1334 C 8 H 2 A 1.320 69.320 20 230.9 12.2 1.885E-04 3322606856.43750 64.40 166.5 166.5 13.960 83.280 71.793 -70.5 272.0 160.5 320 1334 C 8 H 2 A 1.330 69.330 20 235.4 9.2 2.443E-04 3322606861.03125 64.40 171.0 171.0 13.960 83.290 71.802 -74.5 263.7 164.5 320 1334 C 8 H 2 A 1.340 69.340 20 242.6 6.6 2.715E-04 3322606865.62500 64.40 178.2 178.2 13.960 83.300 71.810 -78.6 237.1 168.6 320 1334 C 8 H 2 A 1.350 69.350 20 244.2 3.4 3.377E-04 3322606870.20312 64.40 179.8 179.8 13.960 83.310 71.819 -80.3 229.2 170.3 320 1334 C 8 H 2 A 1.360 69.360 20 247.9 1.1 4.102E-04 3322606874.79687 64.40 183.5 183.5 13.960 83.320 71.828 -80.8 205.7 170.8 320 1334 C 8 H 2 A 1.370 69.370 20 246.0 -0.1 4.845E-04 3322606879.39062 64.40 181.6 181.6 13.960 83.330 71.836 -81.9 216.6 171.9 320 1334 C 8 H 2 A 1.380 69.380 20 249.1 -1.3 5.200E-04 3322606883.96875 64.40 184.7 184.7 13.960 83.340 71.845 -81.3 195.3 171.3 320 1334 C 8 H 2 A 1.390 69.390 20 250.2 -2.1 5.412E-04 3322606888.56250 64.40 185.8 185.8 13.960 83.350 71.853 -81.0 188.0 171.0 320 1334 C 8 H 2 A 1.400 69.400 20 249.6 -2.5 5.611E-04 3322606893.15625 64.40 185.2 185.2 13.960 83.360 71.862 -81.5 190.3 171.5 320 1334 C 8 H 2 A 1.410 69.410 20 252.3 -3.0 5.616E-04 3322606897.75000 64.40 187.9 187.9 13.960 83.370 71.871 -79.8 177.2 169.8 320 1334 C 8 H 2 A 1.420 69.420 20 255.2 -3.9 5.490E-04 3322606902.34375 64.40 190.8 190.8 13.960 83.380 71.879 -77.7 166.8 167.7 320 1334 C 8 H 2 A 1.430 69.430 20 250.6 -4.0 5.488E-04 3322606906.92187 64.40 186.2 186.2 13.960 83.390 71.888 -81.4 181.9 171.4 320 1334 C 8 H 2 A 1.440 69.440 20 253.3 -4.2 5.208E-04 3322606911.51562 64.40 188.9 188.9 13.960 83.400 71.897 -79.4 171.2 169.4 320 1334 C 8 H 3 A 0.060 69.560 20 228.7 12.1 3.311E-04 3322607825.12500 64.40 164.3 164.3 13.960 83.520 72.000 -68.9 276.4 158.9 320 1334 C 8 H 3 A 0.070 69.570 20 228.5 12.4 3.429E-04 3322607829.71875 64.40 164.1 164.1 13.960 83.530 72.009 -68.7 276.5 158.7 320 1334 C 8 H 3 A 0.080 69.580 20 234.6 13.3 3.280E-04 3322607834.31250 64.40 170.2 170.2 13.960 83.540 72.017 -72.3 261.8 162.3 320 1334 C 8 H 3 A 0.090 69.590 20 235.5 14.3 3.160E-04 3322607838.90625 64.40 171.1 171.1 13.960 83.550 72.026 -72.3 258.4 162.3 320 1334 C 8 H 3 A 0.100 69.600 20 235.8 15.1 3.198E-04 3322607843.48437 64.40 171.4 171.4 13.960 83.560 72.034 -72.1 256.9 162.1 320 1334 C 8 H 3 A 0.110 69.610 20 240.4 16.4 3.090E-04 3322607848.06250 64.40 176.0 176.0 13.960 83.570 72.043 -73.2 241.8 163.2 320 1334 C 8 H 3 A 0.120 69.620 20 241.8 16.9 3.122E-04 3322607852.65625 64.40 177.4 177.4 13.960 83.580 72.052 -73.2 236.9 163.2 320 1334 C 8 H 3 A 0.130 69.630 20 245.0 17.4 3.293E-04 3322607857.25000 64.40 180.6 180.6 13.960 83.590 72.060 -73.1 226.0 163.1 320 1334 C 8 H 3 A 0.140 69.640 20 247.0 17.1 3.494E-04 3322607861.84375 64.40 182.6 182.6 13.960 83.600 72.069 -73.1 219.2 163.1 320 1334 C 8 H 3 A 0.150 69.650 20 248.9 16.4 3.857E-04 3322607866.42187 64.40 184.5 184.5 13.960 83.610 72.078 -73.0 212.6 163.0 320 1334 C 8 H 3 A 0.160 69.660 20 250.2 14.2 4.407E-04 3322607871.01562 64.40 185.8 185.8 13.960 83.620 72.086 -73.7 207.1 163.7 320 1334 C 8 H 3 A 0.170 69.670 20 246.8 12.5 5.001E-04 3322607875.60937 64.40 182.4 182.4 13.960 83.630 72.095 -75.5 218.5 165.5 320 1334 C 8 H 3 A 0.180 69.680 20 247.8 10.0 5.689E-04 3322607880.20312 64.40 183.4 183.4 13.960 83.640 72.103 -76.5 213.3 166.5 320 1334 C 8 H 3 A 0.190 69.690 20 244.9 8.2 6.263E-04 3322607884.78125 64.40 180.5 180.5 13.960 83.650 72.112 -77.9 225.7 167.9 320 1334 C 8 H 3 A 0.200 69.700 20 246.7 6.1 6.570E-04 3322607889.37500 64.40 182.3 182.3 13.960 83.660 72.121 -78.7 216.2 168.7 320 1334 C 8 H 3 A 0.210 69.710 20 240.3 4.9 7.057E-04 3322607893.96875 64.40 175.9 175.9 13.960 83.670 72.129 -78.8 249.6 168.8 320 1334 C 8 H 3 A 0.220 69.720 20 243.4 3.6 7.006E-04 3322607898.56250 64.40 179.0 179.0 13.960 83.680 72.138 -80.2 233.9 170.2 320 1334 C 8 H 3 A 0.230 69.730 20 241.2 3.0 7.101E-04 3322607903.14062 64.40 176.8 176.8 13.960 83.690 72.147 -80.0 246.7 170.0 320 1334 C 8 H 3 A 0.240 69.740 20 243.3 2.7 6.874E-04 3322607907.73437 64.40 178.9 178.9 13.960 83.700 72.155 -80.6 234.8 170.6 320 1334 C 8 H 3 A 0.250 69.750 20 243.8 3.0 6.606E-04 3322607912.32812 64.40 179.4 179.4 13.960 83.710 72.164 -80.5 231.7 170.5 320 1334 C 8 H 3 A 0.260 69.760 20 245.1 3.6 6.322E-04 3322607916.92187 64.40 180.7 180.7 13.960 83.720 72.172 -80.2 223.9 170.2 320 1334 C 8 H 3 A 0.270 69.770 20 245.3 4.4 6.143E-04 3322607921.51562 64.40 180.9 180.9 13.960 83.730 72.181 -79.8 223.0 169.8 320 1334 C 8 H 3 A 0.280 69.780 20 247.9 4.8 5.906E-04 3322607926.10937 64.40 183.5 183.5 13.960 83.740 72.190 -79.0 209.3 169.0 320 1334 C 8 H 3 A 0.290 69.790 20 247.8 5.1 5.773E-04 3322607930.68750 64.40 183.4 183.4 13.960 83.750 72.198 -78.9 210.1 168.9 320 1334 C 8 H 3 A 0.300 69.800 20 249.4 5.1 5.562E-04 3322607935.28125 64.40 185.0 185.0 13.960 83.760 72.207 -78.3 202.5 168.3 320 1334 C 8 H 3 A 0.310 69.810 20 250.0 4.9 5.332E-04 3322607939.85937 64.40 185.6 185.6 13.960 83.770 72.216 -78.2 199.7 168.2 320 1334 C 8 H 3 A 0.320 69.820 20 252.1 4.4 5.187E-04 3322607944.45312 64.40 187.7 187.7 13.960 83.780 72.224 -77.2 190.8 167.2 320 1334 C 8 H 3 A 0.330 69.830 20 248.1 4.2 5.190E-04 3322607949.04687 64.40 183.7 183.7 13.960 83.790 72.233 -79.2 207.8 169.2 320 1334 C 8 H 3 A 0.340 69.840 20 251.5 3.9 4.862E-04 3322607953.62500 64.40 187.1 187.1 13.960 83.800 72.241 -77.8 192.3 167.8 320 1334 C 8 H 3 A 0.350 69.850 20 249.4 3.6 4.954E-04 3322607958.23437 64.40 185.0 185.0 13.960 83.810 72.250 -79.0 200.9 169.0 320 1334 C 8 H 3 A 0.360 69.860 20 249.8 3.8 4.731E-04 3322607962.81250 64.40 185.4 185.4 13.960 83.820 72.259 -78.7 199.3 168.7 320 1334 C 8 H 3 A 0.370 69.870 20 252.2 3.8 4.561E-04 3322607967.40625 64.40 187.8 187.8 13.960 83.830 72.267 -77.4 189.6 167.4 320 1334 C 8 H 3 A 0.380 69.880 20 251.6 4.1 4.559E-04 3322607971.98437 64.40 187.2 187.2 13.960 83.840 72.276 -77.7 192.2 167.7 320 1334 C 8 H 3 A 0.390 69.890 20 251.0 4.9 4.465E-04 3322607976.57812 64.40 186.6 186.6 13.960 83.850 72.284 -77.7 195.6 167.7 320 1334 C 8 H 3 A 0.400 69.900 20 249.3 5.6 4.419E-04 3322607981.18750 64.40 184.9 184.9 13.960 83.860 72.293 -78.1 203.5 168.1 320 1334 C 8 H 3 A 0.410 69.910 20 249.8 6.1 4.410E-04 3322607985.78125 64.40 185.4 185.4 13.960 83.870 72.302 -77.7 201.9 167.7 320 1334 C 8 H 3 A 0.420 69.920 20 245.4 6.7 4.476E-04 3322607990.35937 64.40 181.0 181.0 13.960 83.880 72.310 -78.6 223.0 168.6 320 1334 C 8 H 3 A 0.430 69.930 20 244.3 6.9 4.569E-04 3322607994.95312 64.40 179.9 179.9 13.960 83.890 72.319 -78.5 228.5 168.5 320 1334 C 8 H 3 A 0.440 69.940 20 240.2 7.5 4.652E-04 3322607999.54687 64.40 175.8 175.8 13.960 83.900 72.328 -77.5 247.8 167.5 320 1334 C 8 H 3 A 0.450 69.950 20 241.4 8.0 4.690E-04 3322608004.14062 64.40 177.0 177.0 13.960 83.910 72.336 -77.6 242.1 167.6 320 1334 C 8 H 3 A 0.460 69.960 20 241.5 9.0 4.616E-04 3322608008.73437 64.40 177.1 177.1 13.960 83.920 72.345 -77.1 241.1 167.1 320 1334 C 8 H 3 A 0.470 69.970 20 242.3 10.1 4.561E-04 3322608013.32812 64.40 177.9 177.9 13.960 83.930 72.353 -76.7 237.2 166.7 320 1334 C 8 H 3 A 0.480 69.980 20 242.0 11.4 4.565E-04 3322608017.92187 64.40 177.6 177.6 13.960 83.940 72.362 -76.0 238.0 166.0 320 1334 C 8 H 3 A 0.490 69.990 20 247.0 12.6 4.379E-04 3322608022.51562 64.40 182.6 182.6 13.960 83.950 72.371 -75.4 217.7 165.4 320 1334 C 8 H 3 A 0.500 70.000 20 245.8 13.1 4.436E-04 3322608027.10937 64.40 181.4 181.4 13.960 83.960 72.379 -75.3 222.5 165.3 320 1334 C 8 H 3 A 0.510 70.010 20 249.9 14.0 4.258E-04 3322608031.68750 64.40 185.5 185.5 13.960 83.970 72.388 -73.9 207.9 163.9 320 1334 C 8 H 3 A 0.520 70.020 20 253.2 14.5 4.189E-04 3322608036.28125 64.40 188.8 188.8 13.960 83.980 72.397 -72.3 198.1 162.3 320 1334 C 8 H 3 A 0.530 70.030 20 255.0 14.5 4.299E-04 3322608040.85937 64.40 190.6 190.6 13.960 83.990 72.405 -71.4 193.2 161.4 320 1334 C 8 H 3 A 0.540 70.040 20 256.8 14.5 4.270E-04 3322608045.46875 64.40 192.4 192.4 13.960 84.000 72.414 -70.3 188.9 160.3 320 1334 C 8 H 3 A 0.550 70.050 20 255.9 14.4 4.356E-04 3322608050.06250 64.40 191.5 191.5 13.960 84.010 72.422 -70.9 190.9 160.9 320 1334 C 8 H 3 A 0.560 70.060 20 255.1 14.4 4.429E-04 3322608054.65625 64.40 190.7 190.7 13.960 84.020 72.431 -71.3 192.9 161.3 320 1334 C 8 H 3 A 0.570 70.070 20 256.7 14.3 4.501E-04 3322608059.23437 64.40 192.3 192.3 13.960 84.030 72.440 -70.4 188.9 160.4 320 1334 C 8 H 3 A 0.580 70.080 20 248.8 14.1 4.801E-04 3322608063.82812 64.40 184.4 184.4 13.960 84.040 72.448 -74.2 211.8 164.2 320 1334 C 8 H 3 A 0.590 70.090 20 249.8 14.0 4.995E-04 3322608068.42187 64.40 185.4 185.4 13.960 84.050 72.457 -74.0 208.3 164.0 320 1334 C 8 H 3 A 0.600 70.100 20 246.6 13.8 5.337E-04 3322608073.01562 64.40 182.2 182.2 13.960 84.060 72.466 -74.8 219.7 164.8 320 1334 C 8 H 3 A 0.610 70.110 20 247.0 12.9 5.742E-04 3322608077.60937 64.40 182.6 182.6 13.960 84.070 72.474 -75.2 217.8 165.2 320 1334 C 8 H 3 A 0.620 70.120 20 239.2 12.1 6.393E-04 3322608082.20312 64.40 174.8 174.8 13.960 84.080 72.483 -75.0 248.4 165.0 320 1334 C 8 H 3 A 0.630 70.130 20 241.9 11.7 6.695E-04 3322608086.78125 64.40 177.5 177.5 13.960 84.090 72.491 -75.9 238.3 165.9 320 1334 C 8 H 3 A 0.640 70.140 20 243.3 11.7 6.899E-04 3322608091.37500 64.40 178.9 178.9 13.960 84.100 72.500 -76.1 232.6 166.1 320 1334 C 8 H 3 A 0.650 70.150 20 245.5 11.5 7.102E-04 3322608095.96875 64.40 181.1 181.1 13.960 84.110 72.509 -76.2 223.5 166.2 320 1334 C 8 H 3 A 0.660 70.160 20 244.4 11.6 7.272E-04 3322608100.56250 64.40 180.0 180.0 13.960 84.120 72.517 -76.1 228.0 166.1 320 1334 C 8 H 3 A 0.670 70.170 20 246.9 11.9 7.192E-04 3322608105.15625 64.40 182.5 182.5 13.960 84.130 72.526 -75.8 217.9 165.8 320 1334 C 8 H 3 A 0.680 70.180 20 248.1 12.2 6.990E-04 3322608109.73437 64.40 183.7 183.7 13.960 84.140 72.534 -75.4 213.3 165.4 320 1334 C 8 H 3 A 0.690 70.190 20 247.3 12.3 6.857E-04 3322608114.32812 64.40 182.9 182.9 13.960 84.150 72.543 -75.5 216.5 165.5 320 1334 C 8 H 3 A 0.700 70.200 20 248.1 12.6 6.511E-04 3322608118.92187 64.40 183.7 183.7 13.960 84.160 72.552 -75.2 213.5 165.2 320 1334 C 8 H 3 A 0.710 70.210 20 250.1 13.0 6.078E-04 3322608123.51562 64.40 185.7 185.7 13.960 84.170 72.560 -74.4 206.6 164.4 320 1334 C 8 H 3 A 0.720 70.220 20 252.1 13.1 5.782E-04 3322608128.10937 64.40 187.7 187.7 13.960 84.180 72.569 -73.5 200.1 163.5 320 1334 C 8 H 3 A 0.730 70.230 20 247.8 13.3 5.529E-04 3322608132.70312 64.40 183.4 183.4 13.960 84.190 72.578 -74.9 215.0 164.9 320 1334 C 8 H 3 A 0.740 70.240 20 246.3 13.6 5.107E-04 3322608137.29687 64.40 181.9 181.9 13.960 84.200 72.586 -75.0 220.7 165.0 320 1334 C 8 H 3 A 0.750 70.250 20 246.5 13.9 4.500E-04 3322608141.89062 64.40 182.1 182.1 13.960 84.210 72.595 -74.8 220.1 164.8 320 1334 C 8 H 3 A 0.760 70.260 20 248.0 13.2 3.895E-04 3322608146.56250 64.40 183.6 183.6 13.960 84.220 72.603 -74.9 214.2 164.9 320 1334 C 8 H 3 A 0.770 70.270 20 245.9 11.4 3.405E-04 3322608151.15625 64.40 181.5 181.5 13.960 84.230 72.612 -76.2 221.8 166.2 320 1334 C 8 H 3 A 0.780 70.280 20 245.9 9.5 2.731E-04 3322608155.73437 64.40 181.5 181.5 13.960 84.240 72.621 -77.1 221.3 167.1 320 1334 C 8 H 3 A 0.790 70.290 20 245.7 6.5 2.380E-04 3322608160.37500 64.40 181.3 181.3 13.960 84.250 72.629 -78.7 221.4 168.7 320 1334 C 8 H 3 A 0.800 70.300 20 245.4 4.5 2.147E-04 3322608165.07812 64.40 181.0 181.0 13.960 84.260 72.638 -79.7 222.4 169.7 320 1334 C 8 H 3 A 0.810 70.310 20 237.5 3.3 1.903E-04 3322608169.67187 64.40 173.1 173.1 13.960 84.270 72.647 -78.2 263.8 168.2 320 1334 C 8 H 3 A 0.820 70.320 20 234.7 3.5 1.902E-04 3322608174.26562 64.40 170.3 170.3 13.960 84.280 72.655 -76.3 273.2 166.3 320 1334 C 8 H 3 A 0.830 70.330 20 240.6 4.4 1.573E-04 3322608178.85937 64.40 176.2 176.2 13.960 84.290 72.664 -79.1 248.6 169.1 320 1334 C 8 H 3 A 0.840 70.340 20 248.7 5.0 1.361E-04 3322608183.43750 64.40 184.3 184.3 13.960 84.300 72.672 -78.7 205.7 168.7 320 1334 C 8 H 3 A 0.850 70.350 20 241.7 6.2 1.393E-04 3322608188.03125 64.40 177.3 177.3 13.960 84.310 72.681 -78.6 241.8 168.6 320 1334 C 8 H 3 A 0.860 70.360 20 235.1 7.3 1.316E-04 3322608192.62500 64.40 170.7 170.7 13.960 84.320 72.690 -75.1 266.9 165.1 320 1334 C 8 H 3 A 0.870 70.370 20 236.3 8.8 1.128E-04 3322608197.21875 64.40 171.9 171.9 13.960 84.330 72.698 -75.2 261.3 165.2 320 1334 C 8 H 3 A 0.880 70.380 20 235.1 9.7 1.091E-04 3322608201.81250 64.40 170.7 170.7 13.960 84.340 72.707 -74.1 264.1 164.1 320 1334 C 8 H 3 A 0.890 70.390 20 224.4 12.6 1.067E-04 3322608206.40625 64.40 160.0 160.0 13.960 84.350 72.716 -65.4 282.8 155.4 320 1334 C 8 H 3 A 0.900 70.400 20 239.4 17.7 8.959E-05 3322608210.98437 64.40 175.0 175.0 13.960 84.360 72.724 -72.2 244.4 162.2 320 1334 C 8 H 3 A 0.910 70.410 20 232.1 19.3 9.668E-05 3322608215.57812 64.40 167.7 167.7 13.960 84.370 72.733 -68.3 262.6 158.3 320 1334 C 8 H 3 A 0.920 70.420 20 232.8 23.3 9.285E-05 3322608220.17187 64.40 168.4 168.4 13.960 84.380 72.741 -66.8 257.9 156.8 320 1334 C 8 H 3 A 0.930 70.430 20 242.0 29.1 8.347E-05 3322608224.76562 64.40 177.6 177.6 13.960 84.390 72.750 -66.3 233.8 156.3 320 1334 C 8 H 3 A 0.940 70.440 20 235.1 27.8 9.261E-05 3322608229.35937 64.40 170.7 170.7 13.960 84.400 72.759 -65.4 250.1 155.4 320 1334 C 8 H 3 A 0.950 70.450 20 240.0 26.2 9.976E-05 3322608233.95312 64.40 175.6 175.6 13.960 84.410 72.767 -67.8 239.4 157.8 320 1334 C 8 H 3 A 0.960 70.460 20 247.2 25.9 9.915E-05 3322608238.54687 64.40 182.8 182.8 13.960 84.420 72.776 -68.2 220.7 158.2 320 1334 C 8 H 3 A 0.970 70.470 20 246.9 24.4 1.038E-04 3322608243.14062 64.40 182.5 182.5 13.960 84.430 72.784 -69.1 221.2 159.1 320 1334 C 8 H 3 A 0.980 70.480 20 258.1 25.8 9.544E-05 3322608247.73437 64.40 193.7 193.7 13.960 84.440 72.793 -64.5 195.7 154.5 320 1334 C 8 H 3 A 0.990 70.490 20 270.0 25.9 9.377E-05 3322608252.32812 64.40 205.6 205.6 13.960 84.450 72.802 -56.6 178.3 146.6 320 1334 C 8 H 3 A 1.000 70.500 20 265.5 27.9 9.570E-05 3322608256.92187 64.40 201.1 201.1 13.960 84.460 72.810 -59.0 185.5 149.0 320 1334 C 8 H 3 A 1.010 70.510 20 289.4 28.8 1.037E-04 3322608261.51562 64.40 225.0 225.0 13.960 84.470 72.819 -39.7 165.7 129.7 320 1334 C 8 H 3 A 1.020 70.520 20 287.1 34.3 1.057E-04 3322608266.10937 64.40 222.7 222.7 13.960 84.480 72.828 -40.1 171.0 130.1 320 1334 C 8 H 3 A 1.030 70.530 20 282.2 39.5 1.105E-04 3322608270.68750 64.40 217.8 217.8 13.960 84.490 72.836 -42.1 178.2 132.1 320 1334 C 8 H 3 A 1.040 70.540 20 270.7 42.2 1.156E-04 3322608275.28125 64.40 206.3 206.3 13.960 84.500 72.845 -48.7 190.4 138.7 320 1334 C 8 H 3 A 1.050 70.550 20 245.0 39.8 1.298E-04 3322608279.87500 64.40 180.6 180.6 13.960 84.510 72.853 -59.4 226.9 149.4 320 1334 C 8 H 3 A 1.060 70.560 20 237.6 35.2 1.454E-04 3322608284.46875 64.40 173.2 173.2 13.960 84.520 72.862 -61.8 241.7 151.8 320 1334 C 8 H 3 A 1.070 70.570 20 235.8 31.1 1.520E-04 3322608289.06250 64.40 171.4 171.4 13.960 84.530 72.871 -63.8 247.0 153.8 320 1334 C 8 H 3 A 1.080 70.580 20 231.9 26.5 1.601E-04 3322608293.65625 64.40 167.5 167.5 13.960 84.540 72.879 -64.8 257.5 154.8 320 1334 C 8 H 3 A 1.090 70.590 20 232.9 24.1 1.549E-04 3322608298.23437 64.40 168.5 168.5 13.960 84.550 72.888 -66.4 257.2 156.4 320 1334 C 8 H 3 A 1.100 70.600 20 235.8 22.3 1.505E-04 3322608302.82812 64.40 171.4 171.4 13.960 84.560 72.897 -68.6 251.7 158.6 320 1334 C 8 H 3 A 1.110 70.610 20 234.9 19.3 1.593E-04 3322608307.42187 64.40 170.5 170.5 13.960 84.570 72.905 -69.7 256.0 159.7 320 1334 C 8 H 3 A 1.120 70.620 20 242.0 18.6 1.555E-04 3322608312.01562 64.40 177.6 177.6 13.960 84.580 72.914 -72.3 235.8 162.3 320 1334 C 8 H 3 A 1.130 70.630 20 242.6 16.2 1.739E-04 3322608316.60937 64.40 178.2 178.2 13.960 84.590 72.922 -73.6 234.4 163.6 320 1334 C 8 H 3 A 1.140 70.640 20 242.2 14.1 2.062E-04 3322608321.20312 64.40 177.8 177.8 13.960 84.600 72.931 -74.7 236.3 164.7 320 1334 C 8 H 3 A 1.150 70.650 20 244.1 11.7 2.440E-04 3322608325.79687 64.40 179.7 179.7 13.960 84.610 72.940 -76.1 229.3 166.1 320 1334 C 8 H 3 A 1.160 70.660 20 240.5 8.9 3.069E-04 3322608330.37500 64.40 176.1 176.1 13.960 84.620 72.948 -76.9 245.5 166.9 320 1334 C 8 H 3 A 1.170 70.670 20 237.5 7.0 3.627E-04 3322608334.96875 64.40 173.1 173.1 13.960 84.630 72.957 -76.6 259.2 166.6 320 1334 C 8 H 3 A 1.180 70.680 20 236.7 4.8 4.007E-04 3322608339.56250 64.40 172.3 172.3 13.960 84.640 72.966 -77.1 264.8 167.1 320 1334 C 8 H 3 A 1.190 70.690 20 234.6 2.5 4.299E-04 3322608344.15625 64.40 170.2 170.2 13.960 84.650 72.974 -76.5 275.0 166.5 320 1334 C 8 H 3 A 1.200 70.700 20 234.1 0.5 4.250E-04 3322608348.73437 64.40 169.7 169.7 13.960 84.660 72.983 -76.8 279.7 166.8 320 1334 C 8 H 3 A 1.210 70.710 20 230.6 -1.5 4.180E-04 3322608353.32812 64.40 166.2 166.2 13.960 84.670 72.991 -74.5 290.9 164.5 320 1334 C 8 H 3 A 1.220 70.720 20 233.3 -3.2 3.889E-04 3322608357.92187 64.40 168.9 168.9 13.960 84.680 73.000 -77.2 288.5 167.2 320 1334 C 8 H 3 A 1.230 70.730 20 232.3 -4.0 3.746E-04 3322608362.51562 64.40 167.9 167.9 13.960 84.690 73.009 -76.5 292.2 166.5 320 1334 C 8 H 3 A 1.240 70.740 20 233.8 -4.1 3.595E-04 3322608367.10937 64.40 169.4 169.4 13.960 84.700 73.017 -77.9 289.2 167.9 320 1334 C 8 H 3 A 1.250 70.750 20 229.7 -2.8 3.558E-04 3322608371.68750 64.40 165.3 165.3 13.960 84.710 73.026 -73.9 294.5 163.9 320 1334 C 8 H 3 A 1.260 70.760 20 240.3 -2.7 3.209E-04 3322608376.28125 64.40 175.9 175.9 13.960 84.720 73.034 -82.2 259.8 172.2 320 1334 C 8 H 3 A 1.270 70.770 20 245.7 -2.7 3.221E-04 3322608380.87500 64.40 181.3 181.3 13.960 84.730 73.043 -83.2 216.9 173.2 320 1334 C 8 H 3 A 1.280 70.780 20 245.7 -2.4 3.292E-04 3322608385.46875 64.40 181.3 181.3 13.960 84.740 73.052 -83.1 217.2 173.1 320 1334 C 8 H 3 A 1.290 70.790 20 248.6 -3.2 3.204E-04 3322608390.06250 64.40 184.2 184.2 13.960 84.750 73.060 -82.4 194.6 172.4 320 1334 C 8 H 3 A 1.300 70.800 20 243.3 -3.6 3.430E-04 3322608394.65625 64.40 178.9 178.9 13.960 84.760 73.069 -83.7 238.1 173.7 320 1334 C 8 H 3 A 1.310 70.810 20 236.2 -5.5 3.381E-04 3322608399.23437 64.40 171.8 171.8 13.960 84.770 73.078 -80.3 285.8 170.3 320 1334 C 8 H 3 A 1.320 70.820 20 224.9 -8.0 3.566E-04 3322608403.81250 64.40 160.5 160.5 13.960 84.780 73.086 -70.2 307.6 160.2 320 1334 C 8 H 3 A 1.330 70.830 20 217.6 -11.8 3.581E-04 3322608408.39062 64.40 153.2 153.2 13.960 84.790 73.095 -63.3 315.4 153.3 320 1334 C 8 H 3 A 1.340 70.840 20 216.7 -20.6 3.119E-04 3322608412.98437 64.40 152.3 152.3 13.960 84.800 73.103 -62.6 325.7 152.6 320 1334 C 8 H 3 A 1.350 70.850 20 211.0 -29.8 2.995E-04 3322608417.56250 64.40 146.6 146.6 13.960 84.810 73.112 -56.4 334.9 146.4 320 1334 C 8 H 3 A 1.360 70.860 20 209.9 -45.2 2.524E-04 3322608422.15625 64.40 145.5 145.5 13.960 84.820 73.121 -52.3 352.2 142.3 320 1334 C 8 H 3 A 1.370 70.870 20 217.4 -59.4 2.194E-04 3322608426.73437 64.40 153.0 153.0 13.960 84.830 73.129 -49.8 15.6 139.8 320 1334 C 8 H 3 A 1.380 70.880 20 262.6 -73.9 1.815E-04 3322608431.32812 64.40 198.2 198.2 13.960 84.840 73.138 -36.2 59.2 126.2 320 1334 C 8 H 3 A 1.390 70.890 20 324.4 -66.4 1.583E-04 3322608435.92187 64.40 260.0 260.0 13.960 84.850 73.147 -12.6 89.6 102.6 320 1334 C 8 H 3 A 1.400 70.900 20 337.0 -41.9 1.510E-04 3322608440.50000 64.40 272.6 -87.4 13.960 84.860 73.155 -0.9 113.8 90.9 320 1334 C 8 H 3 A 1.410 70.910 20 338.3 -19.5 1.679E-04 3322608445.09375 64.40 273.9 -86.1 13.960 84.870 73.164 2.4 127.5 87.6 320 1334 C 8 H 3 A 1.420 70.920 20 328.5 -6.1 1.596E-04 3322608449.68750 64.40 264.1 264.1 13.960 84.880 73.172 -6.3 135.8 96.3 320 1334 C 8 H 3 A 1.430 70.930 20 302.0 8.9 1.248E-04 3322608454.28125 64.40 237.6 237.6 13.960 84.890 73.181 -31.2 148.2 121.2 320 1334 C 8 H 3 A 1.440 70.940 20 294.0 18.7 1.367E-04 3322608458.87500 64.40 229.6 229.6 13.960 84.900 73.190 -37.6 156.7 127.6 320 1334 C 8 H 4 A 0.075 71.075 20 249.2 6.1 2.601E-04 3322614723.54687 64.40 184.8 184.8 13.960 85.035 73.306 -78.0 204.4 168.0 320 1334 C 8 H 4 A 0.100 71.100 20 251.7 3.0 3.415E-04 3322614728.48437 64.40 187.3 187.3 13.960 85.060 73.328 -78.0 190.3 168.0 320 1334 C 8 H 4 A 0.125 71.125 20 248.7 0.9 3.586E-04 3322614733.40625 64.40 184.3 184.3 13.960 85.085 73.349 -80.5 200.9 170.5 320 1334 C 8 H 4 A 0.150 71.150 20 242.2 0.2 3.613E-04 3322614738.34375 64.40 177.8 177.8 13.960 85.110 73.371 -81.6 243.3 171.6 320 1334 C 8 H 4 A 0.175 71.175 20 238.0 -0.1 3.810E-04 3322614743.28125 64.40 173.6 173.6 13.960 85.135 73.392 -79.8 267.1 169.8 320 1334 C 8 H 4 A 0.200 71.200 20 243.4 0.8 4.465E-04 3322614748.20312 64.40 179.0 179.0 13.960 85.160 73.414 -81.5 234.8 171.5 320 1334 C 8 H 4 A 0.225 71.225 20 247.5 1.9 6.407E-04 3322614753.14062 64.40 183.1 183.1 13.960 85.185 73.435 -80.5 208.8 170.5 320 1334 C 8 H 4 A 0.250 71.250 20 250.5 1.1 8.027E-04 3322614758.06250 64.40 186.1 186.1 13.960 85.210 73.457 -79.5 192.3 169.5 320 1334 C 8 H 4 A 0.275 71.275 20 250.3 -1.6 8.868E-04 3322614763.00000 64.40 185.9 185.9 13.960 85.235 73.478 -80.7 188.5 170.7 320 1334 C 8 H 4 A 0.300 71.300 20 248.2 -4.1 8.470E-04 3322614767.93750 64.40 183.8 183.8 13.960 85.260 73.500 -83.0 195.4 173.0 320 1334 C 8 H 4 A 0.325 71.325 20 245.1 -6.9 7.736E-04 3322614772.85937 64.40 180.7 180.7 13.960 85.285 73.522 -85.4 219.3 175.4 320 1334 C 8 H 4 A 0.350 71.350 20 244.7 -9.3 6.746E-04 3322614777.79687 64.40 180.3 180.3 13.960 85.310 73.543 -86.7 222.9 176.7 320 1334 C 8 H 4 A 0.375 71.375 20 245.3 -10.8 5.855E-04 3322614782.73437 64.40 180.9 180.9 13.960 85.335 73.565 -87.3 208.7 177.3 320 1334 C 8 H 4 A 0.400 71.400 20 245.6 -13.2 4.332E-04 3322614787.65625 64.40 181.2 181.2 13.960 85.360 73.586 -88.2 185.7 178.2 320 1334 C 8 H 4 A 0.425 71.425 20 245.5 -18.2 2.767E-04 3322614792.59375 64.40 181.1 181.1 13.960 85.385 73.608 -88.3 87.1 178.3 320 1334 C 8 H 4 A 0.450 71.450 20 243.5 -41.2 1.165E-04 3322614797.53125 64.40 179.1 179.1 13.960 85.410 73.629 -74.3 45.0 164.3 320 1334 C 8 H 4 A 0.475 71.475 20 96.0 -79.3 7.008E-05 3322614802.45312 64.40 31.6 31.6 13.960 85.435 73.651 9.7 37.2 80.3 320 1334 C 8 H 4 A 0.500 71.500 20 112.4 -47.9 7.732E-05 3322614807.39062 64.40 48.0 48.0 13.960 85.460 73.672 30.8 358.8 59.2 320 1334 C 8 H 4 A 0.525 71.525 20 133.1 -44.2 6.621E-05 3322614812.32812 64.40 68.7 68.7 13.960 85.485 73.694 15.2 347.8 74.8 320 1334 C 8 H 4 A 0.550 71.550 20 199.4 -40.9 4.920E-05 3322614817.25000 64.40 135.0 135.0 13.960 85.510 73.716 -44.3 343.1 134.3 320 1334 C 8 H 4 A 0.575 71.575 20 298.5 -44.9 4.617E-05 3322614822.17187 64.40 234.1 234.1 13.960 85.535 73.737 -35.6 111.1 125.6 320 1334 C 8 H 4 A 0.600 71.600 20 300.9 -45.6 5.275E-05 3322614827.10937 64.40 236.5 236.5 13.960 85.560 73.759 -33.4 110.8 123.4 320 1334 C 8 H 4 A 0.625 71.625 20 30.8 -53.4 5.661E-05 3322614832.03125 64.40 326.4 -33.6 13.960 85.585 73.780 37.3 83.3 52.7 320 1334 C 8 H 4 A 0.650 71.650 20 57.9 -34.5 1.051E-04 3322614836.96875 64.40 353.5 -6.5 13.960 85.610 73.802 62.3 61.3 27.7 320 1334 C 8 H 4 A 0.675 71.675 20 69.4 -24.6 1.805E-04 3322614841.90625 64.40 5.0 5.0 13.960 85.635 73.823 68.5 34.6 21.5 320 1334 C 8 H 4 A 0.700 71.700 20 74.3 -16.7 2.991E-04 3322614846.82812 64.40 9.9 9.9 13.960 85.660 73.845 70.8 17.0 19.3 320 1334 C 8 H 4 A 0.725 71.725 20 79.7 -12.2 4.639E-04 3322614851.76562 64.40 15.3 15.3 13.960 85.685 73.866 69.2 0.5 20.8 320 1334 C 8 H 4 A 0.750 71.750 20 84.8 -5.8 1.375E-03 3322614856.68750 64.40 20.4 20.4 13.960 85.710 73.888 66.9 345.4 23.1 320 1334 C 8 H 4 A 0.775 71.775 20 75.2 -9.1 1.126E-03 3322614861.62500 64.40 10.8 10.8 13.960 85.735 73.909 73.4 7.1 16.6 320 1334 C 8 H 4 A 0.800 71.800 20 66.5 -5.9 1.308E-03 3322614866.54687 64.40 2.1 2.1 13.960 85.760 73.931 78.8 37.1 11.2 320 1334 C 8 H 4 A 0.825 71.825 20 62.5 -2.5 1.236E-03 3322614871.48437 64.40 358.1 -1.9 13.960 85.785 73.953 80.6 59.7 9.4 320 1334 C 8 H 4 A 0.850 71.850 20 61.8 -2.2 9.113E-04 3322614876.40625 64.40 357.4 -2.6 13.960 85.810 73.974 80.5 64.0 9.5 320 1334 C 8 H 4 A 0.875 71.875 20 63.9 -7.8 6.693E-04 3322614881.34375 64.40 359.5 -0.5 13.960 85.835 73.996 78.1 50.4 11.9 320 1334 C 8 H 4 A 0.900 71.900 20 54.2 -20.1 5.250E-04 3322614886.28125 64.40 349.8 -10.2 13.960 85.860 74.017 69.0 77.1 21.0 320 1334 C 8 H 4 A 0.925 71.925 20 39.2 -29.1 4.627E-04 3322614891.20312 64.40 334.8 -25.2 13.960 85.885 74.039 55.7 94.7 34.3 320 1334 C 8 H 4 A 0.950 71.950 20 41.6 -37.9 3.689E-04 3322614896.14062 64.40 337.2 -22.8 13.960 85.910 74.060 53.2 85.1 36.9 320 1334 C 8 H 4 A 0.975 71.975 20 38.8 -39.3 3.389E-04 3322614901.06250 64.40 334.4 -25.6 13.960 85.935 74.082 50.7 87.2 39.3 320 1334 C 8 H 4 A 1.000 72.000 20 44.2 -35.4 3.342E-04 3322614906.00000 64.40 339.8 -20.2 13.960 85.960 74.103 56.0 83.6 34.0 320 1334 C 8 H 4 A 1.025 72.025 20 45.3 -28.5 3.583E-04 3322614910.92187 64.40 340.9 -19.1 13.960 85.985 74.125 60.1 87.3 29.9 320 1334 C 8 H 4 A 1.050 72.050 20 48.1 -22.4 3.728E-04 3322614915.85937 64.40 343.7 -16.3 13.960 86.010 74.147 64.5 87.8 25.5 320 1334 C 8 H 4 A 1.075 72.075 20 60.6 -18.7 3.329E-04 3322614920.78125 64.40 356.2 -3.8 13.960 86.035 74.168 72.0 60.2 18.0 320 1334 C 8 H 4 A 1.100 72.100 20 66.9 -17.9 2.687E-04 3322614925.71875 64.40 2.5 2.5 13.960 86.060 74.190 72.7 39.7 17.4 320 1334 C 8 H 4 A 1.125 72.125 20 87.3 -24.3 1.728E-04 3322614930.65625 64.40 22.9 22.9 13.960 86.085 74.211 59.2 0.1 30.8 320 1334 C 8 H 4 A 1.150 72.150 20 109.5 -36.9 1.108E-04 3322614935.59375 64.40 45.1 45.1 13.960 86.110 74.233 37.3 351.6 52.7 320 1334 C 8 H 4 A 1.175 72.175 20 150.3 -39.4 8.003E-05 3322614940.51562 64.40 85.9 85.9 13.960 86.135 74.254 0.7 340.7 89.3 320 1334 C 8 H 4 A 1.200 72.200 20 265.6 -4.7 4.312E-04 3322614945.45312 64.40 201.2 201.2 13.960 86.160 74.276 -68.2 151.9 158.2 320 1334 C 8 H 4 A 1.225 72.225 20 202.6 -29.9 4.479E-05 3322614950.39062 64.40 138.2 138.2 13.960 86.185 74.297 -48.4 333.2 138.4 320 1334 C 8 H 4 A 1.250 72.250 20 212.0 -17.9 5.409E-05 3322614955.31250 64.40 147.6 147.6 13.960 86.210 74.319 -58.0 322.6 148.0 320 1334 C 8 H 4 A 1.275 72.275 20 206.5 -7.3 1.014E-04 3322614960.25000 64.40 142.1 142.1 13.960 86.235 74.341 -52.1 313.7 142.1 320 1334 C 8 H 4 A 1.300 72.300 20 221.4 -8.6 1.079E-04 3322614965.18750 64.40 157.0 157.0 13.960 86.260 74.362 -66.9 310.3 156.9 320 1334 C 8 H 4 A 1.325 72.325 20 212.5 -9.6 1.607E-04 3322614970.10937 64.40 148.1 148.1 13.960 86.285 74.384 -58.2 314.3 148.2 320 1334 C 8 H 4 A 1.350 72.350 20 218.1 -15.2 1.692E-04 3322614975.04687 64.40 153.7 153.7 13.960 86.310 74.405 -64.0 319.3 154.0 320 1334 C 8 H 4 A 1.375 72.375 20 222.9 -20.5 1.798E-04 3322614979.98437 64.40 158.5 158.5 13.960 86.335 74.427 -68.6 326.7 158.6 320 1334 C 8 H 4 A 1.400 72.400 20 224.4 -17.7 2.312E-04 3322614984.90625 64.40 160.0 160.0 13.960 86.360 74.448 -70.2 322.6 160.2 320 1334 C 8 H 4 A 1.425 72.425 20 229.7 -16.9 2.566E-04 3322614989.84375 64.40 165.3 165.3 13.960 86.385 74.470 -75.4 321.6 165.4 320 1334 C 8 H 5 A 0.075 72.575 20 253.5 -2.8 2.706E-04 3322615784.40625 64.40 189.1 189.1 13.960 86.535 74.599 -78.8 173.6 168.8 320 1334 C 8 H 5 A 0.100 72.600 20 238.7 -4.9 2.201E-04 3322615789.32812 64.40 174.3 174.3 13.960 86.560 74.621 -82.1 274.0 172.1 320 1334 C 8 H 5 A 0.125 72.625 20 242.3 -5.9 2.150E-04 3322615794.26562 64.40 177.9 177.9 13.960 86.585 74.642 -84.5 250.7 174.5 320 1334 C 8 H 5 A 0.150 72.650 20 233.5 -3.4 2.858E-04 3322615799.18750 64.40 169.1 169.1 13.960 86.610 74.664 -77.5 288.5 167.5 320 1334 C 8 H 5 A 0.175 72.675 20 230.8 -1.7 3.486E-04 3322615804.12500 64.40 166.4 166.4 13.960 86.635 74.685 -74.7 290.9 164.7 320 1334 C 8 H 5 A 0.200 72.700 20 237.6 -1.0 3.300E-04 3322615809.04687 64.40 173.2 173.2 13.960 86.660 74.707 -79.9 270.5 169.9 320 1334 C 8 H 5 A 0.225 72.725 20 237.4 -0.9 3.654E-04 3322615813.98437 64.40 173.0 173.0 13.960 86.685 74.728 -79.7 271.1 169.7 320 1334 C 8 H 5 A 0.250 72.750 20 238.9 -1.9 4.066E-04 3322615818.90625 64.40 174.5 174.5 13.960 86.710 74.750 -81.1 266.2 171.1 320 1334 C 8 H 5 A 0.275 72.775 20 239.3 -2.1 4.667E-04 3322615823.84375 64.40 174.9 174.9 13.960 86.735 74.772 -81.4 264.5 171.4 320 1334 C 8 H 5 A 0.300 72.800 20 242.0 -1.2 4.912E-04 3322615828.78125 64.40 177.6 177.6 13.960 86.760 74.793 -82.2 246.1 172.2 320 1334 C 8 H 5 A 0.325 72.825 20 242.8 0.2 5.093E-04 3322615833.70312 64.40 178.4 178.4 13.960 86.785 74.815 -81.7 239.2 171.7 320 1334 C 8 H 5 A 0.350 72.850 20 244.2 0.7 4.820E-04 3322615838.64062 64.40 179.8 179.8 13.960 86.810 74.836 -81.7 229.4 171.7 320 1334 C 8 H 5 A 0.375 72.875 20 241.9 0.2 3.993E-04 3322615843.56250 64.40 177.5 177.5 13.960 86.835 74.858 -81.5 245.2 171.5 320 1334 C 8 H 5 A 0.400 72.900 20 240.8 -2.2 3.097E-04 3322615848.50000 64.40 176.4 176.4 13.960 86.860 74.879 -82.2 255.7 172.2 320 1334 C 8 H 5 A 0.425 72.925 20 226.6 -7.5 2.607E-04 3322615853.43750 64.40 162.2 162.2 13.960 86.885 74.901 -71.8 305.6 161.8 320 1334 C 8 H 5 A 0.450 72.950 20 224.6 -12.8 2.253E-04 3322615858.35937 64.40 160.2 160.2 13.960 86.910 74.922 -70.3 314.9 160.3 320 1334 C 8 H 5 A 0.475 72.975 20 227.4 -19.0 2.060E-04 3322615863.29687 64.40 163.0 163.0 13.960 86.935 74.944 -73.1 325.3 163.1 320 1334 C 8 H 5 A 0.500 73.000 20 228.0 -25.5 1.962E-04 3322615868.23437 64.40 163.6 163.6 13.960 86.960 74.966 -73.0 338.0 163.0 320 1334 C 8 H 5 A 0.525 73.025 20 223.7 -36.2 1.549E-04 3322615873.15625 64.40 159.3 159.3 13.960 86.985 74.987 -66.6 351.3 156.6 320 1334 C 8 H 5 A 0.550 73.050 20 210.4 -45.2 1.270E-04 3322615878.09375 64.40 146.0 146.0 13.960 87.010 75.009 -52.7 352.5 142.7 320 1334 C 8 H 5 A 0.575 73.075 20 91.6 -74.4 9.797E-05 3322615883.03125 64.40 27.2 27.2 13.960 87.035 75.030 17.9 34.5 72.1 320 1334 C 8 H 5 A 0.600 73.100 20 69.4 -40.6 1.510E-04 3322615887.96875 64.40 5.0 5.0 13.960 87.060 75.052 58.4 39.2 31.6 320 1334 C 8 H 5 A 0.625 73.125 20 68.3 -23.6 2.568E-04 3322615892.90625 64.40 3.9 3.9 13.960 87.085 75.073 69.3 37.2 20.7 320 1334 C 8 H 5 A 0.650 73.150 20 71.0 -17.0 3.529E-04 3322615897.82812 64.40 6.6 6.6 13.960 87.110 75.095 72.1 26.4 17.9 320 1334 C 8 H 5 A 0.675 73.175 20 65.4 -14.3 3.964E-04 3322615902.76562 64.40 1.0 1.0 13.960 87.135 75.116 74.7 44.3 15.3 320 1334 C 8 H 5 A 0.700 73.200 20 69.7 -13.3 3.503E-04 3322615907.68750 64.40 5.3 5.3 13.960 87.160 75.138 74.3 28.2 15.7 320 1334 C 8 H 5 A 0.725 73.225 20 67.1 -12.6 3.180E-04 3322615912.62500 64.40 2.7 2.7 13.960 87.185 75.159 75.4 37.3 14.6 320 1334 C 8 H 5 A 0.750 73.250 20 71.9 -9.1 3.418E-04 3322615917.54687 64.40 7.5 7.5 13.960 87.210 75.181 75.4 17.0 14.6 320 1334 C 8 H 5 A 0.775 73.275 20 72.5 -5.5 4.221E-04 3322615922.48437 64.40 8.1 8.1 13.960 87.235 75.203 76.6 10.8 13.5 320 1334 C 8 H 5 A 0.800 73.300 20 71.8 -2.9 5.060E-04 3322615927.40625 64.40 7.4 7.4 13.960 87.260 75.224 78.0 9.7 12.0 320 1334 C 8 H 5 A 0.825 73.325 20 72.8 -1.3 5.438E-04 3322615932.34375 64.40 8.4 8.4 13.960 87.285 75.246 78.0 3.6 12.0 320 1334 C 8 H 5 A 0.850 73.350 20 68.1 0.4 6.029E-04 3322615937.28125 64.40 3.7 3.7 13.960 87.310 75.267 81.4 22.6 8.6 320 1334 C 8 H 5 A 0.875 73.375 20 66.0 1.3 6.573E-04 3322615942.21875 64.40 1.6 1.6 13.960 87.335 75.289 82.5 35.7 7.5 320 1334 C 8 H 5 A 0.900 73.400 20 67.1 1.5 6.248E-04 3322615947.14062 64.40 2.7 2.7 13.960 87.360 75.310 82.3 27.5 7.7 320 1334 C 8 H 5 A 0.925 73.425 20 64.4 0.4 5.077E-04 3322615952.07812 64.40 0.0 0.0 13.960 87.385 75.332 82.2 48.0 7.8 320 1334 C 8 H 5 A 0.950 73.450 20 71.5 -2.1 3.426E-04 3322615957.01562 64.40 7.1 7.1 13.960 87.410 75.353 78.5 9.7 11.5 320 1334 C 8 H 5 A 0.975 73.475 20 78.9 -9.8 2.050E-04 3322615961.95312 64.40 14.5 14.5 13.960 87.435 75.375 70.6 359.4 19.4 320 1334 C 8 H 5 A 1.000 73.500 20 84.3 -21.8 1.421E-04 3322615966.87500 64.40 19.9 19.9 13.960 87.460 75.397 62.4 2.0 27.7 320 1334 C 8 H 5 A 1.025 73.525 20 104.2 -30.9 1.396E-04 3322615971.81250 64.40 39.8 39.8 13.960 87.485 75.418 43.6 350.2 46.5 320 1334 C 8 H 5 A 1.050 73.550 20 90.2 -30.7 1.685E-04 3322615976.75000 64.40 25.8 25.8 13.960 87.510 75.440 54.6 2.0 35.4 320 1334 C 8 H 5 A 1.075 73.575 20 78.8 -22.5 2.669E-04 3322615981.68750 64.40 14.4 14.4 13.960 87.535 75.461 65.6 11.8 24.4 320 1334 C 8 H 5 A 1.100 73.600 20 71.6 -16.5 3.804E-04 3322615986.60937 64.40 7.2 7.2 13.960 87.560 75.483 72.1 24.3 17.9 320 1334 C 8 H 5 A 1.125 73.625 20 68.2 -10.8 5.124E-04 3322615991.54687 64.40 3.8 3.8 13.960 87.585 75.504 76.0 32.2 14.0 320 1334 C 8 H 5 A 1.150 73.650 20 65.3 -5.3 6.473E-04 3322615996.48437 64.40 0.9 0.9 13.960 87.610 75.526 79.3 43.2 10.7 320 1334 C 8 H 5 A 1.175 73.675 20 65.8 -1.2 7.623E-04 3322616001.42187 64.40 1.4 1.4 13.960 87.635 75.547 81.3 38.8 8.7 320 1334 C 8 H 5 A 1.200 73.700 20 67.2 1.2 8.325E-04 3322616006.34375 64.40 2.8 2.8 13.960 87.660 75.569 82.1 27.2 7.9 320 1334 C 8 H 5 A 1.225 73.725 20 68.6 1.7 8.622E-04 3322616011.28125 64.40 4.2 4.2 13.960 87.685 75.591 81.7 17.5 8.3 320 1334 C 8 H 5 A 1.250 73.750 20 68.3 1.4 8.473E-04 3322616016.21875 64.40 3.9 3.9 13.960 87.710 75.612 81.7 19.8 8.3 320 1334 C 8 H 5 A 1.275 73.775 20 69.5 0.5 7.709E-04 3322616021.14062 64.40 5.1 5.1 13.960 87.735 75.634 80.7 14.5 9.3 320 1334 C 8 H 5 A 1.300 73.800 20 68.6 -2.4 6.757E-04 3322616026.07812 64.40 4.2 4.2 13.960 87.760 75.655 79.9 23.4 10.1 320 1334 C 8 H 5 A 1.325 73.825 20 72.6 -5.0 5.827E-04 3322616031.01562 64.40 8.2 8.2 13.960 87.785 75.677 76.7 9.8 13.3 320 1334 C 8 H 5 A 1.350 73.850 20 69.7 -7.6 5.146E-04 3322616035.95312 64.40 5.3 5.3 13.960 87.810 75.698 77.1 23.7 13.0 320 1334 C 8 H 5 A 1.375 73.875 20 66.1 -10.3 4.858E-04 3322616040.87500 64.40 1.7 1.7 13.960 87.835 75.720 76.7 40.7 13.3 320 1334 C 8 H 5 A 1.400 73.900 20 66.7 -12.0 4.850E-04 3322616045.81250 64.40 2.3 2.3 13.960 87.860 75.741 75.8 38.7 14.3 320 1334 C 8 H 5 A 1.425 73.925 20 66.6 -10.9 5.467E-04 3322616050.75000 64.40 2.2 2.2 13.960 87.885 75.763 76.3 38.7 13.7 320 1334 C 8 H 6 A 0.075 74.075 20 76.1 -5.0 8.652E-04 3322618348.00000 64.40 11.7 11.7 13.960 88.035 75.892 74.3 359.6 15.7 320 1334 C 8 H 6 A 0.100 74.100 20 79.1 -2.8 1.402E-03 3322618352.92187 64.40 14.7 14.7 13.960 88.060 75.914 72.6 350.1 17.4 320 1334 C 8 H 6 A 0.125 74.125 20 70.8 -4.0 8.082E-04 3322618357.85937 64.40 6.4 6.4 13.960 88.085 75.935 78.1 15.2 11.9 320 1334 C 8 H 6 A 0.150 74.150 20 69.9 -3.4 7.323E-04 3322618362.78125 64.40 5.5 5.5 13.960 88.110 75.957 78.9 18.3 11.1 320 1334 C 8 H 6 A 0.175 74.175 20 71.9 -4.2 6.644E-04 3322618367.71875 64.40 7.5 7.5 13.960 88.135 75.978 77.4 11.2 12.6 320 1334 C 8 H 6 A 0.200 74.200 20 70.5 -7.2 6.409E-04 3322618372.65625 64.40 6.1 6.1 13.960 88.160 76.000 76.9 20.2 13.1 320 1334 C 8 H 6 A 0.225 74.225 20 73.5 -10.0 6.355E-04 3322618377.59375 64.40 9.1 9.1 13.960 88.185 76.022 74.1 12.9 15.9 320 1334 C 8 H 6 A 0.250 74.250 20 71.8 -11.9 6.971E-04 3322618382.51562 64.40 7.4 7.4 13.960 88.210 76.043 74.2 20.0 15.8 320 1334 C 8 H 6 A 0.275 74.275 20 72.3 -12.0 7.721E-04 3322618387.45312 64.40 7.9 7.9 13.960 88.235 76.065 73.9 18.5 16.1 320 1334 C 8 H 6 A 0.300 74.300 20 71.3 -10.1 8.697E-04 3322618392.39062 64.40 6.9 6.9 13.960 88.260 76.086 75.2 20.1 14.8 320 1334 C 8 H 6 A 0.325 74.325 20 69.5 -8.0 9.222E-04 3322618397.31250 64.40 5.1 5.1 13.960 88.285 76.108 77.0 24.9 13.1 320 1334 C 8 H 6 A 0.350 74.350 20 68.6 -6.1 9.401E-04 3322618402.25000 64.40 4.2 4.2 13.960 88.310 76.129 78.2 27.1 11.8 320 1334 C 8 H 6 A 0.375 74.375 20 69.5 -5.0 9.000E-04 3322618407.17187 64.40 5.1 5.1 13.960 88.335 76.151 78.3 22.0 11.7 320 1334 C 8 H 6 A 0.400 74.400 20 66.4 -4.7 7.875E-04 3322618412.10937 64.40 2.0 2.0 13.960 88.360 76.172 79.5 37.0 10.5 320 1334 C 8 H 6 A 0.425 74.425 20 67.4 -4.9 6.103E-04 3322618417.03125 64.40 3.0 3.0 13.960 88.385 76.194 79.1 31.9 10.9 320 1334 C 8 H 6 A 0.450 74.450 20 67.8 -6.2 4.393E-04 3322618421.96875 64.40 3.4 3.4 13.960 88.410 76.216 78.4 30.9 11.6 320 1334 C 8 H 6 A 0.475 74.475 20 70.5 -6.5 3.420E-04 3322618426.90625 64.40 6.1 6.1 13.960 88.435 76.237 77.2 19.4 12.8 320 1334 C 8 H 6 A 0.500 74.500 20 78.8 -7.4 2.355E-04 3322618431.82812 64.40 14.4 14.4 13.960 88.460 76.259 71.5 356.7 18.5 320 1334 C 8 H 6 A 0.525 74.525 20 90.6 -7.6 1.937E-04 3322618436.76562 64.40 26.2 26.2 13.960 88.485 76.280 61.3 341.4 28.7 320 1334 C 8 H 6 A 0.550 74.550 20 106.2 -10.6 1.570E-04 3322618441.70312 64.40 41.8 41.8 13.960 88.510 76.302 46.2 334.5 43.8 320 1334 C 8 H 6 A 0.575 74.575 20 91.6 -12.7 1.537E-04 3322618446.62500 64.40 27.2 27.2 13.960 88.535 76.323 59.3 345.3 30.7 320 1334 C 8 H 6 A 0.600 74.600 20 77.8 -6.9 1.853E-04 3322618451.56250 64.40 13.4 13.4 13.960 88.560 76.345 72.4 358.2 17.6 320 1334 C 8 H 6 A 0.625 74.625 20 74.7 2.4 2.619E-04 3322618456.50000 64.40 10.3 10.3 13.960 88.585 76.366 77.7 351.0 12.3 320 1334 C 8 H 6 A 0.650 74.650 20 68.0 6.5 3.137E-04 3322618461.42187 64.40 3.6 3.6 13.960 88.610 76.388 84.1 10.8 5.9 320 1334 C 8 H 6 A 0.675 74.675 20 71.2 6.5 3.719E-04 3322618466.35937 64.40 6.8 6.8 13.960 88.635 76.409 81.7 352.7 8.3 320 1334 C 8 H 6 A 0.700 74.700 20 69.3 6.1 4.449E-04 3322618471.28125 64.40 4.9 4.9 13.960 88.660 76.431 83.1 3.1 6.9 320 1334 C 8 H 6 A 0.725 74.725 20 64.6 7.3 5.621E-04 3322618476.21875 64.40 0.2 0.2 13.960 88.685 76.453 85.7 45.4 4.3 320 1334 C 8 H 6 A 0.750 74.750 20 63.8 8.5 6.589E-04 3322618481.15625 64.40 359.4 -0.6 13.960 88.710 76.474 86.2 57.2 3.8 320 1334 C 8 H 6 A 0.775 74.775 20 64.1 9.2 7.161E-04 3322618486.07812 64.40 359.7 -0.3 13.960 88.735 76.496 86.6 53.1 3.4 320 1334 C 8 H 6 A 0.800 74.800 20 66.0 9.7 6.995E-04 3322618491.01562 64.40 1.6 1.6 13.960 88.760 76.517 86.5 20.9 3.5 320 1334 C 8 H 6 A 0.825 74.825 20 66.9 10.1 6.140E-04 3322618495.93750 64.40 2.5 2.5 13.960 88.785 76.539 86.2 7.4 3.8 320 1334 C 8 H 6 A 0.850 74.850 20 72.2 7.8 5.096E-04 3322618500.87500 64.40 7.8 7.8 13.960 88.810 76.560 81.2 345.3 8.8 320 1334 C 8 H 6 A 0.875 74.875 20 77.2 0.9 4.650E-04 3322618505.81250 64.40 12.8 12.8 13.960 88.835 76.582 75.2 348.0 14.8 320 1334 C 8 H 6 A 0.900 74.900 20 77.1 -7.7 4.817E-04 3322618510.73437 64.40 12.7 12.7 13.960 88.860 76.603 72.6 0.7 17.4 320 1334 C 8 H 6 A 0.925 74.925 20 74.1 -10.3 5.267E-04 3322618515.67187 64.40 9.7 9.7 13.960 88.885 76.625 73.6 11.5 16.4 320 1334 C 8 H 6 A 0.950 74.950 20 72.1 -8.5 5.302E-04 3322618520.60937 64.40 7.7 7.7 13.960 88.910 76.647 75.5 15.7 14.5 320 1334 C 8 H 6 A 0.975 74.975 20 71.5 -5.3 5.254E-04 3322618525.53125 64.40 7.1 7.1 13.960 88.935 76.668 77.2 14.1 12.8 320 1334 C 8 H 6 A 1.000 75.000 20 67.9 -2.9 5.331E-04 3322618530.46875 64.40 3.5 3.5 13.960 88.960 76.690 79.9 27.6 10.1 320 1334 C 8 H 6 A 1.025 75.025 20 70.9 -2.3 5.490E-04 3322618535.40625 64.40 6.5 6.5 13.960 88.985 76.711 78.8 12.4 11.2 320 1334 C 8 H 6 A 1.050 75.050 20 68.9 -2.3 6.195E-04 3322618540.32812 64.40 4.5 4.5 13.960 89.010 76.733 79.8 21.7 10.2 320 1334 C 8 H 6 A 1.075 75.075 20 73.3 -2.4 7.256E-04 3322618545.26562 64.40 8.9 8.9 13.960 89.035 76.754 77.2 3.7 12.8 320 1334 C 8 H 6 A 1.100 75.100 20 73.2 -2.9 8.132E-04 3322618550.18750 64.40 8.8 8.8 13.960 89.060 76.776 77.1 4.8 12.9 320 1334 C 8 H 6 A 1.125 75.125 20 73.3 -3.7 7.758E-04 3322618555.12500 64.40 8.9 8.9 13.960 89.085 76.797 76.7 5.6 13.3 320 1334 C 8 H 6 A 1.150 75.150 20 78.3 -3.6 6.318E-04 3322618560.04687 64.40 13.9 13.9 13.960 89.110 76.819 73.0 352.7 17.0 320 1334 C 8 H 6 A 1.175 75.175 20 78.1 -3.1 4.993E-04 3322618564.98437 64.40 13.7 13.7 13.960 89.135 76.841 73.3 352.4 16.7 320 1334 C 8 H 6 A 1.200 75.200 20 79.6 -3.2 3.418E-04 3322618569.90625 64.40 15.2 15.2 13.960 89.160 76.862 72.1 349.7 17.9 320 1334 C 8 H 6 A 1.225 75.225 20 88.2 -3.3 2.636E-04 3322618574.84375 64.40 23.8 23.8 13.960 89.185 76.884 64.4 339.2 25.6 320 1334 C 8 H 6 A 1.250 75.250 20 80.2 -3.0 2.038E-04 3322618579.78125 64.40 15.8 15.8 13.960 89.210 76.905 71.6 348.5 18.4 320 1334 C 8 H 6 A 1.275 75.275 20 86.2 3.5 1.424E-04 3322618584.70312 64.40 21.8 21.8 13.960 89.235 76.927 67.4 332.9 22.6 320 1334 C 8 H 6 A 1.300 75.300 20 269.7 5.1 4.409E-04 3322618589.64062 64.40 205.3 205.3 13.960 89.260 76.948 -62.7 159.7 152.7 320 1334 C 8 H 6 A 1.325 75.325 20 223.6 22.4 1.643E-04 3322618594.56250 64.40 159.2 159.2 13.960 89.285 76.970 -61.5 274.8 151.5 320 1334 C 8 H 6 A 1.350 75.350 20 234.0 8.2 3.502E-04 3322618599.50000 64.40 169.6 169.6 13.960 89.310 76.991 -74.1 269.0 164.1 320 1334 C 8 H 6 A 1.375 75.375 20 241.6 -2.0 5.346E-04 3322618604.43750 64.40 177.2 177.2 13.960 89.335 77.013 -82.5 249.9 172.5 320 1334 C 8 H 6 A 1.400 75.400 20 255.6 -3.5 1.421E-03 3322618609.35937 64.40 191.2 191.2 13.960 89.360 77.034 -77.2 166.7 167.2 320 1334 C 8 H 6 A 1.425 75.425 20 249.6 -6.3 1.098E-03 3322618614.29687 64.40 185.2 185.2 13.960 89.385 77.056 -82.9 180.8 172.9 320 1334 C 8 H 7 A 0.075 75.575 20 248.5 -5.8 1.179E-03 3322617337.68750 64.40 184.1 184.1 13.960 89.535 77.185 -83.5 189.1 173.5 320 1334 C 8 H 7 A 0.100 75.600 20 248.0 -7.2 1.129E-03 3322617342.62500 64.40 183.6 183.6 13.960 89.560 77.207 -84.3 188.6 174.3 320 1334 C 8 H 7 A 0.125 75.625 20 247.7 -8.4 1.047E-03 3322617347.54687 64.40 183.3 183.3 13.960 89.585 77.228 -85.0 186.9 175.0 320 1334 C 8 H 7 A 0.150 75.650 20 249.1 -7.3 1.026E-03 3322617352.48437 64.40 184.7 184.7 13.960 89.610 77.250 -83.6 180.6 173.6 320 1334 C 8 H 7 A 0.175 75.675 20 250.6 -6.2 9.955E-04 3322617357.40625 64.40 186.2 186.2 13.960 89.635 77.272 -82.1 176.1 172.1 320 1334 C 8 H 7 A 0.200 75.700 20 255.2 -6.1 8.899E-04 3322617362.34375 64.40 190.8 190.8 13.960 89.660 77.293 -78.2 162.1 168.2 320 1334 C 8 H 7 A 0.225 75.725 20 257.2 -6.2 6.949E-04 3322617367.28125 64.40 192.8 192.8 13.960 89.685 77.315 -76.4 158.3 166.4 320 1334 C 8 H 7 A 0.250 75.750 20 258.4 -4.6 4.424E-04 3322617372.20312 64.40 194.0 194.0 13.960 89.710 77.336 -74.9 159.5 164.9 320 1334 C 8 H 7 A 0.275 75.775 20 90.9 -0.5 6.154E-04 3322617377.14062 64.40 26.5 26.5 13.960 89.735 77.358 62.3 334.1 27.7 320 1334 C 8 H 7 A 0.300 75.800 20 70.5 1.0 2.388E-04 3322617382.06250 64.40 6.1 6.1 13.960 89.760 77.379 80.4 8.7 9.7 320 1334 C 8 H 7 A 0.325 75.825 20 70.7 0.2 5.049E-04 3322617387.00000 64.40 6.3 6.3 13.960 89.785 77.401 79.9 9.3 10.1 320 1334 C 8 H 7 A 0.575 76.075 20 75.7 -12.1 4.739E-04 3322617436.32812 64.40 11.3 11.3 13.960 90.035 77.616 71.9 9.1 18.1 320 1334 C 9 H 1 A 0.450 76.450 20 199.0 17.2 4.076E-04 3322619537.45312 217.40 341.6 -18.4 16.300 92.750 79.957 71.8 141.9 18.2 320 1334 C 9 H 1 A 0.475 76.475 20 202.9 20.2 4.017E-04 3322619542.39062 217.40 345.5 -14.5 16.300 92.775 79.978 75.5 148.8 14.5 320 1334 C 9 H 1 A 0.500 76.500 20 202.0 18.8 4.567E-04 3322619547.32812 217.40 344.6 -15.4 16.300 92.800 80.000 74.7 145.4 15.3 320 1334 C 9 H 1 A 0.525 76.525 20 209.3 14.3 4.630E-04 3322619552.25000 217.40 351.9 -8.1 16.300 92.825 80.022 81.9 133.3 8.1 320 1334 C 9 H 1 A 0.550 76.550 20 227.6 6.0 6.153E-04 3322619557.18750 217.40 10.2 10.2 16.300 92.850 80.043 78.7 343.7 11.3 320 1334 C 9 H 1 A 0.575 76.575 20 242.6 4.2 7.117E-04 3322619562.12500 217.40 25.2 25.2 16.300 92.875 80.065 64.2 329.9 25.8 320 1334 C 9 H 1 A 0.600 76.600 20 239.3 8.6 7.211E-04 3322619567.06250 217.40 21.9 21.9 16.300 92.900 80.086 67.9 326.3 22.1 320 1334 C 9 H 1 A 0.625 76.625 20 227.8 14.4 5.467E-04 3322619571.98437 217.40 10.4 10.4 16.300 92.925 80.108 79.7 321.1 10.3 320 1334 C 9 H 1 A 0.650 76.650 20 212.7 17.3 4.449E-04 3322619576.92187 217.40 355.3 -4.7 16.300 92.950 80.129 85.3 148.8 4.7 320 1334 C 9 H 1 A 0.675 76.675 20 207.0 18.7 4.260E-04 3322619581.85937 217.40 349.6 -10.4 16.300 92.975 80.151 79.6 147.7 10.4 320 1334 C 9 H 1 A 0.700 76.700 20 201.6 18.5 4.736E-04 3322619586.78125 217.40 344.2 -15.8 16.300 93.000 80.172 74.3 144.7 15.7 320 1334 C 9 H 1 A 0.725 76.725 20 203.2 19.9 4.663E-04 3322619591.71875 217.40 345.8 -14.2 16.300 93.025 80.194 75.8 148.3 14.2 320 1334 C 9 H 1 A 0.750 76.750 20 206.8 18.4 4.643E-04 3322619596.65625 217.40 349.4 -10.6 16.300 93.050 80.216 79.4 146.7 10.6 320 1334 C 9 H 1 A 0.775 76.775 20 209.7 15.4 4.412E-04 3322619601.57812 217.40 352.3 -7.7 16.300 93.075 80.237 82.4 137.4 7.6 320 1334 C 9 H 1 A 0.800 76.800 20 213.6 13.0 4.072E-04 3322619606.51562 217.40 356.2 -3.8 16.300 93.100 80.259 86.0 117.7 4.0 320 1334 C 9 H 1 A 0.825 76.825 20 210.1 10.7 3.962E-04 3322619611.45312 217.40 352.7 -7.3 16.300 93.125 80.280 82.3 118.7 7.7 320 1334 C 9 H 1 A 0.850 76.850 20 206.9 10.4 3.552E-04 3322619616.37500 217.40 349.5 -10.5 16.300 93.150 80.302 79.2 123.9 10.8 320 1334 C 9 H 1 A 0.875 76.875 20 202.2 11.3 2.884E-04 3322619621.29687 217.40 344.8 -15.2 16.300 93.175 80.323 74.7 130.3 15.3 320 1334 C 9 H 1 A 0.900 76.900 20 202.3 13.0 2.228E-04 3322619626.23437 217.40 344.9 -15.1 16.300 93.200 80.345 75.0 133.6 15.0 320 1334 C 9 H 1 A 0.925 76.925 20 222.4 17.5 1.507E-04 3322619631.15625 217.40 5.0 5.0 16.300 93.225 80.366 85.0 306.7 5.0 320 1334 C 9 H 1 A 0.950 76.950 20 226.7 16.0 1.680E-04 3322619636.09375 217.40 9.3 9.3 16.300 93.250 80.388 80.8 316.4 9.2 320 1334 C 9 H 1 A 0.975 76.975 20 222.1 12.2 2.051E-04 3322619641.03125 217.40 4.7 4.7 16.300 93.275 80.409 85.0 339.2 5.0 320 1334 C 9 H 1 A 1.000 77.000 20 219.6 5.7 2.126E-04 3322619645.95312 217.40 2.2 2.2 16.300 93.300 80.431 84.4 24.9 5.6 320 1334 C 9 H 1 A 1.025 77.025 20 212.7 -2.2 2.221E-04 3322619650.89062 217.40 355.3 -4.7 16.300 93.325 80.453 79.8 75.5 10.2 320 1334 C 9 H 1 A 1.050 77.050 20 206.1 -8.2 2.171E-04 3322619655.81250 217.40 348.7 -11.3 16.300 93.350 80.474 73.5 91.3 16.6 320 1334 C 9 H 1 A 1.075 77.075 20 201.7 -8.7 2.202E-04 3322619660.75000 217.40 344.3 -15.7 16.300 93.375 80.496 70.0 100.3 20.0 320 1334 C 9 H 1 A 1.100 77.100 20 205.2 -6.1 2.454E-04 3322619665.67187 217.40 347.8 -12.2 16.300 93.400 80.517 73.6 96.2 16.4 320 1334 C 9 H 1 A 1.125 77.125 20 209.3 -1.7 3.400E-04 3322619670.60937 217.40 351.9 -8.1 16.300 93.425 80.539 78.0 90.8 12.0 320 1334 C 9 H 1 A 1.150 77.150 20 214.8 3.1 3.904E-04 3322619675.53125 217.40 357.4 -2.6 16.300 93.450 80.560 83.1 70.0 7.0 320 1334 C 9 H 1 A 1.175 77.175 20 211.7 6.3 4.297E-04 3322619680.46875 217.40 354.3 -5.7 16.300 93.475 80.582 82.5 97.9 7.5 320 1334 C 9 H 1 A 1.200 77.200 20 208.5 8.3 4.538E-04 3322619685.40625 217.40 351.1 -8.9 16.300 93.500 80.603 80.4 115.2 9.6 320 1334 C 9 H 1 A 1.225 77.225 20 206.0 9.7 4.301E-04 3322619690.32812 217.40 348.6 -11.4 16.300 93.525 80.625 78.3 123.3 11.8 320 1334 C 9 H 1 A 1.250 77.250 20 207.1 10.6 3.958E-04 3322619695.26562 217.40 349.7 -10.3 16.300 93.550 80.647 79.4 124.1 10.6 320 1334 C 9 H 1 A 1.275 77.275 20 205.6 11.2 3.972E-04 3322619700.18750 217.40 348.2 -11.8 16.300 93.575 80.668 78.1 127.5 12.0 320 1334 C 9 H 1 A 1.300 77.300 20 208.5 12.1 3.595E-04 3322619705.12500 217.40 351.1 -8.9 16.300 93.600 80.690 81.0 126.6 9.0 320 1334 C 9 H 1 A 1.325 77.325 20 205.4 11.6 3.863E-04 3322619710.04687 217.40 348.0 -12.0 16.300 93.625 80.711 77.9 128.6 12.1 320 1334 C 9 H 1 A 1.350 77.350 20 202.3 12.4 3.911E-04 3322619714.98437 217.40 344.9 -15.1 16.300 93.650 80.733 74.9 132.4 15.1 320 1334 C 9 H 1 A 1.375 77.375 20 199.7 13.5 3.545E-04 3322619719.90625 217.40 342.3 -17.7 16.300 93.675 80.754 72.4 135.4 17.6 320 1334 C 9 H 1 A 1.400 77.400 20 197.0 12.8 3.707E-04 3322619724.84375 217.40 339.6 -20.4 16.300 93.700 80.776 69.7 135.1 20.3 320 1334 C 9 H 1 A 1.425 77.425 20 196.9 12.4 3.697E-04 3322619729.78125 217.40 339.5 -20.5 16.300 93.725 80.797 69.6 134.5 20.4 320 1334 C 9 H 2 A 0.060 77.560 20 205.4 4.4 3.763E-04 3322620603.87500 217.40 348.0 -12.0 16.300 93.860 80.914 76.7 112.8 13.3 320 1334 C 9 H 2 A 0.070 77.570 20 205.3 6.0 3.416E-04 3322620608.45312 217.40 347.9 -12.1 16.300 93.870 80.922 77.0 116.2 13.0 320 1334 C 9 H 2 A 0.080 77.580 20 208.2 7.9 3.299E-04 3322620613.04687 217.40 350.8 -9.2 16.300 93.880 80.931 80.0 114.8 10.0 320 1334 C 9 H 2 A 0.090 77.590 20 219.3 11.5 2.795E-04 3322620617.64062 217.40 1.9 1.9 16.300 93.890 80.940 87.1 7.2 2.9 320 1334 C 9 H 2 A 0.100 77.600 20 231.4 13.9 2.718E-04 3322620622.23437 217.40 14.0 14.0 16.300 93.900 80.948 76.1 321.0 13.9 320 1334 C 9 H 2 A 0.110 77.610 20 242.9 15.1 2.627E-04 3322620626.82812 217.40 25.5 25.5 16.300 93.910 80.957 64.7 317.0 25.3 320 1334 C 9 H 2 A 0.120 77.620 20 250.4 13.9 2.458E-04 3322620631.42187 217.40 33.0 33.0 16.300 93.920 80.966 57.3 317.4 32.7 320 1334 C 9 H 2 A 0.130 77.630 20 258.7 10.3 2.324E-04 3322620636.01562 217.40 41.3 41.3 16.300 93.930 80.974 48.9 319.3 41.1 320 1334 C 9 H 2 A 0.140 77.640 20 259.4 6.5 2.116E-04 3322620640.60937 217.40 42.0 42.0 16.300 93.940 80.983 48.0 322.1 42.0 320 1334 C 9 H 2 A 0.150 77.650 20 264.2 2.1 2.016E-04 3322620645.18750 217.40 46.8 46.8 16.300 93.950 80.991 42.9 324.1 47.1 320 1334 C 9 H 2 A 0.160 77.660 20 256.7 -1.3 1.643E-04 3322620649.78125 217.40 39.3 39.3 16.300 93.960 81.000 49.9 328.7 40.1 320 1334 C 9 H 2 A 0.170 77.670 20 244.3 -4.8 1.148E-04 3322620654.37500 217.40 26.9 26.9 16.300 93.970 81.009 61.2 338.1 28.8 320 1334 C 9 H 2 A 0.180 77.680 20 228.9 -6.5 1.029E-04 3322620658.96875 217.40 11.5 11.5 16.300 93.980 81.017 73.9 2.1 16.1 320 1334 C 9 H 2 A 0.190 77.690 20 204.7 -5.2 1.334E-04 3322620663.54687 217.40 347.3 -12.7 16.300 93.990 81.026 73.5 98.6 16.5 320 1334 C 9 H 2 A 0.200 77.700 20 217.3 -9.7 9.634E-05 3322620668.14062 217.40 359.9 -0.1 16.300 94.000 81.034 77.1 48.5 12.9 320 1334 C 9 H 2 A 0.210 77.710 20 204.9 -7.3 1.206E-04 3322620672.73437 217.40 347.5 -12.5 16.300 94.010 81.043 72.9 95.4 17.1 320 1334 C 9 H 2 A 0.220 77.720 20 204.5 -5.9 1.033E-04 3322620677.31250 217.40 347.1 -12.9 16.300 94.020 81.052 73.1 98.1 16.9 320 1334 C 9 H 2 A 0.230 77.730 20 204.5 -2.4 1.052E-04 3322620681.89062 217.40 347.1 -12.9 16.300 94.030 81.060 74.2 103.0 15.8 320 1334 C 9 H 2 A 0.240 77.740 20 203.8 1.7 1.241E-04 3322620686.48437 217.40 346.4 -13.6 16.300 94.040 81.069 74.7 110.9 15.3 320 1334 C 9 H 2 A 0.250 77.750 20 207.6 5.2 1.301E-04 3322620691.07812 217.40 350.2 -9.8 16.300 94.050 81.078 78.9 109.6 11.2 320 1334 C 9 H 2 A 0.260 77.760 20 208.5 7.4 1.470E-04 3322620695.67187 217.40 351.1 -8.9 16.300 94.060 81.086 80.2 112.7 9.8 320 1334 C 9 H 2 A 0.270 77.770 20 210.6 8.9 1.683E-04 3322620700.26562 217.40 353.2 -6.8 16.300 94.070 81.095 82.4 110.9 7.6 320 1334 C 9 H 2 A 0.280 77.780 20 214.4 10.0 1.640E-04 3322620704.85937 217.40 357.0 -3.0 16.300 94.080 81.103 85.8 93.4 4.2 320 1334 C 9 H 2 A 0.290 77.790 20 213.5 10.3 1.720E-04 3322620709.43750 217.40 356.1 -3.9 16.300 94.090 81.112 85.2 102.3 4.8 320 1334 C 9 H 2 A 0.300 77.800 20 211.5 10.4 1.724E-04 3322620714.01562 217.40 354.1 -5.9 16.300 94.100 81.121 83.5 113.2 6.5 320 1334 C 9 H 2 A 0.310 77.810 20 206.4 10.0 1.750E-04 3322620718.60937 217.40 349.0 -11.0 16.300 94.110 81.129 78.7 123.5 11.3 320 1334 C 9 H 2 A 0.320 77.820 20 210.0 8.8 1.563E-04 3322620723.20312 217.40 352.6 -7.4 16.300 94.120 81.138 81.8 112.6 8.2 320 1334 C 9 H 2 A 0.330 77.830 20 207.7 6.1 1.718E-04 3322620727.79687 217.40 350.3 -9.7 16.300 94.130 81.147 79.2 111.5 10.8 320 1334 C 9 H 2 A 0.340 77.840 20 215.9 3.2 1.415E-04 3322620732.39062 217.40 358.5 -1.5 16.300 94.140 81.155 83.4 61.3 6.6 320 1334 C 9 H 2 A 0.350 77.850 20 216.1 0.9 1.675E-04 3322620736.98437 217.40 358.7 -1.3 16.300 94.150 81.164 82.3 57.8 7.7 320 1334 C 9 H 2 A 0.360 77.860 20 219.9 -1.4 1.626E-04 3322620741.56250 217.40 2.5 2.5 16.300 94.160 81.172 81.0 31.9 9.1 320 1334 C 9 H 2 A 0.370 77.870 20 222.6 -4.1 1.501E-04 3322620746.15625 217.40 5.2 5.2 16.300 94.170 81.181 78.7 20.5 11.3 320 1334 C 9 H 2 A 0.380 77.880 20 222.3 -4.4 1.720E-04 3322620750.73437 217.40 4.9 4.9 16.300 94.180 81.190 78.7 22.2 11.3 320 1334 C 9 H 2 A 0.390 77.890 20 202.6 -2.1 2.435E-04 3322620755.32812 217.40 345.2 -14.8 16.300 94.190 81.198 72.7 107.2 17.3 320 1334 C 9 H 2 A 0.400 77.900 20 205.3 -2.0 2.137E-04 3322620759.92187 217.40 347.9 -12.1 16.300 94.200 81.207 75.0 101.8 15.1 320 1334 C 9 H 2 A 0.410 77.910 20 202.5 -2.0 1.760E-04 3322620764.51562 217.40 345.1 -14.9 16.300 94.210 81.216 72.6 107.5 17.4 320 1334 C 9 H 2 A 0.420 77.920 20 194.5 -0.2 1.796E-04 3322620769.10937 217.40 337.1 -22.9 16.300 94.220 81.224 65.8 119.6 24.2 320 1334 C 9 H 2 A 0.430 77.930 20 192.5 1.7 1.544E-04 3322620773.68750 217.40 335.1 -24.9 16.300 94.230 81.233 64.2 123.2 25.8 320 1334 C 9 H 2 A 0.440 77.940 20 192.0 2.3 1.584E-04 3322620778.28125 217.40 334.6 -25.4 16.300 94.240 81.241 63.8 124.2 26.2 320 1334 C 9 H 2 A 0.450 77.950 20 193.3 2.7 1.635E-04 3322620782.87500 217.40 335.9 -24.1 16.300 94.250 81.250 65.1 123.8 24.9 320 1334 C 9 H 2 A 0.460 77.960 20 200.6 2.1 1.431E-04 3322620787.46875 217.40 343.2 -16.8 16.300 94.260 81.259 71.9 116.3 18.1 320 1334 C 9 H 2 A 0.470 77.970 20 203.3 1.6 1.485E-04 3322620792.04687 217.40 345.9 -14.1 16.300 94.270 81.267 74.2 111.6 15.8 320 1334 C 9 H 2 A 0.480 77.980 20 205.7 1.9 1.387E-04 3322620796.64062 217.40 348.3 -11.7 16.300 94.280 81.276 76.4 107.4 13.6 320 1334 C 9 H 2 A 0.490 77.990 20 209.8 1.8 1.131E-04 3322620801.23437 217.40 352.4 -7.6 16.300 94.290 81.284 79.6 95.3 10.4 320 1334 C 9 H 2 A 0.500 78.000 20 206.1 4.6 1.271E-04 3322620805.82812 217.40 348.7 -11.3 16.300 94.300 81.293 77.4 111.8 12.6 320 1334 C 9 H 2 A 0.510 78.010 20 211.2 8.8 9.288E-05 3322620810.42187 217.40 353.8 -6.2 16.300 94.310 81.302 82.9 108.3 7.1 320 1334 C 9 H 2 A 0.520 78.020 20 207.1 14.5 8.867E-05 3322620815.01562 217.40 349.7 -10.3 16.300 94.320 81.310 79.8 135.2 10.2 320 1334 C 9 H 2 A 0.530 78.030 20 211.5 18.6 8.764E-05 3322620819.60937 217.40 354.1 -5.9 16.300 94.330 81.319 84.0 153.4 6.0 320 1334 C 9 H 2 A 0.540 78.040 20 211.5 25.8 7.266E-05 3322620824.18750 217.40 354.1 -5.9 16.300 94.340 81.328 82.0 182.5 8.1 320 1334 C 9 H 2 A 0.550 78.050 20 210.9 25.8 7.969E-05 3322620828.78125 217.40 353.5 -6.5 16.300 94.350 81.336 81.5 179.8 8.5 320 1334 C 9 H 2 A 0.560 78.060 20 207.2 27.5 8.098E-05 3322620833.37500 217.40 349.8 -10.2 16.300 94.360 81.345 78.0 172.3 12.0 320 1334 C 9 H 2 A 0.570 78.070 20 204.8 30.9 7.255E-05 3322620837.96875 217.40 347.4 -12.6 16.300 94.370 81.353 75.0 174.4 15.0 320 1334 C 9 H 2 A 0.580 78.080 20 202.3 23.0 9.590E-05 3322620842.56250 217.40 344.9 -15.1 16.300 94.380 81.362 74.6 154.3 15.4 320 1334 C 9 H 2 A 0.590 78.090 20 204.7 23.9 8.466E-05 3322620847.14062 217.40 347.3 -12.7 16.300 94.390 81.371 76.7 158.9 13.3 320 1334 C 9 H 2 A 0.600 78.100 20 200.1 22.6 8.657E-05 3322620851.73437 217.40 342.7 -17.3 16.300 94.400 81.379 72.6 151.9 17.5 320 1334 C 9 H 2 A 0.610 78.110 20 204.8 24.9 8.014E-05 3322620856.32812 217.40 347.4 -12.6 16.300 94.410 81.388 76.6 161.3 13.4 320 1334 C 9 H 2 A 0.620 78.120 20 197.6 22.9 9.128E-05 3322620860.92187 217.40 340.2 -19.8 16.300 94.420 81.397 70.1 151.0 19.9 320 1334 C 9 H 2 A 0.630 78.130 20 201.9 29.0 7.340E-05 3322620865.51562 217.40 344.5 -15.5 16.300 94.430 81.405 73.1 165.7 16.9 320 1334 C 9 H 2 A 0.640 78.140 20 197.0 29.7 7.702E-05 3322620870.09375 217.40 339.6 -20.4 16.300 94.440 81.414 68.6 161.6 21.5 320 1334 C 9 H 2 A 0.650 78.150 20 190.2 31.2 7.869E-05 3322620874.68750 217.40 332.8 -27.2 16.300 94.450 81.422 62.0 159.1 28.0 320 1334 C 9 H 2 A 0.660 78.160 20 191.4 31.1 8.162E-05 3322620879.28125 217.40 334.0 -26.0 16.300 94.460 81.431 63.2 159.6 26.8 320 1334 C 9 H 2 A 0.670 78.170 20 201.1 32.4 7.545E-05 3322620883.85937 217.40 343.7 -16.3 16.300 94.470 81.440 71.5 170.8 18.6 320 1334 C 9 H 2 A 0.680 78.180 20 192.0 20.2 1.056E-04 3322620888.45312 217.40 334.6 -25.4 16.300 94.480 81.448 64.8 145.5 25.2 320 1334 C 9 H 2 A 0.690 78.190 20 196.2 13.9 1.252E-04 3322620893.04687 217.40 338.8 -21.2 16.300 94.490 81.457 69.0 136.9 21.0 320 1334 C 9 H 2 A 0.700 78.200 20 201.9 10.2 9.712E-05 3322620897.64062 217.40 344.5 -15.5 16.300 94.500 81.466 74.3 128.5 15.7 320 1334 C 9 H 2 A 0.710 78.210 20 200.0 2.8 8.577E-05 3322620902.23437 217.40 342.6 -17.4 16.300 94.510 81.474 71.5 118.1 18.6 320 1334 C 9 H 2 A 0.720 78.220 20 201.4 -3.2 7.833E-05 3322620906.82812 217.40 344.0 -16.0 16.300 94.520 81.483 71.4 107.7 18.6 320 1334 C 9 H 2 A 0.730 78.230 20 201.3 -9.0 6.942E-05 3322620911.42187 217.40 343.9 -16.1 16.300 94.530 81.491 69.6 100.6 20.4 320 1334 C 9 H 2 A 0.740 78.240 20 203.9 -9.7 7.013E-05 3322620916.01562 217.40 346.5 -13.5 16.300 94.540 81.500 71.4 94.7 18.6 320 1334 C 9 H 2 A 0.750 78.250 20 201.2 -9.6 6.320E-05 3322620920.60937 217.40 343.8 -16.2 16.300 94.550 81.509 69.4 100.1 20.6 320 1334 C 9 H 2 A 0.760 78.260 20 195.9 -6.8 6.414E-05 3322620925.20312 217.40 338.5 -21.5 16.300 94.560 81.517 65.7 110.8 24.3 320 1334 C 9 H 2 A 0.770 78.270 20 194.0 -1.5 6.919E-05 3322620929.78125 217.40 336.6 -23.4 16.300 94.570 81.526 65.1 118.5 24.9 320 1334 C 9 H 2 A 0.780 78.280 20 195.6 -0.7 4.130E-05 3322620934.37500 217.40 338.2 -21.8 16.300 94.580 81.534 66.7 118.0 23.3 320 1334 C 9 H 2 A 0.790 78.290 20 198.4 -0.2 4.090E-05 3322620938.96875 217.40 341.0 -19.0 16.300 94.590 81.543 69.4 115.8 20.6 320 1334 C 9 H 2 A 0.800 78.300 20 190.5 2.9 3.362E-05 3322620943.54687 217.40 333.1 -26.9 16.300 94.600 81.552 62.4 125.7 27.6 320 1334 C 9 H 2 A 0.810 78.310 20 223.5 58.0 2.384E-06 3322620948.14062 217.40 6.1 6.1 16.300 94.610 81.560 58.9 237.3 31.2 320 1334 C 9 H 2 A 0.820 78.320 20 192.7 7.5 2.259E-05 3322620952.73437 217.40 335.3 -24.7 16.300 94.620 81.569 65.1 129.7 24.9 320 1334 C 9 H 2 A 0.830 78.330 20 180.5 14.5 9.394E-06 3322620957.31250 217.40 323.1 -36.9 16.300 94.630 81.578 53.4 139.6 36.6 320 1334 C 9 H 2 A 0.840 78.340 20 144.0 10.8 1.461E-05 3322620961.89062 217.40 286.6 -73.4 16.300 94.640 81.586 17.2 141.3 72.9 320 1334 C 9 H 2 A 0.850 78.350 20 170.3 6.4 4.382E-05 3322620966.48437 217.40 312.9 -47.1 16.300 94.650 81.595 42.9 135.0 47.1 320 1334 C 9 H 2 A 0.860 78.360 20 173.2 4.7 6.767E-05 3322620971.07812 217.40 315.8 -44.2 16.300 94.660 81.603 45.7 133.2 44.4 320 1334 C 9 H 2 A 0.870 78.370 20 177.7 1.0 5.413E-05 3322620975.67187 217.40 320.3 -39.7 16.300 94.670 81.612 49.7 129.3 40.3 320 1334 C 9 H 2 A 0.880 78.380 20 192.9 -3.2 6.835E-05 3322620980.26562 217.40 335.5 -24.5 16.300 94.680 81.621 63.8 117.6 26.3 320 1334 C 9 H 2 A 0.890 78.390 20 202.2 -4.4 7.874E-05 3322620984.85937 217.40 344.8 -15.2 16.300 94.690 81.629 71.7 104.7 18.3 320 1334 C 9 H 2 A 0.900 78.400 20 213.3 -4.4 8.645E-05 3322620989.43750 217.40 355.9 -4.1 16.300 94.700 81.638 79.0 70.0 11.0 320 1334 C 9 H 2 A 0.910 78.410 20 216.3 -1.6 1.043E-04 3322620994.01562 217.40 358.9 -1.1 16.300 94.710 81.647 81.1 55.2 8.9 320 1334 C 9 H 2 A 0.920 78.420 20 225.8 1.2 1.124E-04 3322620998.60937 217.40 8.4 8.4 16.300 94.720 81.655 78.8 359.1 11.2 320 1334 C 9 H 2 A 0.930 78.430 20 231.8 2.9 1.096E-04 3322621003.20312 217.40 14.4 14.4 16.300 94.730 81.664 74.2 341.8 15.8 320 1334 C 9 H 2 A 0.940 78.440 20 222.2 4.9 1.056E-04 3322621007.79687 217.40 4.8 4.8 16.300 94.740 81.672 82.7 7.0 7.3 320 1334 C 9 H 2 A 0.950 78.450 20 226.1 7.2 7.552E-05 3322621012.39062 217.40 8.7 8.7 16.300 94.750 81.681 80.3 344.4 9.7 320 1334 C 9 H 2 A 0.960 78.460 20 294.7 17.4 2.378E-05 3322621016.98437 217.40 77.3 77.3 16.300 94.760 81.690 13.7 310.8 76.3 320 1334 C 9 H 2 A 0.970 78.470 20 50.6 8.7 3.184E-05 3322621021.56250 217.40 193.2 193.2 16.300 94.770 81.698 -71.9 180.8 161.9 320 1334 C 9 H 2 A 0.980 78.480 20 37.1 1.9 1.212E-04 3322621026.15625 217.40 179.7 179.7 16.300 94.780 81.707 -81.0 230.0 171.0 320 1334 C 9 H 2 A 0.990 78.490 20 45.6 2.5 1.779E-04 3322621030.73437 217.40 188.2 188.2 16.300 94.790 81.716 -77.7 186.2 167.7 320 1334 C 9 H 2 A 1.000 78.500 20 46.2 4.8 2.068E-04 3322621035.31250 217.40 188.8 188.8 16.300 94.800 81.724 -76.4 187.5 166.4 320 1334 C 9 H 2 A 1.010 78.510 20 41.0 6.4 2.373E-04 3322621039.90625 217.40 183.6 183.6 16.300 94.810 81.733 -78.2 210.1 168.2 320 1334 C 9 H 2 A 1.020 78.520 20 38.7 7.8 2.529E-04 3322621044.48437 217.40 181.3 181.3 16.300 94.820 81.741 -78.0 221.8 168.0 320 1334 C 9 H 2 A 1.030 78.530 20 37.4 9.2 2.323E-04 3322621049.07812 217.40 180.0 180.0 16.300 94.830 81.750 -77.4 228.0 167.4 320 1334 C 9 H 2 A 1.040 78.540 20 33.1 7.7 2.160E-04 3322621053.67187 217.40 175.7 175.7 16.300 94.840 81.759 -77.4 248.1 167.4 320 1334 C 9 H 2 A 1.050 78.550 20 30.1 4.9 1.760E-04 3322621058.26562 217.40 172.7 172.7 16.300 94.850 81.767 -77.3 263.2 167.3 320 1334 C 9 H 2 A 1.060 78.560 20 29.1 -0.1 1.403E-04 3322621062.84375 217.40 171.7 171.7 16.300 94.860 81.776 -78.5 274.6 168.5 320 1334 C 9 H 2 A 1.070 78.570 20 26.6 -9.1 1.268E-04 3322621067.43750 217.40 169.2 169.2 16.300 94.870 81.784 -78.7 301.0 168.7 320 1334 C 9 H 2 A 1.080 78.580 20 33.4 -19.8 1.106E-04 3322621072.03125 217.40 176.0 176.0 16.300 94.880 81.793 -85.5 347.5 175.5 320 1334 C 9 H 2 A 1.090 78.590 20 32.5 -23.7 1.346E-04 3322621076.62500 217.40 175.1 175.1 16.300 94.890 81.802 -83.5 0.7 173.5 320 1334 C 9 H 2 A 1.100 78.600 20 38.2 -29.9 1.334E-04 3322621081.20312 217.40 180.8 180.8 16.300 94.900 81.810 -81.9 53.5 171.9 320 1334 C 9 H 2 A 1.110 78.610 20 46.9 -32.8 1.403E-04 3322621085.79687 217.40 189.5 189.5 16.300 94.910 81.819 -76.5 90.3 166.5 320 1334 C 9 H 2 A 1.120 78.620 20 43.8 -30.1 1.680E-04 3322621090.39062 217.40 186.4 186.4 16.300 94.920 81.828 -79.7 84.9 169.7 320 1334 C 9 H 2 A 1.130 78.630 20 42.3 -27.9 1.899E-04 3322621094.98437 217.40 184.9 184.9 16.300 94.930 81.836 -81.7 82.7 171.7 320 1334 C 9 H 2 A 1.140 78.640 20 44.2 -25.4 2.014E-04 3322621099.57812 217.40 186.8 186.8 16.300 94.940 81.845 -81.4 98.7 171.4 320 1334 C 9 H 2 A 1.150 78.650 20 46.9 -20.7 2.170E-04 3322621104.17187 217.40 189.5 189.5 16.300 94.950 81.853 -80.3 121.2 170.3 320 1334 C 9 H 2 A 1.160 78.660 20 51.5 -16.3 2.143E-04 3322621108.76562 217.40 194.1 194.1 16.300 94.960 81.862 -76.0 135.7 166.0 320 1334 C 9 H 2 A 1.170 78.670 20 48.1 -9.7 2.323E-04 3322621113.35937 217.40 190.7 190.7 16.300 94.970 81.871 -78.9 153.7 168.9 320 1334 C 9 H 2 A 1.180 78.680 20 52.0 -5.0 2.060E-04 3322621117.93750 217.40 194.6 194.6 16.300 94.980 81.879 -74.5 158.0 164.5 320 1334 C 9 H 2 A 1.190 78.690 20 50.9 1.4 1.636E-04 3322621122.53125 217.40 193.5 193.5 16.300 94.990 81.888 -74.0 170.3 164.0 320 1334 C 9 H 2 A 1.200 78.700 20 39.2 6.0 1.449E-04 3322621127.12500 217.40 181.8 181.8 16.300 95.000 81.897 -78.9 218.7 168.9 320 1334 C 9 H 2 A 1.210 78.710 20 31.2 10.9 1.197E-04 3322621131.70312 217.40 173.8 173.8 16.300 95.010 81.905 -75.2 252.8 165.2 320 1334 C 9 H 2 A 1.220 78.720 20 12.1 10.8 1.189E-04 3322621136.29687 217.40 154.7 154.7 16.300 95.020 81.914 -61.4 290.8 151.4 320 1334 C 9 H 2 A 1.230 78.730 20 359.4 11.0 9.833E-05 3322621140.89062 217.40 142.0 142.0 16.300 95.030 81.922 -49.8 299.5 139.8 320 1334 C 9 H 2 A 1.240 78.740 20 344.8 11.6 7.134E-05 3322621145.48437 217.40 127.4 127.4 16.300 95.040 81.931 -35.7 304.8 125.7 320 1334 C 9 H 2 A 1.250 78.750 20 353.4 3.6 9.312E-05 3322621150.06250 217.40 136.0 136.0 16.300 95.050 81.940 -45.0 307.3 135.0 320 1334 C 9 H 2 A 1.260 78.760 20 4.5 0.4 1.036E-04 3322621154.65625 217.40 147.1 147.1 16.300 95.060 81.948 -56.2 305.5 146.2 320 1334 C 9 H 2 A 1.270 78.770 20 30.9 -0.1 1.081E-04 3322621159.25000 217.40 173.5 173.5 16.300 95.070 81.957 -79.7 267.5 169.7 320 1334 C 9 H 2 A 1.280 78.780 20 34.3 1.4 1.476E-04 3322621163.84375 217.40 176.9 176.9 16.300 95.080 81.966 -80.8 247.7 170.8 320 1334 C 9 H 2 A 1.290 78.790 20 47.1 2.9 1.597E-04 3322621168.42187 217.40 189.7 189.7 16.300 95.090 81.974 -76.5 182.0 166.5 320 1334 C 9 H 2 A 1.300 78.800 20 43.0 5.0 1.742E-04 3322621173.01562 217.40 185.6 185.6 16.300 95.100 81.983 -78.1 199.8 168.1 320 1334 C 9 H 2 A 1.310 78.810 20 39.1 7.2 1.921E-04 3322621177.60937 217.40 181.7 181.7 16.300 95.110 81.991 -78.3 219.7 168.3 320 1334 C 9 H 2 A 1.320 78.820 20 29.5 9.3 2.010E-04 3322621182.20312 217.40 172.1 172.1 16.300 95.120 82.000 -75.1 260.2 165.1 320 1334 C 9 H 2 A 1.330 78.830 20 26.1 11.0 1.793E-04 3322621186.76562 217.40 168.7 168.7 16.300 95.130 82.009 -72.4 268.1 162.4 320 1334 C 9 H 2 A 1.340 78.840 20 21.0 7.6 1.946E-04 3322621191.35937 217.40 163.6 163.6 16.300 95.140 82.017 -69.8 282.8 159.8 320 1334 C 9 H 2 A 1.350 78.850 20 12.7 2.3 1.844E-04 3322621195.95312 217.40 155.3 155.3 16.300 95.150 82.026 -63.7 298.7 153.7 320 1334 C 9 H 2 A 1.360 78.860 20 18.3 -7.1 1.312E-04 3322621200.54687 217.40 160.9 160.9 16.300 95.160 82.034 -70.5 306.0 160.5 320 1334 C 9 H 2 A 1.370 78.870 20 22.7 -17.6 1.431E-04 3322621205.14062 217.40 165.3 165.3 16.300 95.170 82.043 -75.4 323.1 165.4 320 1334 C 9 H 2 A 1.380 78.880 20 39.3 -23.5 1.715E-04 3322621209.73437 217.40 181.9 181.9 16.300 95.180 82.052 -85.3 71.5 175.3 320 1334 C 9 H 2 A 1.390 78.890 20 47.6 -23.1 2.296E-04 3322621214.31250 217.40 190.2 190.2 16.300 95.190 82.060 -79.2 115.3 169.2 320 1334 C 9 H 2 A 1.400 78.900 20 53.5 -23.1 2.693E-04 3322621218.89062 217.40 196.1 196.1 16.300 95.200 82.069 -73.6 122.4 163.6 320 1334 C 9 H 2 A 1.410 78.910 20 47.2 -20.2 3.367E-04 3322621223.48437 217.40 189.8 189.8 16.300 95.210 82.078 -80.0 123.2 170.0 320 1334 C 9 H 2 A 1.420 78.920 20 42.8 -18.2 4.108E-04 3322621228.07812 217.40 185.4 185.4 16.300 95.220 82.086 -84.5 123.6 174.5 320 1334 C 9 H 2 A 1.430 78.930 20 42.8 -17.4 4.437E-04 3322621232.65625 217.40 185.4 185.4 16.300 95.230 82.095 -84.6 128.0 174.6 320 1334 C 9 H 2 A 1.440 78.940 20 41.3 -15.1 5.287E-04 3322621237.25000 217.40 183.9 183.9 16.300 95.240 82.103 -86.1 142.4 176.1 320 1334 C 9 H 3 A 0.075 79.075 20 39.0 -10.2 4.983E-04 3322622314.75000 217.40 181.6 181.6 16.300 95.375 82.220 -86.7 198.9 176.7 320 1334 C 9 H 3 A 0.100 79.100 20 31.8 -5.9 4.659E-04 3322622319.67187 217.40 174.4 174.4 16.300 95.400 82.241 -82.5 276.2 172.5 320 1334 C 9 H 3 A 0.125 79.125 20 28.3 -5.2 5.646E-04 3322622324.60937 217.40 170.9 170.9 16.300 95.425 82.263 -79.5 287.7 169.5 320 1334 C 9 H 3 A 0.150 79.150 20 30.4 -7.0 6.992E-04 3322622329.53125 217.40 173.0 173.0 16.300 95.450 82.284 -81.7 285.6 171.7 320 1334 C 9 H 3 A 0.175 79.175 20 33.1 -7.5 7.689E-04 3322622334.46875 217.40 175.7 175.7 16.300 95.475 82.306 -84.0 273.6 174.0 320 1334 C 9 H 3 A 0.200 79.200 20 34.3 -6.7 7.616E-04 3322622339.40625 217.40 176.9 176.9 16.300 95.500 82.328 -84.4 261.8 174.4 320 1334 C 9 H 3 A 0.225 79.225 20 33.9 -6.7 6.673E-04 3322622344.32812 217.40 176.5 176.5 16.300 95.525 82.349 -84.2 265.1 174.2 320 1334 C 9 H 3 A 0.250 79.250 20 34.0 -6.6 5.571E-04 3322622349.26562 217.40 176.6 176.6 16.300 95.550 82.371 -84.2 264.0 174.2 320 1334 C 9 H 3 A 0.275 79.275 20 40.2 -5.6 4.574E-04 3322622354.18750 217.40 182.8 182.8 16.300 95.575 82.392 -84.1 199.7 174.1 320 1334 C 9 H 3 A 0.300 79.300 20 46.8 -2.7 3.977E-04 3322622359.12500 217.40 189.4 189.4 16.300 95.600 82.414 -78.5 172.9 168.5 320 1334 C 9 H 3 A 0.325 79.325 20 50.5 -1.8 3.577E-04 3322622364.04687 217.40 193.1 193.1 16.300 95.625 82.435 -75.1 165.9 165.1 320 1334 C 9 H 3 A 0.350 79.350 20 39.8 -7.0 3.718E-04 3322622368.98437 217.40 182.4 182.4 16.300 95.650 82.457 -84.9 199.9 174.9 320 1334 C 9 H 3 A 0.375 79.375 20 32.6 -13.1 4.152E-04 3322622373.92187 217.40 175.2 175.2 16.300 95.675 82.478 -85.1 302.4 175.1 320 1334 C 9 H 3 A 0.400 79.400 20 26.7 -16.1 5.158E-04 3322622378.85937 217.40 169.3 169.3 16.300 95.700 82.500 -79.4 319.9 169.4 320 1334 C 9 H 3 A 0.425 79.425 20 31.4 -17.3 5.086E-04 3322622383.78125 217.40 174.0 174.0 16.300 95.725 82.522 -84.0 326.6 174.0 320 1334 C 9 H 3 A 0.450 79.450 20 33.1 -17.4 4.803E-04 3322622388.71875 217.40 175.7 175.7 16.300 95.750 82.543 -85.7 330.4 175.7 320 1334 C 9 H 3 A 0.475 79.475 20 34.2 -19.6 4.195E-04 3322622393.65625 217.40 176.8 176.8 16.300 95.775 82.565 -86.2 351.8 176.2 320 1334 C 9 H 3 A 0.500 79.500 20 36.7 -28.4 3.125E-04 3322622398.57812 217.40 179.3 179.3 16.300 95.800 82.586 -82.8 42.6 172.8 320 1334 C 9 H 3 A 0.525 79.525 20 46.6 -49.5 2.063E-04 3322622403.51562 217.40 189.2 189.2 16.300 95.825 82.608 -66.1 67.9 156.1 320 1334 C 9 H 3 A 0.550 79.550 20 21.4 -83.4 1.483E-04 3322622408.43750 217.40 164.0 164.0 16.300 95.850 82.629 -20.5 44.2 110.5 320 1334 C 9 H 3 A 0.575 79.575 20 209.5 -56.1 1.488E-04 3322622413.37500 217.40 352.1 -7.9 16.300 95.875 82.651 44.7 57.0 45.3 320 1334 C 9 H 3 A 0.600 79.600 20 209.7 -48.7 1.404E-04 3322622418.31250 217.40 352.3 -7.7 16.300 95.900 82.672 51.6 58.8 38.4 320 1334 C 9 H 3 A 0.625 79.625 20 114.7 -60.1 1.088E-04 3322622423.23437 217.40 257.3 257.3 16.300 95.925 82.694 -14.8 97.6 104.8 320 1334 C 9 H 3 A 0.650 79.650 20 55.4 -25.5 2.433E-04 3322622428.17187 217.40 198.0 198.0 16.300 95.950 82.716 -71.5 119.5 161.5 320 1334 C 9 H 3 A 0.675 79.675 20 43.6 -15.5 5.243E-04 3322622433.10937 217.40 186.2 186.2 16.300 95.975 82.737 -83.9 138.6 173.9 320 1334 C 9 H 3 A 0.700 79.700 20 38.7 -13.7 7.593E-04 3322622438.03125 217.40 181.3 181.3 16.300 96.000 82.759 -88.3 177.1 178.3 320 1334 C 9 H 3 A 0.725 79.725 20 24.9 -9.4 1.413E-03 3322622442.96875 217.40 167.5 167.5 16.300 96.025 82.780 -77.2 304.0 167.2 320 1334 C 9 H 3 A 0.750 79.750 20 34.7 -11.5 1.333E-03 3322622447.90625 217.40 177.3 177.3 16.300 96.050 82.802 -86.5 278.9 176.5 320 1334 C 9 H 3 A 0.775 79.775 20 41.6 -8.8 1.783E-03 3322622452.84375 217.40 184.2 184.2 16.300 96.075 82.823 -84.5 178.3 174.5 320 1334 C 9 H 3 A 0.800 79.800 20 35.5 -7.7 1.808E-03 3322622457.76562 217.40 178.1 178.1 16.300 96.100 82.845 -85.5 252.7 175.5 320 1334 C 9 H 3 A 0.825 79.825 20 35.2 -6.1 1.780E-03 3322622462.70312 217.40 177.8 177.8 16.300 96.125 82.866 -84.6 252.0 174.6 320 1334 C 9 H 3 A 0.850 79.850 20 34.9 -5.7 1.505E-03 3322622467.64062 217.40 177.5 177.5 16.300 96.150 82.888 -84.3 254.0 174.3 320 1334 C 9 H 3 A 0.875 79.875 20 33.0 -6.6 1.219E-03 3322622472.56250 217.40 175.6 175.6 16.300 96.175 82.909 -83.6 271.3 173.6 320 1334 C 9 H 3 A 0.900 79.900 20 29.6 -8.9 9.378E-04 3322622477.50000 217.40 172.2 172.2 16.300 96.200 82.931 -81.5 294.1 171.5 320 1334 C 9 H 3 A 0.925 79.925 20 27.8 -10.3 8.153E-04 3322622482.42187 217.40 170.4 170.4 16.300 96.225 82.953 -80.1 302.2 170.1 320 1334 C 9 H 3 A 0.950 79.950 20 29.9 -11.2 7.031E-04 3322622487.35937 217.40 172.5 172.5 16.300 96.250 82.974 -82.2 301.0 172.2 320 1334 C 9 H 3 A 0.975 79.975 20 32.7 -11.2 6.305E-04 3322622492.28125 217.40 175.3 175.3 16.300 96.275 82.996 -84.8 291.6 174.8 320 1334 C 9 H 3 A 1.000 80.000 20 34.7 -10.6 6.081E-04 3322622497.21875 217.40 177.3 177.3 16.300 96.300 83.017 -86.2 273.5 176.2 320 1334 C 9 H 3 A 1.025 80.025 20 34.6 -10.6 6.070E-04 3322622502.15625 217.40 177.2 177.2 16.300 96.325 83.039 -86.2 274.5 176.2 320 1334 C 9 H 3 A 1.050 80.050 20 30.0 -10.5 6.091E-04 3322622507.07812 217.40 172.6 172.6 16.300 96.350 83.060 -82.2 298.3 172.2 320 1334 C 9 H 3 A 1.075 80.075 20 26.3 -10.7 5.822E-04 3322622512.01562 217.40 168.9 168.9 16.300 96.375 83.082 -78.7 305.4 168.7 320 1334 C 9 H 3 A 1.100 80.100 20 24.1 -11.6 6.029E-04 3322622516.93750 217.40 166.7 166.7 16.300 96.400 83.103 -76.6 309.7 166.6 320 1334 C 9 H 3 A 1.125 80.125 20 24.6 -13.4 6.673E-04 3322622521.87500 217.40 167.2 167.2 16.300 96.425 83.125 -77.3 313.4 167.3 320 1334 C 9 H 3 A 1.150 80.150 20 25.6 -14.4 8.578E-04 3322622526.81250 217.40 168.2 168.2 16.300 96.450 83.147 -78.3 315.5 168.3 320 1334 C 9 H 3 A 1.175 80.175 20 26.8 -14.0 1.043E-03 3322622531.73437 217.40 169.4 169.4 16.300 96.475 83.168 -79.5 313.9 169.5 320 1334 C 9 H 3 A 1.200 80.200 20 28.2 -13.2 1.158E-03 3322622536.67187 217.40 170.8 170.8 16.300 96.500 83.190 -80.8 310.5 170.8 320 1334 C 9 H 3 A 1.225 80.225 20 31.4 -12.6 1.135E-03 3322622541.60937 217.40 174.0 174.0 16.300 96.525 83.211 -83.8 303.2 173.8 320 1334 C 9 H 3 A 1.250 80.250 20 33.9 -11.4 1.064E-03 3322622546.53125 217.40 176.5 176.5 16.300 96.550 83.233 -85.9 285.4 175.9 320 1334 C 9 H 3 A 1.275 80.275 20 35.6 -9.7 9.730E-04 3322622551.46875 217.40 178.2 178.2 16.300 96.575 83.254 -86.4 258.0 176.4 320 1334 C 9 H 3 A 1.300 80.300 20 35.2 -6.5 9.019E-04 3322622556.40625 217.40 177.8 177.8 16.300 96.600 83.276 -84.8 252.9 174.8 320 1334 C 9 H 3 A 1.325 80.325 20 36.2 -4.0 8.044E-04 3322622561.32812 217.40 178.8 178.8 16.300 96.625 83.297 -83.9 239.4 173.9 320 1334 C 9 H 3 A 1.350 80.350 20 35.1 -2.3 7.556E-04 3322622566.26562 217.40 177.7 177.7 16.300 96.650 83.319 -82.8 246.6 172.8 320 1334 C 9 H 3 A 1.375 80.375 20 33.5 -2.2 7.203E-04 3322622571.20312 217.40 176.1 176.1 16.300 96.675 83.341 -82.1 257.6 172.1 320 1334 C 9 H 3 A 1.400 80.400 20 34.1 -3.3 6.472E-04 3322622576.12500 217.40 176.7 176.7 16.300 96.700 83.362 -82.9 255.6 172.9 320 1334 C 9 H 3 A 1.425 80.425 20 33.4 -5.1 6.029E-04 3322622581.06250 217.40 176.0 176.0 16.300 96.725 83.384 -83.3 264.4 173.3 320 1334 C 9 H 4 A 0.075 80.575 20 35.3 -12.5 4.232E-04 3322623320.78125 217.40 177.9 177.9 16.300 96.875 83.513 -87.3 279.4 177.3 320 1334 C 9 H 4 A 0.100 80.600 20 39.3 -15.1 3.581E-04 3322623325.70312 217.40 181.9 181.9 16.300 96.900 83.534 -88.1 147.4 178.1 320 1334 C 9 H 4 A 0.125 80.625 20 43.8 -17.1 3.036E-04 3322623330.64062 217.40 186.4 186.4 16.300 96.925 83.556 -83.6 130.9 173.6 320 1334 C 9 H 4 A 0.150 80.650 20 44.1 -17.4 2.842E-04 3322623335.56250 217.40 186.7 186.7 16.300 96.950 83.578 -83.3 129.8 173.3 320 1334 C 9 H 4 A 0.175 80.675 20 39.3 -15.1 3.237E-04 3322623340.50000 217.40 181.9 181.9 16.300 96.975 83.599 -88.1 147.4 178.1 320 1334 C 9 H 4 A 0.200 80.700 20 39.9 -12.6 3.811E-04 3322623345.42187 217.40 182.5 182.5 16.300 97.000 83.621 -87.0 171.1 177.0 320 1334 C 9 H 4 A 0.225 80.725 20 42.7 -13.2 3.981E-04 3322623350.35937 217.40 185.3 185.3 16.300 97.025 83.642 -84.6 151.7 174.6 320 1334 C 9 H 4 A 0.250 80.750 20 40.1 -14.0 4.052E-04 3322623355.28125 217.40 182.7 182.7 16.300 97.050 83.664 -87.2 156.3 177.2 320 1334 C 9 H 4 A 0.275 80.775 20 41.0 -16.8 3.398E-04 3322623360.21875 217.40 183.6 183.6 16.300 97.075 83.685 -86.4 128.5 176.4 320 1334 C 9 H 4 A 0.300 80.800 20 39.1 -18.6 2.926E-04 3322623365.15625 217.40 181.7 181.7 16.300 97.100 83.707 -87.7 95.2 177.7 320 1334 C 9 H 4 A 0.325 80.825 20 45.3 -18.1 2.477E-04 3322623370.07812 217.40 187.9 187.9 16.300 97.125 83.728 -82.1 128.1 172.1 320 1334 C 9 H 4 A 0.350 80.850 20 43.9 -13.5 2.754E-04 3322623375.01562 217.40 186.5 186.5 16.300 97.150 83.750 -83.5 147.8 173.5 320 1334 C 9 H 4 A 0.375 80.875 20 46.2 -12.2 3.120E-04 3322623379.93750 217.40 188.8 188.8 16.300 97.175 83.772 -81.1 149.3 171.1 320 1334 C 9 H 4 A 0.400 80.900 20 48.3 -13.4 3.506E-04 3322623384.87500 217.40 190.9 190.9 16.300 97.200 83.793 -79.1 143.7 169.1 320 1334 C 9 H 4 A 0.425 80.925 20 57.1 -18.5 3.418E-04 3322623389.79687 217.40 199.7 199.7 16.300 97.225 83.815 -70.5 132.2 160.5 320 1334 C 9 H 4 A 0.450 80.950 20 49.9 -20.7 3.921E-04 3322623394.73437 217.40 192.5 192.5 16.300 97.250 83.836 -77.4 124.7 167.4 320 1334 C 9 H 4 A 0.475 80.975 20 43.5 -21.1 4.649E-04 3322623399.65625 217.40 186.1 186.1 16.300 97.275 83.858 -83.3 111.7 173.3 320 1334 C 9 H 4 A 0.500 81.000 20 40.4 -20.0 5.527E-04 3322623404.59375 217.40 183.0 183.0 16.300 97.300 83.879 -86.2 99.8 176.2 320 1334 C 9 H 4 A 0.525 81.025 20 39.3 -17.9 6.184E-04 3322623409.53125 217.40 181.9 181.9 16.300 97.325 83.901 -87.8 105.9 177.8 320 1334 C 9 H 4 A 0.550 81.050 20 39.0 -17.9 5.888E-04 3322623414.46875 217.40 181.6 181.6 16.300 97.350 83.922 -88.0 101.3 178.0 320 1334 C 9 H 4 A 0.575 81.075 20 39.4 -18.6 5.603E-04 3322623419.39062 217.40 182.0 182.0 16.300 97.375 83.944 -87.5 99.8 177.5 320 1334 C 9 H 4 A 0.600 81.100 20 42.4 -22.5 4.754E-04 3322623424.32812 217.40 185.0 185.0 16.300 97.400 83.966 -83.8 100.7 173.8 320 1334 C 9 H 4 A 0.625 81.125 20 48.6 -25.1 4.602E-04 3322623429.26562 217.40 191.2 191.2 16.300 97.425 83.987 -77.8 111.9 167.8 320 1334 C 9 H 4 A 0.650 81.150 20 44.9 -22.7 5.756E-04 3322623434.20312 217.40 187.5 187.5 16.300 97.450 84.009 -81.7 110.1 171.7 320 1334 C 9 H 4 A 0.675 81.175 20 41.0 -18.8 7.893E-04 3322623439.12500 217.40 183.6 183.6 16.300 97.475 84.030 -86.1 112.7 176.1 320 1334 C 9 H 4 A 0.700 81.200 20 41.5 -20.5 1.046E-03 3322623444.06250 217.40 184.1 184.1 16.300 97.500 84.052 -85.2 105.1 175.2 320 1334 C 9 H 4 A 0.725 81.225 20 29.1 -11.3 1.604E-03 3322623449.00000 217.40 171.7 171.7 16.300 97.525 84.073 -81.5 303.0 171.5 320 1334 C 9 H 4 A 0.750 81.250 20 41.6 -14.5 1.229E-03 3322623453.93750 217.40 184.2 184.2 16.300 97.550 84.095 -85.8 146.4 175.8 320 1334 C 9 H 4 A 0.775 81.275 20 41.6 -13.7 1.111E-03 3322623458.85937 217.40 184.2 184.2 16.300 97.575 84.116 -85.7 151.9 175.7 320 1334 C 9 H 4 A 0.800 81.300 20 42.9 -12.0 8.756E-04 3322623463.79687 217.40 185.5 185.5 16.300 97.600 84.138 -84.2 157.2 174.2 320 1334 C 9 H 4 A 0.825 81.325 20 40.4 -7.1 5.995E-04 3322623468.73437 217.40 183.0 183.0 16.300 97.625 84.159 -84.7 193.9 174.7 320 1334 C 9 H 4 A 0.850 81.350 20 41.8 14.0 4.523E-04 3322623473.65625 217.40 184.4 184.4 16.300 97.650 84.181 -74.3 211.7 164.3 320 1334 C 9 H 4 A 0.875 81.375 20 50.4 7.0 4.549E-04 3322623478.59375 217.40 193.0 193.0 16.300 97.675 84.203 -72.7 179.2 162.7 320 1334 C 9 H 4 A 0.900 81.400 20 50.6 5.4 5.338E-04 3322623483.53125 217.40 193.2 193.2 16.300 97.700 84.224 -73.0 176.6 163.0 320 1334 C 9 H 4 A 0.925 81.425 20 44.9 -0.4 6.155E-04 3322623488.45312 217.40 187.5 187.5 16.300 97.725 84.246 -79.2 183.9 169.2 320 1334 C 9 H 4 A 0.950 81.450 20 43.6 -5.0 5.872E-04 3322623493.39062 217.40 186.2 186.2 16.300 97.750 84.267 -81.7 179.4 171.7 320 1334 C 9 H 4 A 0.975 81.475 20 43.4 -9.9 5.062E-04 3322623498.32812 217.40 186.0 186.0 16.300 97.775 84.289 -83.3 164.5 173.3 320 1334 C 9 H 4 A 1.000 81.500 20 45.5 -14.7 4.235E-04 3322623503.25000 217.40 188.1 188.1 16.300 97.800 84.310 -82.0 141.2 172.0 320 1334 C 9 H 4 A 1.025 81.525 20 42.7 -20.3 3.746E-04 3322623508.18750 217.40 185.3 185.3 16.300 97.825 84.332 -84.2 112.3 174.2 320 1334 C 9 H 4 A 1.050 81.550 20 36.9 -21.2 3.974E-04 3322623513.12500 217.40 179.5 179.5 16.300 97.850 84.353 -87.0 38.7 177.0 320 1334 C 9 H 4 A 1.075 81.575 20 35.9 -17.7 4.376E-04 3322623518.04687 217.40 178.5 178.5 16.300 97.875 84.375 -88.2 353.8 178.2 320 1334 C 9 H 4 A 1.100 81.600 20 36.6 -12.2 4.803E-04 3322623522.98437 217.40 179.2 179.2 16.300 97.900 84.397 -88.0 251.5 178.0 320 1334 C 9 H 4 A 1.125 81.625 20 37.4 -10.6 4.664E-04 3322623527.90625 217.40 180.0 180.0 16.300 97.925 84.418 -87.4 228.0 177.4 320 1334 C 9 H 4 A 1.150 81.650 20 38.2 -12.0 4.489E-04 3322623532.84375 217.40 180.8 180.8 16.300 97.950 84.440 -87.9 205.7 177.9 320 1334 C 9 H 4 A 1.175 81.675 20 37.0 -12.2 4.551E-04 3322623537.78125 217.40 179.6 179.6 16.300 97.975 84.461 -88.1 240.3 178.1 320 1334 C 9 H 4 A 1.200 81.700 20 36.6 -10.6 4.657E-04 3322623542.70312 217.40 179.2 179.2 16.300 98.000 84.483 -87.2 244.7 177.2 320 1334 C 9 H 4 A 1.225 81.725 20 38.5 -10.5 5.099E-04 3322623547.64062 217.40 181.1 181.1 16.300 98.025 84.504 -87.1 206.0 177.1 320 1334 C 9 H 4 A 1.250 81.750 20 41.5 -12.1 5.842E-04 3322623552.56250 217.40 184.1 184.1 16.300 98.050 84.526 -85.5 162.6 175.5 320 1334 C 9 H 4 A 1.275 81.775 20 43.4 -13.7 6.626E-04 3322623557.50000 217.40 186.0 186.0 16.300 98.075 84.547 -84.0 147.6 174.0 320 1334 C 9 H 4 A 1.300 81.800 20 44.5 -14.7 7.847E-04 3322623562.43750 217.40 187.1 187.1 16.300 98.100 84.569 -83.0 141.8 173.0 320 1334 C 9 H 4 A 1.325 81.825 20 46.7 -15.4 8.480E-04 3322623567.35937 217.40 189.3 189.3 16.300 98.125 84.591 -80.8 138.4 170.8 320 1334 C 9 H 4 A 1.350 81.850 20 47.6 -14.7 8.643E-04 3322623572.29687 217.40 190.2 190.2 16.300 98.150 84.612 -79.9 140.3 169.9 320 1334 C 9 H 4 A 1.375 81.875 20 47.3 -14.4 8.077E-04 3322623577.23437 217.40 189.9 189.9 16.300 98.175 84.634 -80.2 141.4 170.2 320 1334 C 9 H 4 A 1.400 81.900 20 51.1 -15.5 6.106E-04 3322623582.15625 217.40 193.7 193.7 16.300 98.200 84.655 -76.4 137.5 166.4 320 1334 C 9 H 4 A 1.425 81.925 20 50.8 -17.9 4.400E-04 3322623587.09375 217.40 193.4 193.4 16.300 98.225 84.677 -76.7 132.0 166.7 320 1334 C 9 H 5 A 0.075 82.075 20 45.1 -12.2 1.915E-04 3322624283.78125 217.40 187.7 187.7 16.300 98.375 84.806 -82.1 151.0 172.1 320 1334 C 9 H 5 A 0.100 82.100 20 40.1 -18.5 2.014E-04 3322624288.70312 217.40 182.7 182.7 16.300 98.400 84.828 -86.9 108.5 176.9 320 1334 C 9 H 5 A 0.125 82.125 20 33.6 -20.0 2.687E-04 3322624293.64062 217.40 176.2 176.2 16.300 98.425 84.849 -85.6 350.0 175.6 320 1334 C 9 H 5 A 0.150 82.150 20 36.2 -20.3 3.447E-04 3322624298.57812 217.40 178.8 178.8 16.300 98.450 84.871 -87.3 22.6 177.3 320 1334 C 9 H 5 A 0.175 82.175 20 43.1 -19.8 3.935E-04 3322624303.50000 217.40 185.7 185.7 16.300 98.475 84.892 -84.0 116.2 174.0 320 1334 C 9 H 5 A 0.200 82.200 20 42.2 -18.1 4.602E-04 3322624308.43750 217.40 184.8 184.8 16.300 98.500 84.914 -85.1 122.6 175.1 320 1334 C 9 H 5 A 0.225 82.225 20 44.7 -19.9 4.333E-04 3322624313.37500 217.40 187.3 187.3 16.300 98.525 84.935 -82.5 120.1 172.5 320 1334 C 9 H 5 A 0.250 82.250 20 42.0 -22.1 4.014E-04 3322624318.29687 217.40 184.6 184.6 16.300 98.550 84.957 -84.3 100.2 174.3 320 1334 C 9 H 5 A 0.275 82.275 20 40.8 -26.2 3.567E-04 3322624323.23437 217.40 183.4 183.4 16.300 98.575 84.978 -83.3 77.6 173.3 320 1334 C 9 H 5 A 0.300 82.300 20 35.9 -29.8 3.552E-04 3322624328.15625 217.40 178.5 178.5 16.300 98.600 85.000 -81.9 37.8 171.9 320 1334 C 9 H 5 A 0.325 82.325 20 36.8 -33.1 3.694E-04 3322624333.09375 217.40 179.4 179.4 16.300 98.625 85.022 -79.9 44.8 169.9 320 1334 C 9 H 5 A 0.350 82.350 20 36.1 -30.1 4.241E-04 3322624338.03125 217.40 178.7 178.7 16.300 98.650 85.043 -81.7 39.3 171.7 320 1334 C 9 H 5 A 0.375 82.375 20 39.0 -25.3 4.670E-04 3322624342.95312 217.40 181.6 181.6 16.300 98.675 85.065 -84.5 64.4 174.5 320 1334 C 9 H 5 A 0.400 82.400 20 43.5 -23.5 4.505E-04 3322624347.89062 217.40 186.1 186.1 16.300 98.700 85.086 -82.6 102.1 172.6 320 1334 C 9 H 5 A 0.425 82.425 20 48.9 -27.0 3.753E-04 3322624352.81250 217.40 191.5 191.5 16.300 98.725 85.108 -77.1 107.9 167.1 320 1334 C 9 H 5 A 0.450 82.450 20 46.2 -41.6 2.764E-04 3322624357.75000 217.40 188.8 188.8 16.300 98.750 85.129 -72.0 74.9 162.0 320 1334 C 9 H 5 A 0.475 82.475 20 223.1 -78.7 2.341E-04 3322624362.67187 217.40 5.7 5.7 16.300 98.775 85.151 13.7 45.9 76.3 320 1334 C 9 H 5 A 0.500 82.500 20 226.7 -52.3 5.028E-04 3322624367.60937 217.40 9.3 9.3 16.300 98.800 85.172 48.2 36.3 41.9 320 1334 C 9 H 5 A 0.525 82.525 20 224.3 -33.9 6.742E-04 3322624372.53125 217.40 6.9 6.9 16.300 98.825 85.194 62.6 33.7 27.4 320 1334 C 9 H 5 A 0.550 82.550 20 222.5 -29.9 8.064E-04 3322624377.46875 217.40 5.1 5.1 16.300 98.850 85.216 65.4 36.2 24.6 320 1334 C 9 H 5 A 0.575 82.575 20 221.2 -27.9 8.050E-04 3322624382.40625 217.40 3.8 3.8 16.300 98.875 85.237 66.9 38.6 23.1 320 1334 C 9 H 5 A 0.600 82.600 20 221.2 -23.4 7.808E-04 3322624387.32812 217.40 3.8 3.8 16.300 98.900 85.259 69.4 37.4 20.6 320 1334 C 9 H 5 A 0.625 82.625 20 222.0 -16.8 7.313E-04 3322624392.26562 217.40 4.6 4.6 16.300 98.925 85.280 72.8 32.5 17.2 320 1334 C 9 H 5 A 0.650 82.650 20 221.9 -10.4 7.747E-04 3322624397.18750 217.40 4.5 4.5 16.300 98.950 85.302 76.0 29.2 14.0 320 1334 C 9 H 5 A 0.675 82.675 20 223.8 -7.1 8.745E-04 3322624402.12500 217.40 6.4 6.4 16.300 98.975 85.323 76.8 18.9 13.2 320 1334 C 9 H 5 A 0.700 82.700 20 221.9 -5.8 1.024E-03 3322624407.06250 217.40 4.5 4.5 16.300 99.000 85.345 78.2 25.5 11.8 320 1334 C 9 H 5 A 0.725 82.725 20 221.6 -6.1 1.040E-03 3322624411.98437 217.40 4.2 4.2 16.300 99.025 85.366 78.2 27.1 11.8 320 1334 C 9 H 5 A 0.750 82.750 20 218.7 -6.2 9.397E-04 3322624416.92187 217.40 1.3 1.3 16.300 99.050 85.388 78.8 41.3 11.2 320 1334 C 9 H 5 A 0.775 82.775 20 216.6 -6.2 8.171E-04 3322624421.85937 217.40 359.2 -0.8 16.300 99.075 85.409 78.9 52.2 11.1 320 1334 C 9 H 5 A 0.800 82.800 20 215.3 -5.3 7.849E-04 3322624426.78125 217.40 357.9 -2.1 16.300 99.100 85.431 79.1 59.2 10.9 320 1334 C 9 H 5 A 0.825 82.825 20 199.2 -1.7 1.724E-03 3322624431.71875 217.40 341.8 -18.2 16.300 99.125 85.453 69.8 112.8 20.2 320 1334 C 9 H 5 A 0.850 82.850 20 230.9 7.1 1.648E-03 3322624436.65625 217.40 13.5 13.5 16.300 99.150 85.474 75.9 335.5 14.1 320 1334 C 9 H 5 A 0.875 82.875 20 220.1 -0.3 1.615E-03 3322624441.57812 217.40 2.7 2.7 16.300 99.175 85.496 81.4 29.6 8.6 320 1334 C 9 H 5 A 0.900 82.900 20 221.6 -0.3 1.878E-03 3322624446.51562 217.40 4.2 4.2 16.300 99.200 85.517 80.8 20.6 9.2 320 1334 C 9 H 5 A 0.925 82.925 20 222.2 -1.1 1.985E-03 3322624451.43750 217.40 4.8 4.8 16.300 99.225 85.539 80.2 18.6 9.8 320 1334 C 9 H 5 A 0.950 82.950 20 224.5 -2.4 1.959E-03 3322624456.37500 217.40 7.1 7.1 16.300 99.250 85.560 78.4 10.1 11.6 320 1334 C 9 H 5 A 0.975 82.975 20 225.3 -3.5 1.819E-03 3322624461.29687 217.40 7.9 7.9 16.300 99.275 85.582 77.5 8.8 12.5 320 1334 C 9 H 5 A 1.000 83.000 20 226.2 -5.1 1.442E-03 3322624466.23437 217.40 8.8 8.8 16.300 99.300 85.603 76.3 7.9 13.7 320 1334 C 9 H 5 A 1.025 83.025 20 223.4 -6.9 1.091E-03 3322624471.15625 217.40 6.0 6.0 16.300 99.325 85.625 77.1 20.2 12.9 320 1334 C 9 H 5 A 1.050 83.050 20 220.0 -8.4 7.469E-04 3322624476.09375 217.40 2.6 2.6 16.300 99.350 85.647 77.5 36.0 12.5 320 1334 C 9 H 5 A 1.075 83.075 20 217.6 -9.8 5.602E-04 3322624481.03125 217.40 0.2 0.2 16.300 99.375 85.668 77.1 47.1 12.9 320 1334 C 9 H 5 A 1.100 83.100 20 213.2 -14.8 4.064E-04 3322624485.95312 217.40 355.8 -4.2 16.300 99.400 85.690 73.9 63.2 16.1 320 1334 C 9 H 5 A 1.125 83.125 20 211.4 -21.7 3.337E-04 3322624490.89062 217.40 354.0 -6.0 16.300 99.425 85.711 69.8 65.3 20.2 320 1334 C 9 H 5 A 1.150 83.150 20 213.0 -25.3 3.289E-04 3322624495.81250 217.40 355.6 -4.4 16.300 99.450 85.733 68.3 59.7 21.7 320 1334 C 9 H 5 A 1.175 83.175 20 213.8 -17.8 4.393E-04 3322624500.75000 217.40 356.4 -3.6 16.300 99.475 85.754 72.5 59.9 17.5 320 1334 C 9 H 5 A 1.200 83.200 20 222.1 -7.8 7.225E-04 3322624505.67187 217.40 4.7 4.7 16.300 99.500 85.776 77.2 26.4 12.8 320 1334 C 9 H 5 A 1.225 83.225 20 224.0 -1.5 1.105E-03 3322624510.60937 217.40 6.6 6.6 16.300 99.525 85.797 79.1 10.8 11.0 320 1334 C 9 H 5 A 1.250 83.250 20 227.4 1.1 1.502E-03 3322624515.53125 217.40 10.0 10.0 16.300 99.550 85.819 77.6 354.3 12.4 320 1334 C 9 H 5 A 1.275 83.275 20 227.0 2.5 1.726E-03 3322624520.46875 217.40 9.6 9.6 16.300 99.575 85.841 78.3 352.8 11.7 320 1334 C 9 H 5 A 1.300 83.300 20 226.9 2.9 1.704E-03 3322624525.40625 217.40 9.5 9.5 16.300 99.600 85.862 78.5 352.2 11.5 320 1334 C 9 H 5 A 1.325 83.325 20 224.8 2.7 1.552E-03 3322624530.32812 217.40 7.4 7.4 16.300 99.625 85.884 80.1 359.7 9.9 320 1334 C 9 H 5 A 1.350 83.350 20 223.6 2.3 1.243E-03 3322624535.26562 217.40 6.2 6.2 16.300 99.650 85.905 80.8 5.7 9.2 320 1334 C 9 H 5 A 1.375 83.375 20 221.6 -0.2 9.858E-04 3322624540.18750 217.40 4.2 4.2 16.300 99.675 85.927 80.9 20.5 9.1 320 1334 C 9 H 5 A 1.400 83.400 20 221.4 -3.1 8.902E-04 3322624545.12500 217.40 4.0 4.0 16.300 99.700 85.948 79.7 25.2 10.4 320 1334 C 9 H 5 A 1.425 83.425 20 219.2 -4.2 9.314E-04 3322624550.04687 217.40 1.8 1.8 16.300 99.725 85.970 79.7 37.9 10.3 320 1334 C 9 H 6 A 0.075 83.575 20 232.3 -2.7 1.264E-03 3322625286.18750 217.40 14.9 14.9 16.300 99.875 86.099 72.4 349.6 17.6 320 1334 C 9 H 6 A 0.100 83.600 20 230.4 -0.3 1.395E-03 3322625291.12500 217.40 13.0 13.0 16.300 99.900 86.121 74.7 349.6 15.3 320 1334 C 9 H 6 A 0.125 83.625 20 230.0 2.1 1.391E-03 3322625296.04687 217.40 12.6 12.6 16.300 99.925 86.142 75.7 346.4 14.4 320 1334 C 9 H 6 A 0.150 83.650 20 231.3 2.5 1.339E-03 3322625300.98437 217.40 13.9 13.9 16.300 99.950 86.164 74.6 343.3 15.4 320 1334 C 9 H 6 A 0.175 83.675 20 232.3 -0.2 1.267E-03 3322625305.90625 217.40 14.9 14.9 16.300 99.975 86.185 73.1 345.9 16.9 320 1334 C 9 H 6 A 0.200 83.700 20 235.9 -4.7 1.146E-03 3322625310.84375 217.40 18.5 18.5 16.300 100.000 86.207 68.8 346.6 21.2 320 1334 C 9 H 6 A 0.225 83.725 20 237.9 -8.2 1.003E-03 3322625315.78125 217.40 20.5 20.5 16.300 100.025 86.228 66.2 348.0 23.8 320 1334 C 9 H 6 A 0.250 83.750 20 238.3 -8.2 9.361E-04 3322625320.70312 217.40 20.9 20.9 16.300 100.050 86.250 65.9 347.5 24.1 320 1334 C 9 H 6 A 0.275 83.775 20 235.6 -5.2 1.021E-03 3322625325.64062 217.40 18.2 18.2 16.300 100.075 86.272 69.0 347.6 21.0 320 1334 C 9 H 6 A 0.300 83.800 20 233.5 -2.5 1.141E-03 3322625330.57812 217.40 16.1 16.1 16.300 100.100 86.293 71.5 347.3 18.5 320 1334 C 9 H 6 A 0.325 83.825 20 233.3 -0.7 1.247E-03 3322625335.50000 217.40 15.9 15.9 16.300 100.125 86.315 72.1 345.1 17.9 320 1334 C 9 H 6 A 0.350 83.850 20 234.6 0.6 1.298E-03 3322625340.43750 217.40 17.2 17.2 16.300 100.150 86.336 71.2 341.4 18.8 320 1334 C 9 H 6 A 0.375 83.875 20 234.5 0.7 1.346E-03 3322625345.37500 217.40 17.1 17.1 16.300 100.175 86.358 71.3 341.4 18.7 320 1334 C 9 H 6 A 0.400 83.900 20 234.9 0.3 1.343E-03 3322625350.29687 217.40 17.5 17.5 16.300 100.200 86.379 70.9 341.4 19.1 320 1334 C 9 H 6 A 0.425 83.925 20 233.4 -0.5 1.277E-03 3322625355.23437 217.40 16.0 16.0 16.300 100.225 86.401 72.0 344.6 18.0 320 1334 C 9 H 6 A 0.450 83.950 20 237.0 -2.3 1.018E-03 3322625360.17187 217.40 19.6 19.6 16.300 100.250 86.422 68.4 342.3 21.6 320 1334 C 9 H 6 A 0.475 83.975 20 239.5 -5.1 6.775E-04 3322625365.10937 217.40 22.1 22.1 16.300 100.275 86.444 65.6 342.7 24.4 320 1334 C 9 H 6 A 0.500 84.000 20 49.0 -5.3 6.022E-04 3322625370.03125 217.40 191.6 191.6 16.300 100.300 86.466 -77.3 162.2 167.3 320 1334 C 9 H 6 A 0.525 84.025 20 42.9 -3.5 4.110E-04 3322625374.96875 217.40 185.5 185.5 16.300 100.325 86.487 -81.7 186.5 171.7 320 1334 C 9 H 6 A 0.550 84.050 20 49.1 1.3 7.477E-04 3322625379.90625 217.40 191.7 191.7 16.300 100.350 86.509 -75.5 174.1 165.5 320 1334 C 9 H 6 A 0.575 84.075 20 48.0 2.0 8.869E-04 3322625384.82812 217.40 190.6 190.6 16.300 100.375 86.530 -76.1 178.0 166.1 320 1334 C 9 H 6 A 0.600 84.100 20 50.1 1.3 9.051E-04 3322625389.76562 217.40 192.7 192.7 16.300 100.400 86.552 -74.7 171.8 164.7 320 1334 C 9 H 6 A 0.625 84.125 20 51.8 -1.7 9.745E-04 3322625394.68750 217.40 194.4 194.4 16.300 100.425 86.573 -74.0 163.8 164.0 320 1334 C 9 H 6 A 0.650 84.150 20 52.1 -4.5 1.040E-03 3322625399.62500 217.40 194.7 194.7 16.300 100.450 86.595 -74.3 158.7 164.3 320 1334 C 9 H 6 A 0.675 84.175 20 50.8 -7.2 1.054E-03 3322625404.54687 217.40 193.4 193.4 16.300 100.475 86.616 -76.0 155.5 166.0 320 1334 C 9 H 6 A 0.700 84.200 20 50.7 -9.2 9.694E-04 3322625409.48437 217.40 193.3 193.3 16.300 100.500 86.638 -76.4 151.5 166.4 320 1334 C 9 H 6 A 0.725 84.225 20 49.7 -11.2 8.325E-04 3322625414.42187 217.40 192.3 192.3 16.300 100.525 86.659 -77.6 148.1 167.6 320 1334 C 9 H 6 A 0.750 84.250 20 50.2 -12.3 6.850E-04 3322625419.35937 217.40 192.8 192.8 16.300 100.550 86.681 -77.2 145.2 167.2 320 1334 C 9 H 6 A 0.775 84.275 20 50.0 -11.5 5.933E-04 3322625424.28125 217.40 192.6 192.6 16.300 100.575 86.703 -77.3 147.2 167.3 320 1334 C 9 H 6 A 0.800 84.300 20 53.4 -8.3 6.632E-04 3322625429.21875 217.40 196.0 196.0 16.300 100.600 86.724 -73.6 150.6 163.6 320 1334 C 9 H 6 A 0.825 84.325 20 67.3 -3.4 1.548E-03 3322625434.15625 217.40 209.9 209.9 16.300 100.625 86.746 -59.6 148.4 149.6 320 1334 C 9 H 6 A 0.850 84.350 20 36.4 -3.4 1.746E-03 3322625439.07812 217.40 179.0 179.0 16.300 100.650 86.767 -83.6 237.1 173.6 320 1334 C 9 H 6 A 0.875 84.375 20 51.2 -4.9 1.525E-03 3322625444.01562 217.40 193.8 193.8 16.300 100.675 86.789 -75.2 159.3 165.2 320 1334 C 9 H 6 A 0.900 84.400 20 52.0 -6.2 1.470E-03 3322625448.93750 217.40 194.6 194.6 16.300 100.700 86.810 -74.7 155.8 164.7 320 1334 C 9 H 6 A 0.925 84.425 20 49.8 -8.3 1.280E-03 3322625453.87500 217.40 192.4 192.4 16.300 100.725 86.832 -77.1 154.6 167.1 320 1334 C 9 H 6 A 0.950 84.450 20 52.5 -9.7 9.861E-04 3322625458.81250 217.40 195.1 195.1 16.300 100.750 86.853 -74.7 148.8 164.7 320 1334 C 9 H 6 A 0.975 84.475 20 52.9 -11.0 6.329E-04 3322625463.73437 217.40 195.5 195.5 16.300 100.775 86.875 -74.4 146.1 164.4 320 1334 C 9 H 6 A 1.000 84.500 20 54.0 -12.0 3.838E-04 3322625468.67187 217.40 196.6 196.6 16.300 100.800 86.897 -73.4 143.7 163.4 320 1334 C 9 H 6 A 1.025 84.525 20 54.6 -14.5 2.550E-04 3322625473.60937 217.40 197.2 197.2 16.300 100.825 86.918 -72.9 139.0 162.9 320 1334 C 9 H 6 A 1.050 84.550 20 56.5 -12.6 2.591E-04 3322625478.53125 217.40 199.1 199.1 16.300 100.850 86.940 -71.0 141.7 161.0 320 1334 C 9 H 6 A 1.075 84.575 20 61.2 -9.5 3.056E-04 3322625483.46875 217.40 203.8 203.8 16.300 100.875 86.961 -66.1 144.3 156.1 320 1334 C 9 H 6 A 1.100 84.600 20 55.4 -8.6 3.897E-04 3322625488.40625 217.40 198.0 198.0 16.300 100.900 86.983 -71.7 148.6 161.7 320 1334 C 9 H 6 A 1.125 84.625 20 56.6 -9.4 4.310E-04 3322625493.34375 217.40 199.2 199.2 16.300 100.925 87.004 -70.6 146.6 160.6 320 1334 C 9 H 6 A 1.150 84.650 20 53.5 -10.9 4.563E-04 3322625498.26562 217.40 196.1 196.1 16.300 100.950 87.026 -73.8 145.9 163.8 320 1334 C 9 H 6 A 1.175 84.675 20 48.7 -11.9 4.508E-04 3322625503.20312 217.40 191.3 191.3 16.300 100.975 87.047 -78.6 147.3 168.6 320 1334 C 9 H 6 A 1.200 84.700 20 47.9 -14.3 3.611E-04 3322625508.14062 217.40 190.5 190.5 16.300 101.000 87.069 -79.6 141.4 169.6 320 1334 C 9 H 6 A 1.225 84.725 20 52.3 -18.8 2.660E-04 3322625513.07812 217.40 194.9 194.9 16.300 101.025 87.091 -75.2 130.5 165.2 320 1334 C 9 H 6 A 1.250 84.750 20 169.1 -6.3 6.516E-04 3322625518.00000 217.40 311.7 -48.3 16.300 101.050 87.112 40.6 126.9 49.5 320 1334 C 9 H 6 A 1.275 84.775 20 266.3 -5.7 5.855E-04 3322625522.93750 217.40 48.9 48.9 16.300 101.075 87.134 40.0 328.6 50.0 320 1334 C 9 H 6 A 1.300 84.800 20 203.3 -28.5 1.061E-04 3322625527.87500 217.40 345.9 -14.1 16.300 101.100 87.155 62.9 79.1 27.1 320 1334 C 9 H 6 A 1.325 84.825 20 219.6 -41.0 9.608E-05 3322625532.81250 217.40 2.2 2.2 16.300 101.125 87.177 58.4 44.2 31.6 320 1334 C 9 H 6 A 1.350 84.850 20 41.0 -72.3 8.880E-05 3322625537.73437 217.40 183.6 183.6 16.300 101.150 87.198 -40.5 50.6 130.5 320 1334 C 9 H 6 A 1.375 84.875 20 34.6 -35.7 2.038E-04 3322625542.67187 217.40 177.2 177.2 16.300 101.175 87.220 -77.9 35.3 167.9 320 1334 C 9 H 6 A 1.400 84.900 20 44.4 -27.1 3.005E-04 3322625547.60937 217.40 187.0 187.0 16.300 101.200 87.241 -80.7 94.6 170.7 320 1334 C 9 H 6 A 1.425 84.925 20 46.4 -20.8 4.025E-04 3322625552.53125 217.40 189.0 189.0 16.300 101.225 87.263 -80.7 120.1 170.7 320 1334 C 9 H 7 A 0.075 85.075 20 28.1 0.8 5.937E-04 3322626266.00000 217.40 170.7 170.7 16.300 101.375 87.392 -77.5 276.3 167.5 320 1334 C 9 H 7 A 0.100 85.100 20 26.6 1.0 5.375E-04 3322626270.93750 217.40 169.2 169.2 16.300 101.400 87.414 -76.3 280.2 166.3 320 1334 C 9 H 7 A 0.125 85.125 20 33.5 1.3 4.790E-04 3322626275.87500 217.40 176.1 176.1 16.300 101.425 87.435 -80.5 252.4 170.5 320 1334 C 9 H 7 A 0.150 85.150 20 38.0 1.7 4.464E-04 3322626280.79687 217.40 180.6 180.6 16.300 101.450 87.457 -81.1 224.1 171.1 320 1334 C 9 H 7 A 0.175 85.175 20 38.4 -1.9 4.428E-04 3322626285.73437 217.40 181.0 181.0 16.300 101.475 87.478 -82.9 219.9 172.9 320 1334 C 9 H 7 A 0.200 85.200 20 37.7 -4.6 5.385E-04 3322626290.65625 217.40 180.3 180.3 16.300 101.500 87.500 -84.3 225.0 174.3 320 1334 C 9 H 7 A 0.225 85.225 20 43.8 -4.3 6.339E-04 3322626295.59375 217.40 186.4 186.4 16.300 101.525 87.522 -81.4 180.2 171.4 320 1334 C 9 H 7 A 0.250 85.250 20 44.9 -1.1 7.668E-04 3322626300.53125 217.40 187.5 187.5 16.300 101.550 87.543 -79.5 182.6 169.5 320 1334 C 9 H 7 A 0.275 85.275 20 47.8 2.1 8.962E-04 3322626305.45312 217.40 190.4 190.4 16.300 101.575 87.565 -76.2 178.7 166.2 320 1334 C 9 H 7 A 0.300 85.300 20 47.6 4.4 1.029E-03 3322626310.39062 217.40 190.2 190.2 16.300 101.600 87.586 -75.6 182.7 165.6 320 1334 C 9 H 7 A 0.325 85.325 20 46.3 4.5 1.152E-03 3322626315.31250 217.40 188.9 188.9 16.300 101.625 87.608 -76.4 186.8 166.4 320 1334 C 9 H 7 A 0.350 85.350 20 33.7 2.0 1.548E-03 3322626320.25000 217.40 176.3 176.3 16.300 101.650 87.629 -80.3 250.5 170.3 320 1334 C 9 H 7 A 0.375 85.375 20 50.9 -0.6 1.581E-03 3322626325.18750 217.40 193.5 193.5 16.300 101.675 87.651 -74.5 167.2 164.5 320 1334 C 9 H 7 A 0.400 85.400 20 43.0 -4.4 1.473E-03 3322626330.10937 217.40 185.6 185.6 16.300 101.700 87.672 -82.0 183.8 172.0 320 1334 C 9 H 7 A 0.425 85.425 20 44.3 -5.9 1.680E-03 3322626335.04687 217.40 186.9 186.9 16.300 101.725 87.694 -81.5 173.9 171.5 320 1334 C 9 H 7 A 0.450 85.450 20 43.9 -6.7 1.835E-03 3322626339.98437 217.40 186.5 186.5 16.300 101.750 87.716 -82.0 173.3 172.0 320 1334 C 9 H 7 A 0.475 85.475 20 42.0 -7.7 1.850E-03 3322626344.90625 217.40 184.6 184.6 16.300 101.775 87.737 -83.8 179.9 173.8 320 1334 C 9 H 7 A 0.500 85.500 20 42.2 -8.5 1.642E-03 3322626349.84375 217.40 184.8 184.8 16.300 101.800 87.759 -84.0 175.7 174.0 320 1334 C 9 H 7 A 0.525 85.525 20 42.9 -7.9 1.444E-03 3322626354.78125 217.40 185.5 185.5 16.300 101.825 87.780 -83.2 174.1 173.2 320 1334 C 9 H 7 A 0.550 85.550 20 43.9 -6.9 1.268E-03 3322626359.70312 217.40 186.5 186.5 16.300 101.850 87.802 -82.1 172.7 172.1 320 1334 C 9 H 7 A 0.575 85.575 20 44.3 -6.6 1.195E-03 3322626364.64062 217.40 186.9 186.9 16.300 101.875 87.823 -81.7 172.0 171.7 320 1334 C 10 H 1 A 0.250 85.750 20 220.6 20.1 7.945E-04 3322627631.70312 264.50 316.1 -43.9 17.980 103.730 89.422 46.6 144.7 43.4 320 1334 C 10 H 1 A 0.275 85.775 20 221.2 14.2 1.116E-03 3322627636.64062 264.50 316.7 -43.3 17.980 103.755 89.444 47.1 140.0 42.9 320 1334 C 10 H 1 A 0.300 85.800 20 221.8 13.6 1.146E-03 3322627641.56250 264.50 317.3 -42.7 17.980 103.780 89.466 47.7 139.5 42.3 320 1334 C 10 H 1 A 0.325 85.825 20 221.0 14.6 1.040E-03 3322627646.50000 264.50 316.5 -43.5 17.980 103.805 89.487 46.9 140.4 43.1 320 1334 C 10 H 1 A 0.350 85.850 20 220.4 15.6 9.102E-04 3322627651.43750 264.50 315.9 -44.1 17.980 103.830 89.509 46.4 141.2 43.7 320 1334 C 10 H 1 A 0.375 85.875 20 220.6 17.4 7.804E-04 3322627656.35937 264.50 316.1 -43.9 17.980 103.855 89.530 46.6 142.6 43.4 320 1334 C 10 H 1 A 0.400 85.900 20 220.2 20.0 6.721E-04 3322627661.29687 264.50 315.7 -44.3 17.980 103.880 89.552 46.2 144.6 43.8 320 1334 C 10 H 1 A 0.425 85.925 20 216.0 23.0 5.920E-04 3322627666.23437 264.50 311.5 -48.5 17.980 103.905 89.573 42.1 147.0 47.9 320 1334 C 10 H 1 A 0.450 85.950 20 215.2 28.0 4.553E-04 3322627671.15625 264.50 310.7 -49.3 17.980 103.930 89.595 41.3 150.9 48.7 320 1334 C 10 H 1 A 0.475 85.975 20 220.5 48.0 2.324E-04 3322627676.09375 264.50 316.0 -44.0 17.980 103.955 89.616 43.7 171.0 46.3 320 1334 C 10 H 1 A 0.500 86.000 20 115.6 77.0 1.265E-04 3322627681.03125 264.50 211.1 211.1 17.980 103.980 89.638 -13.2 215.2 103.2 320 1334 C 10 H 1 A 0.525 86.025 20 31.7 16.5 2.859E-04 3322627685.95312 264.50 127.2 127.2 17.980 104.005 89.659 -34.9 301.9 124.9 320 1334 C 10 H 1 A 0.550 86.050 20 24.1 6.0 4.994E-04 3322627690.89062 264.50 119.6 119.6 17.980 104.030 89.681 -28.8 310.1 118.8 320 1334 C 10 H 1 A 0.575 86.075 20 22.4 6.4 6.142E-04 3322627695.82812 264.50 117.9 117.9 17.980 104.055 89.703 -27.1 310.3 117.1 320 1334 C 10 H 1 A 0.600 86.100 20 24.4 12.9 4.988E-04 3322627700.75000 264.50 119.9 119.9 17.980 104.080 89.724 -28.3 306.1 118.3 320 1334 C 10 H 1 A 0.625 86.125 20 35.1 20.4 3.409E-04 3322627705.68750 264.50 130.6 130.6 17.980 104.105 89.746 -37.5 298.1 127.5 320 1334 C 10 H 1 A 0.650 86.150 20 65.5 46.0 1.720E-04 3322627710.62500 264.50 161.0 161.0 17.980 104.130 89.767 -50.1 254.8 140.1 320 1334 C 10 H 1 A 0.675 86.175 20 149.3 54.5 1.805E-04 3322627715.56250 264.50 244.8 244.8 17.980 104.155 89.789 -15.4 177.8 105.4 320 1334 C 10 H 1 A 0.700 86.200 20 177.2 65.1 1.625E-04 3322627720.48437 264.50 272.7 -87.3 17.980 104.180 89.810 7.7 184.7 82.3 320 1334 C 10 H 1 A 0.725 86.225 20 58.4 57.9 1.506E-04 3322627725.42187 264.50 153.9 153.9 17.980 104.205 89.832 -37.5 253.7 127.5 320 1334 C 10 H 1 A 0.750 86.250 20 47.3 22.4 2.748E-04 3322627730.35937 264.50 142.8 142.8 17.980 104.230 89.853 -48.1 290.5 138.1 320 1334 C 10 H 1 A 0.775 86.275 20 38.7 11.0 3.965E-04 3322627735.28125 264.50 134.2 134.2 17.980 104.255 89.875 -42.4 302.9 132.4 320 1334 C 10 H 1 A 0.800 86.300 20 38.7 8.7 4.633E-04 3322627740.21875 264.50 134.2 134.2 17.980 104.280 89.897 -42.7 304.5 132.7 320 1334 C 10 H 1 A 0.825 86.325 20 44.0 11.6 4.857E-04 3322627745.15625 264.50 139.5 139.5 17.980 104.305 89.918 -47.3 300.3 137.3 320 1334 C 10 H 1 A 0.850 86.350 20 52.2 14.7 4.928E-04 3322627750.07812 264.50 147.7 147.7 17.980 104.330 89.940 -54.3 293.2 144.3 320 1334 C 10 H 1 A 0.875 86.375 20 55.4 15.1 4.999E-04 3322627755.01562 264.50 150.9 150.9 17.980 104.355 89.961 -57.0 290.3 147.0 320 1334 C 10 H 1 A 0.900 86.400 20 53.1 16.3 4.698E-04 3322627759.93750 264.50 148.6 148.6 17.980 104.380 89.983 -54.7 291.2 144.7 320 1334 C 10 H 1 A 0.925 86.425 20 47.4 19.4 4.460E-04 3322627764.87500 264.50 142.9 142.9 17.980 104.405 90.004 -48.9 292.7 138.9 320 1334 C 10 H 1 A 0.950 86.450 20 43.4 23.5 4.096E-04 3322627769.81250 264.50 138.9 138.9 17.980 104.430 90.026 -44.4 292.1 134.4 320 1334 C 10 H 1 A 0.975 86.475 20 39.4 23.1 4.124E-04 3322627774.73437 264.50 134.9 134.9 17.980 104.455 90.047 -40.9 294.4 130.9 320 1334 C 10 H 1 A 1.000 86.500 20 42.4 20.0 4.718E-04 3322627779.67187 264.50 137.9 137.9 17.980 104.480 90.069 -44.3 295.1 134.3 320 1334 C 10 H 1 A 1.025 86.525 20 47.4 15.1 5.959E-04 3322627784.60937 264.50 142.9 142.9 17.980 104.505 90.091 -49.8 296.0 139.8 320 1334 C 10 H 1 A 1.050 86.550 20 50.2 9.3 7.463E-04 3322627789.53125 264.50 145.7 145.7 17.980 104.530 90.112 -53.5 298.8 143.5 320 1334 C 10 H 1 A 1.075 86.575 20 50.2 6.0 8.461E-04 3322627794.46875 264.50 145.7 145.7 17.980 104.555 90.134 -54.1 301.5 144.1 320 1334 C 10 H 1 A 1.100 86.600 20 49.9 5.0 7.927E-04 3322627799.40625 264.50 145.4 145.4 17.980 104.580 90.155 -53.9 302.5 143.9 320 1334 C 10 H 1 A 1.125 86.625 20 47.5 5.6 5.840E-04 3322627804.34375 264.50 143.0 143.0 17.980 104.605 90.177 -51.6 303.2 141.6 320 1334 C 10 H 1 A 1.150 86.650 20 43.6 5.0 4.345E-04 3322627809.26562 264.50 139.1 139.1 17.980 104.630 90.198 -47.9 305.3 137.9 320 1334 C 10 H 1 A 1.175 86.675 20 37.6 -31.9 4.601E-04 3322627814.20312 264.50 133.1 133.1 17.980 104.655 90.220 -43.4 334.3 133.4 320 1334 C 10 H 1 A 1.200 86.700 20 41.9 -2.8 3.939E-04 3322627819.14062 264.50 137.4 137.4 17.980 104.680 90.241 -47.1 311.4 137.1 320 1334 C 10 H 1 A 1.225 86.725 20 42.3 -7.0 5.574E-04 3322627824.07812 264.50 137.8 137.8 17.980 104.705 90.263 -47.8 314.4 137.8 320 1334 C 10 H 1 A 1.250 86.750 20 46.8 -10.1 7.482E-04 3322627829.00000 264.50 142.3 142.3 17.980 104.730 90.284 -52.5 316.0 142.5 320 1334 C 10 H 1 A 1.275 86.775 20 47.6 -11.9 9.392E-04 3322627833.93750 264.50 143.1 143.1 17.980 104.755 90.306 -53.3 317.4 143.3 320 1334 C 10 H 1 A 1.300 86.800 20 48.5 -12.9 1.126E-03 3322627838.87500 264.50 144.0 144.0 17.980 104.780 90.328 -54.3 318.1 144.3 320 1334 C 10 H 1 A 1.325 86.825 20 57.3 -13.0 1.515E-03 3322627843.79687 264.50 152.8 152.8 17.980 104.805 90.349 -63.0 316.8 153.0 320 1334 C 10 H 1 A 1.350 86.850 20 47.3 -11.2 1.298E-03 3322627848.73437 264.50 142.8 142.8 17.980 104.830 90.371 -53.0 316.8 143.0 320 1334 C 10 H 1 A 1.375 86.875 20 47.8 -7.9 1.370E-03 3322627853.65625 264.50 143.3 143.3 17.980 104.855 90.392 -53.3 313.9 143.3 320 1334 C 10 H 1 A 1.400 86.900 20 48.4 -5.7 1.393E-03 3322627858.59375 264.50 143.9 143.9 17.980 104.880 90.414 -53.7 311.9 143.7 320 1334 C 10 H 1 A 1.425 86.925 20 47.8 -3.9 1.381E-03 3322627863.53125 264.50 143.3 143.3 17.980 104.905 90.435 -53.0 310.6 143.0 320 1334 C 10 H 2 A 0.075 87.075 20 51.9 1.2 8.426E-04 3322683131.64062 264.50 147.4 147.4 17.980 105.055 90.565 -56.4 304.7 146.4 320 1334 C 10 H 2 A 0.100 87.100 20 55.8 3.2 7.090E-04 3322683136.57812 264.50 151.3 151.3 17.980 105.080 90.586 -59.8 300.7 149.8 320 1334 C 10 H 2 A 0.125 87.125 20 55.0 6.2 6.173E-04 3322683141.50000 264.50 150.5 150.5 17.980 105.105 90.608 -58.6 298.5 148.6 320 1334 C 10 H 2 A 0.150 87.150 20 53.6 10.6 5.357E-04 3322683146.43750 264.50 149.1 149.1 17.980 105.130 90.629 -56.4 295.6 146.4 320 1334 C 10 H 2 A 0.175 87.175 20 51.6 14.8 4.926E-04 3322683151.37500 264.50 147.1 147.1 17.980 105.155 90.651 -53.7 293.5 143.7 320 1334 C 10 H 2 A 0.200 87.200 20 52.5 13.9 5.213E-04 3322683156.29687 264.50 148.0 148.0 17.980 105.180 90.672 -54.7 293.6 144.7 320 1334 C 10 H 2 A 0.225 87.225 20 67.4 6.4 5.129E-04 3322683161.23437 264.50 162.9 162.9 17.980 105.205 90.694 -69.6 285.4 159.6 320 1334 C 10 H 2 A 0.250 87.250 20 71.4 -6.2 5.731E-04 3322683166.15625 264.50 166.9 166.9 17.980 105.230 90.716 -76.1 298.2 166.1 320 1334 C 10 H 2 A 0.275 87.275 20 63.6 -15.9 6.583E-04 3322683171.09375 264.50 159.1 159.1 17.980 105.255 90.737 -69.3 319.8 159.3 320 1334 C 10 H 2 A 0.300 87.300 20 56.2 -14.9 8.196E-04 3322683176.03125 264.50 151.7 151.7 17.980 105.280 90.759 -62.0 319.1 152.0 320 1334 C 10 H 2 A 0.325 87.325 20 55.2 -11.2 9.909E-04 3322683180.95312 264.50 150.7 150.7 17.980 105.305 90.780 -60.8 315.3 150.8 320 1334 C 10 H 2 A 0.350 87.350 20 60.1 -8.5 1.236E-03 3322683185.89062 264.50 155.6 155.6 17.980 105.330 90.802 -65.5 310.8 155.5 320 1334 C 10 H 2 A 0.375 87.375 20 57.3 -8.9 1.119E-03 3322683190.82812 264.50 152.8 152.8 17.980 105.355 90.823 -62.7 312.3 152.7 320 1334 C 10 H 2 A 0.400 87.400 20 58.5 -8.9 1.046E-03 3322683195.75000 264.50 154.0 154.0 17.980 105.380 90.845 -63.9 311.8 153.9 320 1334 C 10 H 2 A 0.425 87.425 20 59.0 -9.3 9.932E-04 3322683200.68750 264.50 154.5 154.5 17.980 105.405 90.866 -64.5 312.1 154.5 320 1334 C 10 H 2 A 0.450 87.450 20 59.0 -9.5 9.855E-04 3322683205.62500 264.50 154.5 154.5 17.980 105.430 90.888 -64.5 312.4 154.5 320 1334 C 10 H 2 A 0.475 87.475 20 59.1 -8.7 1.014E-03 3322683210.54687 264.50 154.6 154.6 17.980 105.455 90.909 -64.5 311.4 154.5 320 1334 C 10 H 2 A 0.500 87.500 20 64.8 -6.9 1.022E-03 3322683215.48437 264.50 160.3 160.3 17.980 105.480 90.931 -69.9 306.1 159.9 320 1334 C 10 H 2 A 0.525 87.525 20 69.4 -4.3 9.849E-04 3322683220.40625 264.50 164.9 164.9 17.980 105.505 90.953 -73.9 297.6 163.9 320 1334 C 10 H 2 A 0.550 87.550 20 70.2 -1.6 8.818E-04 3322683225.34375 264.50 165.7 165.7 17.980 105.530 90.974 -74.0 291.9 164.0 320 1334 C 10 H 2 A 0.575 87.575 20 65.8 -0.7 8.220E-04 3322683230.28125 264.50 161.3 161.3 17.980 105.555 90.996 -69.9 296.6 159.9 320 1334 C 10 H 2 A 0.600 87.600 20 61.2 0.0 8.414E-04 3322683235.20312 264.50 156.7 156.7 17.980 105.580 91.017 -65.4 300.1 155.4 320 1334 C 10 H 2 A 0.625 87.625 20 61.0 0.1 9.197E-04 3322683240.14062 264.50 156.5 156.5 17.980 105.605 91.039 -65.2 300.2 155.2 320 1334 C 10 H 2 A 0.650 87.650 20 62.0 -0.2 9.511E-04 3322683245.06250 264.50 157.5 157.5 17.980 105.630 91.060 -66.2 299.7 156.2 320 1334 C 10 H 2 A 0.675 87.675 20 62.6 -0.5 9.047E-04 3322683250.00000 264.50 158.1 158.1 17.980 105.655 91.082 -66.8 299.5 156.8 320 1334 C 10 H 2 A 0.700 87.700 20 65.2 -0.5 7.886E-04 3322683254.93750 264.50 160.7 160.7 17.980 105.680 91.103 -69.3 297.0 159.3 320 1334 C 10 H 2 A 0.725 87.725 20 66.3 0.2 6.678E-04 3322683259.85937 264.50 161.8 161.8 17.980 105.705 91.125 -70.1 294.8 160.1 320 1334 C 10 H 2 A 0.750 87.750 20 65.5 0.7 5.802E-04 3322683264.79687 264.50 161.0 161.0 17.980 105.730 91.147 -69.3 295.1 159.3 320 1334 C 10 H 2 A 0.775 87.775 20 66.7 1.8 4.399E-04 3322683269.73437 264.50 162.2 162.2 17.980 105.755 91.168 -70.2 292.2 160.2 320 1334 C 10 H 2 A 0.800 87.800 20 69.3 9.8 4.052E-04 3322683274.65625 264.50 164.8 164.8 17.980 105.780 91.190 -70.1 278.1 160.1 320 1334 C 10 H 2 A 0.825 87.825 20 71.0 14.5 5.713E-04 3322683279.59375 264.50 166.5 166.5 17.980 105.805 91.211 -69.6 269.6 159.6 320 1334 C 10 H 2 A 0.850 87.850 20 71.0 10.9 7.212E-04 3322683284.53125 264.50 166.5 166.5 17.980 105.830 91.233 -70.9 273.4 160.9 320 1334 C 10 H 2 A 0.875 87.875 20 70.4 5.1 7.382E-04 3322683289.45312 264.50 165.9 165.9 17.980 105.855 91.254 -72.4 281.7 162.4 320 1334 C 10 H 2 A 0.900 87.900 20 68.3 -1.8 7.161E-04 3322683294.39062 264.50 163.8 163.8 17.980 105.880 91.276 -72.4 295.1 162.4 320 1334 C 10 H 2 A 0.925 87.925 20 65.3 -5.1 8.223E-04 3322683299.31250 264.50 160.8 160.8 17.980 105.905 91.297 -70.1 303.2 160.1 320 1334 C 10 H 2 A 0.950 87.950 20 63.7 -4.1 9.335E-04 3322683304.25000 264.50 159.2 159.2 17.980 105.930 91.319 -68.5 303.1 158.5 320 1334 C 10 H 2 A 0.975 87.975 20 63.5 -1.7 1.040E-03 3322683309.17187 264.50 159.0 159.0 17.980 105.955 91.341 -67.9 300.2 157.9 320 1334 C 10 H 2 A 1.000 88.000 20 63.8 -0.4 1.126E-03 3322683314.10937 264.50 159.3 159.3 17.980 105.980 91.362 -67.9 298.3 157.9 320 1334 C 10 H 2 A 1.025 88.025 20 65.6 0.2 1.214E-03 3322683319.04687 264.50 161.1 161.1 17.980 106.005 91.384 -69.5 295.6 159.5 320 1334 C 10 H 2 A 1.050 88.050 20 65.5 0.4 1.257E-03 3322683323.98437 264.50 161.0 161.0 17.980 106.030 91.405 -69.4 295.5 159.4 320 1334 C 10 H 2 A 1.075 88.075 20 66.4 1.5 1.177E-03 3322683328.90625 264.50 161.9 161.9 17.980 106.055 91.427 -69.9 293.0 159.9 320 1334 C 10 H 2 A 1.100 88.100 20 65.6 3.8 9.889E-04 3322683333.84375 264.50 161.1 161.1 17.980 106.080 91.448 -68.7 291.1 158.7 320 1334 C 10 H 2 A 1.125 88.125 20 69.5 7.2 7.550E-04 3322683338.78125 264.50 165.0 165.0 17.980 106.105 91.470 -71.1 280.8 161.1 320 1334 C 10 H 2 A 1.150 88.150 20 74.3 10.6 5.445E-04 3322683343.70312 264.50 169.8 169.8 17.980 106.130 91.491 -73.2 265.7 163.2 320 1334 C 10 H 2 A 1.175 88.175 20 79.1 11.2 4.357E-04 3322683348.64062 264.50 174.6 174.6 17.980 106.155 91.513 -75.3 249.7 165.3 320 1334 C 10 H 2 A 1.200 88.200 20 90.0 11.4 3.630E-04 3322683353.56250 264.50 185.5 185.5 17.980 106.180 91.534 -75.2 206.1 165.2 320 1334 C 10 H 2 A 1.225 88.225 20 94.0 11.4 3.221E-04 3322683358.50000 264.50 189.5 189.5 17.980 106.205 91.556 -73.3 193.2 163.3 320 1334 C 10 H 2 A 1.250 88.250 20 93.6 16.5 2.611E-04 3322683363.42187 264.50 189.1 189.1 17.980 106.230 91.578 -71.2 198.9 161.2 320 1334 C 10 H 2 A 1.275 88.275 20 91.4 21.9 2.637E-04 3322683368.35937 264.50 186.9 186.9 17.980 106.255 91.599 -69.5 208.4 159.5 320 1334 C 10 H 2 A 1.300 88.300 20 72.6 15.8 3.347E-04 3322683373.28125 264.50 168.1 168.1 17.980 106.280 91.621 -70.0 264.8 160.0 320 1334 C 10 H 2 A 1.325 88.325 20 73.2 6.7 4.258E-04 3322683378.21875 264.50 168.7 168.7 17.980 106.305 91.642 -74.0 273.2 164.0 320 1334 C 10 H 2 A 1.350 88.350 20 72.1 0.1 5.354E-04 3322683383.15625 264.50 167.6 167.6 17.980 106.330 91.664 -75.3 285.5 165.3 320 1334 C 10 H 2 A 1.375 88.375 20 71.7 -3.7 6.107E-04 3322683388.07812 264.50 167.2 167.2 17.980 106.355 91.685 -75.9 292.9 165.9 320 1334 C 10 H 2 A 1.400 88.400 20 74.2 -2.9 7.042E-04 3322683393.01562 264.50 169.7 169.7 17.980 106.380 91.707 -77.8 286.0 167.8 320 1334 C 10 H 2 A 1.425 88.425 20 74.9 0.0 8.417E-04 3322683397.95312 264.50 170.4 170.4 17.980 106.405 91.728 -77.5 278.6 167.5 320 1334 C 10 H 3 A 0.060 88.560 20 67.2 -2.0 1.314E-03 3322675950.42187 264.50 162.7 162.7 17.980 106.540 91.845 -71.4 296.8 161.4 320 1334 C 10 H 3 A 0.070 88.570 20 67.0 -2.1 1.417E-03 3322675955.01562 264.50 162.5 162.5 17.980 106.550 91.853 -71.2 297.2 161.2 320 1334 C 10 H 3 A 0.080 88.580 20 67.3 -2.1 1.458E-03 3322675959.60937 264.50 162.8 162.8 17.980 106.560 91.862 -71.5 296.8 161.5 320 1334 C 10 H 3 A 0.090 88.590 20 67.3 -2.1 1.467E-03 3322675964.18750 264.50 162.8 162.8 17.980 106.570 91.871 -71.5 296.8 161.5 320 1334 C 10 H 3 A 0.100 88.600 20 67.4 -2.0 1.411E-03 3322675968.76562 264.50 162.9 162.9 17.980 106.580 91.879 -71.6 296.5 161.6 320 1334 C 10 H 3 A 0.110 88.610 20 67.6 -1.7 1.340E-03 3322675973.35937 264.50 163.1 163.1 17.980 106.590 91.888 -71.7 295.9 161.7 320 1334 C 10 H 3 A 0.120 88.620 20 68.4 -1.4 1.248E-03 3322675977.95312 264.50 163.9 163.9 17.980 106.600 91.897 -72.4 294.4 162.4 320 1334 C 10 H 3 A 0.130 88.630 20 68.7 -0.9 1.144E-03 3322675982.54687 264.50 164.2 164.2 17.980 106.610 91.905 -72.5 293.2 162.5 320 1334 C 10 H 3 A 0.140 88.640 20 67.9 -0.7 1.029E-03 3322675987.14062 264.50 163.4 163.4 17.980 106.620 91.914 -71.8 294.0 161.8 320 1334 C 10 H 3 A 0.150 88.650 20 67.2 -0.5 9.002E-04 3322675991.71875 264.50 162.7 162.7 17.980 106.630 91.922 -71.1 294.7 161.1 320 1334 C 10 H 3 A 0.160 88.660 20 68.3 -0.6 7.605E-04 3322675996.31250 264.50 163.8 163.8 17.980 106.640 91.931 -72.1 293.3 162.1 320 1334 C 10 H 3 A 0.170 88.670 20 70.6 -0.5 6.313E-04 3322676000.89062 264.50 166.1 166.1 17.980 106.650 91.940 -74.1 289.5 164.1 320 1334 C 10 H 3 A 0.180 88.680 20 70.3 -1.1 5.203E-04 3322676005.48437 264.50 165.8 165.8 17.980 106.660 91.948 -74.0 291.0 164.0 320 1334 C 10 H 3 A 0.190 88.690 20 72.0 -2.1 4.270E-04 3322676010.07812 264.50 167.5 167.5 17.980 106.670 91.957 -75.7 289.5 165.7 320 1334 C 10 H 3 A 0.200 88.700 20 72.9 -3.2 3.682E-04 3322676014.67187 264.50 168.4 168.4 17.980 106.680 91.966 -76.8 289.6 166.8 320 1334 C 10 H 3 A 0.210 88.710 20 73.2 -4.4 3.115E-04 3322676019.26562 264.50 168.7 168.7 17.980 106.690 91.974 -77.3 291.4 167.3 320 1334 C 10 H 3 A 0.220 88.720 20 74.7 -4.3 2.801E-04 3322676023.84375 264.50 170.2 170.2 17.980 106.700 91.983 -78.6 287.6 168.6 320 1334 C 10 H 3 A 0.230 88.730 20 75.2 -3.8 2.665E-04 3322676028.43750 264.50 170.7 170.7 17.980 106.710 91.991 -78.9 285.2 168.9 320 1334 C 10 H 3 A 0.240 88.740 20 79.7 -2.6 2.643E-04 3322676033.03125 264.50 175.2 175.2 17.980 106.720 92.000 -81.8 263.8 171.8 320 1334 C 10 H 3 A 0.250 88.750 20 82.0 -1.0 2.784E-04 3322676037.60937 264.50 177.5 177.5 17.980 106.730 92.009 -82.1 246.5 172.1 320 1334 C 10 H 3 A 0.260 88.760 20 80.4 -0.3 3.041E-04 3322676042.20312 264.50 175.9 175.9 17.980 106.740 92.017 -81.2 255.7 171.2 320 1334 C 10 H 3 A 0.270 88.770 20 80.2 0.0 3.316E-04 3322676046.79687 264.50 175.7 175.7 17.980 106.750 92.026 -80.9 256.4 170.9 320 1334 C 10 H 3 A 0.280 88.780 20 79.0 -0.4 3.734E-04 3322676051.39062 264.50 174.5 174.5 17.980 106.760 92.034 -80.5 263.4 170.5 320 1334 C 10 H 3 A 0.290 88.790 20 82.2 -0.8 4.044E-04 3322676055.98437 264.50 177.7 177.7 17.980 106.770 92.043 -82.1 244.9 172.1 320 1334 C 10 H 3 A 0.300 88.800 20 82.1 -1.1 4.302E-04 3322676060.57812 264.50 177.6 177.6 17.980 106.780 92.052 -82.2 245.9 172.2 320 1334 C 10 H 3 A 0.310 88.810 20 80.6 -1.5 4.653E-04 3322676065.15625 264.50 176.1 176.1 17.980 106.790 92.060 -81.8 256.4 171.8 320 1334 C 10 H 3 A 0.320 88.820 20 76.6 -1.9 4.971E-04 3322676069.75000 264.50 172.1 172.1 17.980 106.800 92.069 -79.4 276.6 169.4 320 1334 C 10 H 3 A 0.330 88.830 20 76.5 -1.8 5.172E-04 3322676074.34375 264.50 172.0 172.0 17.980 106.810 92.078 -79.3 276.7 169.3 320 1334 C 10 H 3 A 0.340 88.840 20 71.1 -1.6 5.516E-04 3322676078.93750 264.50 166.6 166.6 17.980 106.820 92.086 -74.8 290.4 164.8 320 1334 C 10 H 3 A 0.350 88.850 20 71.2 -1.2 5.514E-04 3322676083.51562 264.50 166.7 166.7 17.980 106.830 92.095 -74.8 289.5 164.8 320 1334 C 10 H 3 A 0.360 88.860 20 68.5 -0.8 5.708E-04 3322676088.10937 264.50 164.0 164.0 17.980 106.840 92.103 -72.3 293.3 162.3 320 1334 C 10 H 3 A 0.370 88.870 20 68.6 -0.5 5.843E-04 3322676092.70312 264.50 164.1 164.1 17.980 106.850 92.112 -72.4 292.7 162.4 320 1334 C 10 H 3 A 0.380 88.880 20 66.7 -0.3 5.981E-04 3322676097.29687 264.50 162.2 162.2 17.980 106.860 92.121 -70.6 295.0 160.6 320 1334 C 10 H 3 A 0.390 88.890 20 64.0 -0.1 6.290E-04 3322676101.87500 264.50 159.5 159.5 17.980 106.870 92.129 -68.1 297.7 158.1 320 1334 C 10 H 3 A 0.400 88.900 20 64.7 0.3 6.358E-04 3322676106.46875 264.50 160.2 160.2 17.980 106.880 92.138 -68.7 296.5 158.7 320 1334 C 10 H 3 A 0.410 88.910 20 64.8 1.0 6.567E-04 3322676111.06250 264.50 160.3 160.3 17.980 106.890 92.147 -68.6 295.5 158.6 320 1334 C 10 H 3 A 0.420 88.920 20 64.4 1.8 6.631E-04 3322676115.65625 264.50 159.9 159.9 17.980 106.900 92.155 -68.1 295.0 158.1 320 1334 C 10 H 3 A 0.430 88.930 20 63.0 2.7 6.676E-04 3322676120.23437 264.50 158.5 158.5 17.980 106.910 92.164 -66.6 295.4 156.6 320 1334 C 10 H 3 A 0.440 88.940 20 63.5 3.9 6.570E-04 3322676124.82812 264.50 159.0 159.0 17.980 106.920 92.172 -66.8 293.5 156.8 320 1334 C 10 H 3 A 0.450 88.950 20 62.8 4.9 6.315E-04 3322676129.42187 264.50 158.3 158.3 17.980 106.930 92.181 -66.0 293.1 156.0 320 1334 C 10 H 3 A 0.460 88.960 20 64.0 6.0 6.060E-04 3322676134.01562 264.50 159.5 159.5 17.980 106.940 92.190 -66.8 290.5 156.8 320 1334 C 10 H 3 A 0.470 88.970 20 63.2 6.6 5.796E-04 3322676138.60937 264.50 158.7 158.7 17.980 106.950 92.198 -65.9 290.8 155.9 320 1334 C 10 H 3 A 0.480 88.980 20 67.3 7.2 5.426E-04 3322676143.18750 264.50 162.8 162.8 17.980 106.960 92.207 -69.3 284.6 159.3 320 1334 C 10 H 3 A 0.490 88.990 20 69.5 6.7 5.340E-04 3322676147.78125 264.50 165.0 165.0 17.980 106.970 92.216 -71.2 281.4 161.2 320 1334 C 10 H 3 A 0.500 89.000 20 72.1 6.4 5.340E-04 3322676152.35937 264.50 167.6 167.6 17.980 106.980 92.224 -73.3 276.3 163.3 320 1334 C 10 H 3 A 0.510 89.010 20 74.6 5.8 5.489E-04 3322676156.95312 264.50 170.1 170.1 17.980 106.990 92.233 -75.3 270.6 165.3 320 1334 C 10 H 3 A 0.520 89.020 20 78.3 5.2 5.756E-04 3322676161.54687 264.50 173.8 173.8 17.980 107.000 92.241 -77.7 258.5 167.7 320 1334 C 10 H 3 A 0.530 89.030 20 81.8 4.8 5.903E-04 3322676166.14062 264.50 177.3 177.3 17.980 107.010 92.250 -79.3 242.7 169.3 320 1334 C 10 H 3 A 0.540 89.040 20 84.6 4.2 6.121E-04 3322676170.73437 264.50 180.1 180.1 17.980 107.020 92.259 -79.9 227.5 169.9 320 1334 C 10 H 3 A 0.550 89.050 20 84.6 3.5 6.099E-04 3322676175.32812 264.50 180.1 180.1 17.980 107.030 92.267 -80.3 227.4 170.3 320 1334 C 10 H 3 A 0.560 89.060 20 83.0 3.2 6.013E-04 3322676179.92187 264.50 178.5 178.5 17.980 107.040 92.276 -80.3 237.0 170.3 320 1334 C 10 H 3 A 0.570 89.070 20 80.5 3.1 5.784E-04 3322676184.51562 264.50 176.0 176.0 17.980 107.050 92.284 -79.7 250.9 169.7 320 1334 C 10 H 3 A 0.580 89.080 20 81.7 3.7 5.327E-04 3322676189.09375 264.50 177.2 177.2 17.980 107.060 92.293 -79.8 244.0 169.8 320 1334 C 10 H 3 A 0.590 89.090 20 75.8 4.5 5.141E-04 3322676193.68750 264.50 171.3 171.3 17.980 107.070 92.302 -76.6 268.6 166.6 320 1334 C 10 H 3 A 0.600 89.100 20 77.3 5.6 4.902E-04 3322676198.26562 264.50 172.8 172.8 17.980 107.080 92.310 -77.0 261.9 167.0 320 1334 C 10 H 3 A 0.610 89.110 20 76.8 7.1 4.854E-04 3322676202.85937 264.50 172.3 172.3 17.980 107.090 92.319 -76.1 261.9 166.1 320 1334 C 10 H 3 A 0.620 89.120 20 76.9 7.9 4.967E-04 3322676207.45312 264.50 172.4 172.4 17.980 107.100 92.328 -75.8 260.7 165.8 320 1334 C 10 H 3 A 0.630 89.130 20 77.3 8.2 5.132E-04 3322676212.04687 264.50 172.8 172.8 17.980 107.110 92.336 -75.9 258.9 165.9 320 1334 C 10 H 3 A 0.640 89.140 20 75.5 7.5 5.468E-04 3322676216.64062 264.50 171.0 171.0 17.980 107.120 92.345 -75.2 265.7 165.2 320 1334 C 10 H 3 A 0.650 89.150 20 76.7 6.5 5.976E-04 3322676221.23437 264.50 172.2 172.2 17.980 107.130 92.353 -76.3 263.0 166.3 320 1334 C 10 H 3 A 0.660 89.160 20 75.7 5.4 6.610E-04 3322676225.82812 264.50 171.2 171.2 17.980 107.140 92.362 -76.2 267.7 166.2 320 1334 C 10 H 3 A 0.670 89.170 20 73.7 4.4 7.328E-04 3322676230.40625 264.50 169.2 169.2 17.980 107.150 92.371 -75.2 275.0 165.2 320 1334 C 10 H 3 A 0.680 89.180 20 73.0 3.7 8.059E-04 3322676235.00000 264.50 168.5 168.5 17.980 107.160 92.379 -74.9 277.8 164.9 320 1334 C 10 H 3 A 0.690 89.190 20 72.9 3.2 8.784E-04 3322676239.59375 264.50 168.4 168.4 17.980 107.170 92.388 -75.0 278.8 165.0 320 1334 C 10 H 3 A 0.700 89.200 20 71.6 2.6 9.416E-04 3322676244.18750 264.50 167.1 167.1 17.980 107.180 92.397 -74.1 282.7 164.1 320 1334 C 10 H 3 A 0.710 89.210 20 72.2 2.2 9.963E-04 3322676248.78125 264.50 167.7 167.7 17.980 107.190 92.405 -74.7 282.0 164.7 320 1334 C 10 H 3 A 0.720 89.220 20 72.9 1.9 1.034E-03 3322676253.35937 264.50 168.4 168.4 17.980 107.200 92.414 -75.4 280.8 165.4 320 1334 C 10 H 3 A 0.730 89.230 20 72.1 1.5 1.046E-03 3322676257.95312 264.50 167.6 167.6 17.980 107.210 92.422 -74.9 283.3 164.9 320 1334 C 10 H 3 A 0.740 89.240 20 73.7 1.4 1.028E-03 3322676262.54687 264.50 169.2 169.2 17.980 107.220 92.431 -76.2 279.6 166.2 320 1334 C 10 H 3 A 0.750 89.250 20 73.4 1.1 9.936E-04 3322676267.12500 264.50 168.9 168.9 17.980 107.230 92.440 -76.0 280.8 166.0 320 1334 C 10 H 3 A 0.760 89.260 20 73.6 0.7 9.455E-04 3322676271.71875 264.50 169.1 169.1 17.980 107.240 92.448 -76.3 281.0 166.3 320 1334 C 10 H 3 A 0.770 89.270 20 74.9 0.3 8.947E-04 3322676276.31250 264.50 170.4 170.4 17.980 107.250 92.457 -77.4 278.1 167.4 320 1334 C 10 H 3 A 0.780 89.280 20 73.5 -0.7 8.449E-04 3322676280.89062 264.50 169.0 169.0 17.980 107.260 92.466 -76.6 283.6 166.6 320 1334 C 10 H 3 A 0.790 89.290 20 74.4 -1.8 7.821E-04 3322676285.48437 264.50 169.9 169.9 17.980 107.270 92.474 -77.7 283.3 167.7 320 1334 C 10 H 3 A 0.800 89.300 20 75.4 -2.9 7.379E-04 3322676290.06250 264.50 170.9 170.9 17.980 107.280 92.483 -78.8 282.6 168.8 320 1334 C 10 H 3 A 0.810 89.310 20 72.0 -3.9 7.156E-04 3322676294.65625 264.50 167.5 167.5 17.980 107.290 92.491 -76.2 292.8 166.2 320 1334 C 10 H 3 A 0.820 89.320 20 76.0 -5.0 6.609E-04 3322676299.23437 264.50 171.5 171.5 17.980 107.300 92.500 -79.9 285.5 169.9 320 1334 C 10 H 3 A 0.830 89.330 20 74.7 -5.8 6.454E-04 3322676303.82812 264.50 170.2 170.2 17.980 107.310 92.509 -79.0 291.0 169.0 320 1334 C 10 H 3 A 0.840 89.340 20 74.0 -6.2 6.272E-04 3322676308.42187 264.50 169.5 169.5 17.980 107.320 92.517 -78.5 293.5 168.5 320 1334 C 10 H 3 A 0.850 89.350 20 76.1 -6.2 5.924E-04 3322676313.01562 264.50 171.6 171.6 17.980 107.330 92.526 -80.3 288.2 170.3 320 1334 C 10 H 3 A 0.860 89.360 20 77.8 -5.8 5.695E-04 3322676317.60937 264.50 173.3 173.3 17.980 107.340 92.534 -81.6 281.0 171.6 320 1334 C 10 H 3 A 0.870 89.370 20 77.6 -4.9 5.655E-04 3322676322.20312 264.50 173.1 173.1 17.980 107.350 92.543 -81.2 279.5 171.2 320 1334 C 10 H 3 A 0.880 89.380 20 77.8 -4.0 5.452E-04 3322676326.78125 264.50 173.3 173.3 17.980 107.360 92.552 -81.0 276.4 171.0 320 1334 C 10 H 3 A 0.890 89.390 20 77.0 -3.0 5.239E-04 3322676331.37500 264.50 172.5 172.5 17.980 107.370 92.560 -80.1 277.4 170.1 320 1334 C 10 H 3 A 0.900 89.400 20 77.8 -1.7 5.093E-04 3322676335.95312 264.50 173.3 173.3 17.980 107.380 92.569 -80.2 271.4 170.2 320 1334 C 10 H 3 A 0.910 89.410 20 78.9 -0.5 4.895E-04 3322676340.54687 264.50 174.4 174.4 17.980 107.390 92.578 -80.5 264.1 170.5 320 1334 C 10 H 3 A 0.920 89.420 20 79.0 0.3 4.635E-04 3322676345.14062 264.50 174.5 174.5 17.980 107.400 92.586 -80.2 262.2 170.2 320 1334 C 10 H 3 A 0.930 89.430 20 81.0 0.7 4.314E-04 3322676349.73437 264.50 176.5 176.5 17.980 107.410 92.595 -81.0 250.9 171.0 320 1334 C 10 H 3 A 0.940 89.440 20 86.2 0.9 4.050E-04 3322676354.31250 264.50 181.7 181.7 17.980 107.420 92.603 -81.4 216.6 171.4 320 1334 C 10 H 3 A 0.950 89.450 20 83.4 0.0 3.533E-04 3322676358.90625 264.50 178.9 178.9 17.980 107.430 92.612 -81.9 235.9 171.9 320 1334 C 10 H 3 A 0.960 89.460 20 84.6 -1.0 3.188E-04 3322676363.48437 264.50 180.1 180.1 17.980 107.440 92.621 -82.5 227.3 172.5 320 1334 C 10 H 3 A 0.970 89.470 20 87.0 -2.4 2.863E-04 3322676368.07812 264.50 182.5 182.5 17.980 107.450 92.629 -82.8 207.8 172.8 320 1334 C 10 H 3 A 0.980 89.480 20 83.8 -3.9 2.520E-04 3322676372.67187 264.50 179.3 179.3 17.980 107.460 92.638 -83.9 234.6 173.9 320 1334 C 10 H 3 A 0.990 89.490 20 82.1 -4.7 2.227E-04 3322676377.26562 264.50 177.6 177.6 17.980 107.470 92.647 -83.9 251.1 173.9 320 1334 C 10 H 3 A 1.000 89.500 20 80.7 -4.6 1.947E-04 3322676381.85937 264.50 176.2 176.2 17.980 107.480 92.655 -83.2 261.8 173.2 320 1334 C 10 H 3 A 1.010 89.510 20 75.9 -3.7 1.742E-04 3322676386.43750 264.50 171.4 171.4 17.980 107.490 92.664 -79.5 282.8 169.5 320 1334 C 10 H 3 A 1.020 89.520 20 75.1 -2.8 1.488E-04 3322676391.03125 264.50 170.6 170.6 17.980 107.500 92.672 -78.6 283.3 168.6 320 1334 C 10 H 3 A 1.030 89.530 20 89.8 0.5 1.286E-04 3322676395.62500 264.50 185.3 185.3 17.980 107.510 92.681 -80.2 195.2 170.2 320 1334 C 10 H 3 A 1.040 89.540 20 88.6 3.8 1.112E-04 3322676400.21875 264.50 184.1 184.1 17.980 107.520 92.690 -79.3 205.4 169.3 320 1334 C 10 H 3 A 1.050 89.550 20 107.9 8.9 9.953E-05 3322676404.81250 264.50 203.4 203.4 17.980 107.530 92.698 -63.5 165.4 153.5 320 1334 C 10 H 3 A 1.060 89.560 20 126.8 13.4 9.006E-05 3322676409.40625 264.50 222.3 222.3 17.980 107.540 92.707 -45.3 156.2 135.3 320 1334 C 10 H 3 A 1.070 89.570 20 148.8 16.3 8.518E-05 3322676413.98437 264.50 244.3 244.3 17.980 107.550 92.716 -23.9 150.9 113.9 320 1334 C 10 H 3 A 1.080 89.580 20 163.5 16.7 9.357E-05 3322676418.57812 264.50 259.0 259.0 17.980 107.560 92.724 -9.6 148.1 99.6 320 1334 C 10 H 3 A 1.090 89.590 20 182.6 18.6 7.817E-05 3322676423.17187 264.50 278.1 -81.9 17.980 107.570 92.733 9.3 146.5 80.8 320 1334 C 10 H 3 A 1.100 89.600 20 193.7 13.2 1.058E-04 3322676427.76562 264.50 289.2 -70.8 17.980 107.580 92.741 19.9 142.3 70.1 320 1334 C 10 H 3 A 1.110 89.610 20 203.0 11.1 1.277E-04 3322676432.35937 264.50 298.5 -61.5 17.980 107.590 92.750 28.9 140.0 61.1 320 1334 C 10 H 3 A 1.120 89.620 20 220.5 13.5 1.134E-04 3322676436.95312 264.50 316.0 -44.0 17.980 107.600 92.759 46.4 139.6 43.6 320 1334 C 10 H 3 A 1.130 89.630 20 234.7 12.7 1.465E-04 3322676441.51562 264.50 330.2 -29.8 17.980 107.610 92.767 60.4 137.0 29.6 320 1334 C 10 H 3 A 1.140 89.640 20 246.2 12.3 2.017E-04 3322676446.10937 264.50 341.7 -18.3 17.980 107.620 92.776 71.8 133.6 18.2 320 1334 C 10 H 3 A 1.150 89.650 20 249.5 12.3 2.694E-04 3322676450.68750 264.50 345.0 -15.0 17.980 107.630 92.784 75.0 132.2 15.0 320 1334 C 10 H 3 A 1.160 89.660 20 251.6 11.6 3.587E-04 3322676455.28125 264.50 347.1 -12.9 17.980 107.640 92.793 77.0 129.4 13.0 320 1334 C 10 H 3 A 1.170 89.670 20 254.6 11.4 4.438E-04 3322676459.87500 264.50 350.1 -9.9 17.980 107.650 92.802 79.9 125.8 10.1 320 1334 C 10 H 3 A 1.180 89.680 20 254.0 11.3 5.187E-04 3322676464.46875 264.50 349.5 -10.5 17.980 107.660 92.810 79.3 126.3 10.7 320 1334 C 10 H 3 A 1.190 89.690 20 250.5 10.7 6.077E-04 3322676469.06250 264.50 346.0 -14.0 17.980 107.670 92.819 75.9 128.3 14.1 320 1334 C 10 H 3 A 1.200 89.700 20 251.3 10.1 6.656E-04 3322676473.64062 264.50 346.8 -13.2 17.980 107.680 92.828 76.6 126.3 13.4 320 1334 C 10 H 3 A 1.210 89.710 20 250.1 9.1 7.079E-04 3322676478.23437 264.50 345.6 -14.4 17.980 107.690 92.836 75.3 125.5 14.7 320 1334 C 10 H 3 A 1.220 89.720 20 251.2 8.2 7.225E-04 3322676482.82812 264.50 346.7 -13.3 17.980 107.700 92.845 76.2 122.5 13.8 320 1334 C 10 H 3 A 1.230 89.730 20 250.7 7.5 7.275E-04 3322676487.42187 264.50 346.2 -13.8 17.980 107.710 92.853 75.6 121.7 14.4 320 1334 C 10 H 3 A 1.240 89.740 20 248.7 7.0 7.270E-04 3322676492.01562 264.50 344.2 -15.8 17.980 107.720 92.862 73.7 123.0 16.3 320 1334 C 10 H 3 A 1.250 89.750 20 250.1 6.7 7.002E-04 3322676496.60937 264.50 345.6 -14.4 17.980 107.730 92.871 74.9 120.9 15.1 320 1334 C 10 H 3 A 1.260 89.760 20 251.4 6.6 6.792E-04 3322676501.18750 264.50 346.9 -13.1 17.980 107.740 92.879 76.2 119.0 13.9 320 1334 C 10 H 3 A 1.270 89.770 20 250.9 7.0 6.519E-04 3322676505.78125 264.50 346.4 -13.6 17.980 107.750 92.888 75.8 120.5 14.3 320 1334 C 10 H 3 A 1.280 89.780 20 250.3 7.9 6.230E-04 3322676510.37500 264.50 345.8 -14.2 17.980 107.760 92.897 75.3 122.9 14.7 320 1334 C 10 H 3 A 1.290 89.790 20 252.6 9.1 5.833E-04 3322676514.96875 264.50 348.1 -11.9 17.980 107.770 92.905 77.7 122.6 12.3 320 1334 C 10 H 3 A 1.300 89.800 20 250.2 10.0 5.871E-04 3322676519.56250 264.50 345.7 -14.3 17.980 107.780 92.914 75.5 127.1 14.5 320 1334 C 10 H 3 A 1.310 89.810 20 247.7 11.3 5.722E-04 3322676524.15625 264.50 343.2 -16.8 17.980 107.790 92.922 73.2 131.3 16.8 320 1334 C 10 H 3 A 1.320 89.820 20 248.1 12.4 5.602E-04 3322676528.73437 264.50 343.6 -16.4 17.980 107.800 92.931 73.6 133.0 16.4 320 1334 C 10 H 3 A 1.330 89.830 20 248.2 12.7 5.597E-04 3322676533.32812 264.50 343.7 -16.3 17.980 107.810 92.940 73.8 133.6 16.3 320 1334 C 10 H 3 A 1.340 89.840 20 250.7 12.8 5.462E-04 3322676537.90625 264.50 346.2 -13.8 17.980 107.820 92.948 76.2 132.6 13.8 320 1334 C 10 H 3 A 1.350 89.850 20 249.3 12.1 5.587E-04 3322676542.50000 264.50 344.8 -15.2 17.980 107.830 92.957 74.8 131.9 15.2 320 1334 C 10 H 3 A 1.360 89.860 20 248.5 11.4 5.756E-04 3322676547.09375 264.50 344.0 -16.0 17.980 107.840 92.966 74.0 131.0 16.0 320 1334 C 10 H 3 A 1.370 89.870 20 249.2 10.5 5.921E-04 3322676551.68750 264.50 344.7 -15.3 17.980 107.850 92.974 74.6 128.9 15.4 320 1334 C 10 H 3 A 1.380 89.880 20 250.1 10.0 6.086E-04 3322676556.28125 264.50 345.6 -14.4 17.980 107.860 92.983 75.4 127.2 14.6 320 1334 C 10 H 3 A 1.390 89.890 20 251.4 9.9 6.305E-04 3322676560.85937 264.50 346.9 -13.1 17.980 107.870 92.991 76.6 125.8 13.4 320 1334 C 10 H 3 A 1.400 89.900 20 250.3 10.3 6.591E-04 3322676565.45312 264.50 345.8 -14.2 17.980 107.880 93.000 75.6 127.7 14.4 320 1334 C 10 H 3 A 1.410 89.910 20 253.7 10.9 6.846E-04 3322676570.04687 264.50 349.2 -10.8 17.980 107.890 93.009 79.0 125.6 11.0 320 1334 C 10 H 3 A 1.420 89.920 20 257.2 11.5 7.045E-04 3322676574.64062 264.50 352.7 -7.3 17.980 107.900 93.017 82.4 121.7 7.6 320 1334 C 10 H 3 A 1.430 89.930 20 253.7 12.4 7.374E-04 3322676579.23437 264.50 349.2 -10.8 17.980 107.910 93.026 79.2 129.6 10.9 320 1334 C 10 H 3 A 1.440 89.940 20 256.7 13.5 7.393E-04 3322676583.82812 264.50 352.2 -7.8 17.980 107.920 93.034 82.2 130.1 7.8 320 1334 C 10 H 4 A 0.060 90.060 20 263.9 2.0 2.282E-03 3322681392.29687 264.50 359.4 -0.6 17.980 108.040 93.138 83.0 52.9 7.0 320 1334 C 10 H 4 A 0.070 90.070 20 264.1 1.6 2.237E-03 3322681396.87500 264.50 359.6 -0.4 17.980 108.050 93.147 82.8 51.2 7.2 320 1334 C 10 H 4 A 0.080 90.080 20 263.8 1.3 2.128E-03 3322681401.46875 264.50 359.3 -0.7 17.980 108.060 93.155 82.6 53.5 7.4 320 1334 C 10 H 4 A 0.090 90.090 20 264.8 0.8 1.960E-03 3322681406.06250 264.50 0.3 0.3 17.980 108.070 93.164 82.4 45.8 7.6 320 1334 C 10 H 4 A 0.100 90.100 20 265.1 0.4 1.784E-03 3322681410.65625 264.50 0.6 0.6 17.980 108.080 93.172 82.2 43.6 7.8 320 1334 C 10 H 4 A 0.110 90.110 20 265.6 0.0 1.634E-03 3322681415.23437 264.50 1.1 1.1 17.980 108.090 93.181 81.9 40.2 8.1 320 1334 C 10 H 4 A 0.120 90.120 20 267.0 -0.4 1.455E-03 3322681419.82812 264.50 2.5 2.5 17.980 108.100 93.190 81.4 31.0 8.6 320 1334 C 10 H 4 A 0.130 90.130 20 268.4 -0.6 1.280E-03 3322681424.40625 264.50 3.9 3.9 17.980 108.110 93.198 80.8 22.8 9.2 320 1334 C 10 H 4 A 0.140 90.140 20 270.4 -0.9 1.100E-03 3322681429.00000 264.50 5.9 5.9 17.980 108.120 93.207 79.7 12.9 10.3 320 1334 C 10 H 4 A 0.150 90.150 20 275.6 -3.3 2.111E-04 3322681433.59375 264.50 11.1 11.1 17.980 108.130 93.216 75.3 358.7 14.7 320 1334 C 10 H 4 A 0.160 90.160 20 275.6 -0.1 7.782E-04 3322681438.18750 264.50 11.1 11.1 17.980 108.140 93.224 76.3 353.6 13.7 320 1334 C 10 H 4 A 0.170 90.170 20 279.6 1.4 6.397E-04 3322681442.76562 264.50 15.1 15.1 17.980 108.150 93.233 73.3 343.2 16.7 320 1334 C 10 H 4 A 0.180 90.180 20 280.1 4.2 5.374E-04 3322681447.35937 264.50 15.6 15.6 17.980 108.160 93.241 73.4 338.0 16.6 320 1334 C 10 H 4 A 0.190 90.190 20 280.6 8.3 4.437E-04 3322681451.95312 264.50 16.1 16.1 17.980 108.170 93.250 73.5 330.5 16.5 320 1334 C 10 H 4 A 0.200 90.200 20 281.2 12.3 3.972E-04 3322681456.54687 264.50 16.7 16.7 17.980 108.180 93.259 73.3 323.1 16.7 320 1334 C 10 H 4 A 0.210 90.210 20 272.7 14.7 3.852E-04 3322681461.14062 264.50 8.2 8.2 17.980 108.190 93.267 81.9 321.2 8.1 320 1334 C 10 H 4 A 0.220 90.220 20 266.4 15.3 4.092E-04 3322681465.73437 264.50 1.9 1.9 17.980 108.200 93.276 88.1 324.3 1.9 320 1334 C 10 H 4 A 0.230 90.230 20 257.0 13.8 4.662E-04 3322681470.31250 264.50 352.5 -7.5 17.980 108.210 93.284 82.5 130.9 7.5 320 1334 C 10 H 4 A 0.240 90.240 20 254.2 11.8 5.446E-04 3322681474.90625 264.50 349.7 -10.3 17.980 108.220 93.293 79.6 127.4 10.4 320 1334 C 10 H 4 A 0.250 90.250 20 251.4 10.5 6.076E-04 3322681479.48437 264.50 346.9 -13.1 17.980 108.230 93.302 76.7 127.1 13.3 320 1334 C 10 H 4 A 0.260 90.260 20 252.1 9.3 6.609E-04 3322681484.07812 264.50 347.6 -12.4 17.980 108.240 93.310 77.2 123.7 12.8 320 1334 C 10 H 4 A 0.270 90.270 20 252.3 8.5 7.069E-04 3322681488.67187 264.50 347.8 -12.2 17.980 108.250 93.319 77.3 121.7 12.7 320 1334 C 10 H 4 A 0.280 90.280 20 251.2 8.0 7.364E-04 3322681493.25000 264.50 346.7 -13.3 17.980 108.260 93.328 76.2 122.1 13.8 320 1334 C 10 H 4 A 0.290 90.290 20 252.8 7.4 7.644E-04 3322681497.84375 264.50 348.3 -11.7 17.980 108.270 93.336 77.6 118.5 12.4 320 1334 C 10 H 4 A 0.300 90.300 20 252.5 7.0 7.876E-04 3322681502.43750 264.50 348.0 -12.0 17.980 108.280 93.345 77.3 118.1 12.8 320 1334 C 10 H 4 A 0.310 90.310 20 254.3 6.7 8.013E-04 3322681507.01562 264.50 349.8 -10.2 17.980 108.290 93.353 78.8 114.0 11.2 320 1334 C 10 H 4 A 0.320 90.320 20 254.8 6.6 8.172E-04 3322681511.60937 264.50 350.3 -9.7 17.980 108.300 93.362 79.3 112.7 10.7 320 1334 C 10 H 4 A 0.330 90.330 20 255.8 6.6 8.461E-04 3322681516.20312 264.50 351.3 -8.7 17.980 108.310 93.371 80.2 110.1 9.8 320 1334 C 10 H 4 A 0.340 90.340 20 257.4 6.6 8.651E-04 3322681520.79687 264.50 352.9 -7.1 17.980 108.320 93.379 81.5 104.9 8.5 320 1334 C 10 H 4 A 0.350 90.350 20 257.3 6.7 9.073E-04 3322681525.39062 264.50 352.8 -7.2 17.980 108.330 93.388 81.5 105.5 8.5 320 1334 C 10 H 4 A 0.360 90.360 20 259.0 7.1 9.323E-04 3322681529.98437 264.50 354.5 -5.5 17.980 108.340 93.397 83.0 99.3 7.0 320 1334 C 10 H 4 A 0.370 90.370 20 259.9 7.2 9.670E-04 3322681534.56250 264.50 355.4 -4.6 17.980 108.350 93.405 83.7 94.5 6.3 320 1334 C 10 H 4 A 0.380 90.380 20 261.5 7.5 1.004E-03 3322681539.15625 264.50 357.0 -3.0 17.980 108.360 93.414 84.8 83.4 5.2 320 1334 C 10 H 4 A 0.390 90.390 20 261.8 8.0 1.023E-03 3322681543.73437 264.50 357.3 -2.7 17.980 108.370 93.422 85.2 82.2 4.8 320 1334 C 10 H 4 A 0.400 90.400 20 262.8 7.9 1.066E-03 3322681548.32812 264.50 358.3 -1.7 17.980 108.380 93.431 85.6 70.9 4.4 320 1334 C 10 H 4 A 0.410 90.410 20 263.6 7.9 1.092E-03 3322681552.92187 264.50 359.1 -0.9 17.980 108.390 93.440 85.9 60.6 4.1 320 1334 C 10 H 4 A 0.420 90.420 20 264.8 7.8 1.118E-03 3322681557.51562 264.50 0.3 0.3 17.980 108.400 93.448 85.9 43.8 4.1 320 1334 C 10 H 4 A 0.430 90.430 20 265.2 7.8 1.143E-03 3322681562.10937 264.50 0.7 0.7 17.980 108.410 93.457 85.9 38.3 4.1 320 1334 C 10 H 4 A 0.440 90.440 20 266.2 7.9 1.166E-03 3322681566.70312 264.50 1.7 1.7 17.980 108.420 93.466 85.6 25.2 4.4 320 1334 C 10 H 4 A 0.450 90.450 20 265.5 8.3 1.181E-03 3322681571.29687 264.50 1.0 1.0 17.980 108.430 93.474 86.0 33.4 4.0 320 1334 C 10 H 4 A 0.460 90.460 20 266.2 8.7 1.188E-03 3322681575.89062 264.50 1.7 1.7 17.980 108.440 93.483 86.0 22.9 4.0 320 1334 C 10 H 4 A 0.470 90.470 20 265.7 9.4 1.185E-03 3322681580.48437 264.50 1.2 1.2 17.980 108.450 93.491 86.5 27.9 3.5 320 1334 C 10 H 4 A 0.480 90.480 20 265.1 10.3 1.171E-03 3322681585.06250 264.50 0.6 0.6 17.980 108.460 93.500 87.1 36.0 2.9 320 1334 C 10 H 4 A 0.490 90.490 20 264.9 11.1 1.147E-03 3322681589.65625 264.50 0.4 0.4 17.980 108.470 93.509 87.6 38.6 2.4 320 1334 C 10 H 4 A 0.500 90.500 20 263.1 12.4 1.109E-03 3322681594.23437 264.50 358.6 -1.4 17.980 108.480 93.517 87.8 86.9 2.2 320 1334 C 10 H 4 A 0.510 90.510 20 263.0 14.0 1.050E-03 3322681598.81250 264.50 358.5 -1.5 17.980 108.490 93.526 88.3 107.1 1.7 320 1334 C 10 H 4 A 0.520 90.520 20 261.8 25.9 1.072E-03 3322681603.39062 264.50 357.3 -2.7 17.980 108.500 93.534 83.8 203.1 6.2 320 1334 C 10 H 4 A 0.530 90.530 20 260.3 17.1 9.498E-04 3322681607.98437 264.50 355.8 -4.2 17.980 108.510 93.543 85.8 148.5 4.2 320 1334 C 10 H 4 A 0.540 90.540 20 260.3 18.7 9.154E-04 3322681612.57812 264.50 355.8 -4.2 17.980 108.520 93.552 85.6 159.5 4.5 320 1334 C 10 H 4 A 0.550 90.550 20 257.9 19.8 9.149E-04 3322681617.17187 264.50 353.4 -6.6 17.980 108.530 93.560 83.1 157.2 6.9 320 1334 C 10 H 4 A 0.560 90.560 20 258.6 20.5 9.346E-04 3322681621.76562 264.50 354.1 -5.9 17.980 108.540 93.569 83.6 162.5 6.4 320 1334 C 10 H 4 A 0.570 90.570 20 259.3 20.7 9.775E-04 3322681626.35937 264.50 354.8 -5.2 17.980 108.550 93.578 84.2 166.2 5.8 320 1334 C 10 H 4 A 0.580 90.580 20 258.5 20.4 1.048E-03 3322681630.95312 264.50 354.0 -6.0 17.980 108.560 93.586 83.6 161.7 6.4 320 1334 C 10 H 4 A 0.590 90.590 20 261.6 19.7 1.121E-03 3322681635.53125 264.50 357.1 -2.9 17.980 108.570 93.595 86.4 175.2 3.6 320 1334 C 10 H 4 A 0.600 90.600 20 259.3 19.4 1.185E-03 3322681640.12500 264.50 354.8 -5.2 17.980 108.580 93.603 84.5 159.6 5.5 320 1334 C 10 H 4 A 0.610 90.610 20 260.0 18.7 1.252E-03 3322681644.71875 264.50 355.5 -4.5 17.980 108.590 93.612 85.3 158.2 4.7 320 1334 C 10 H 4 A 0.620 90.620 20 260.8 18.4 1.273E-03 3322681649.29687 264.50 356.3 -3.7 17.980 108.600 93.621 86.1 159.8 3.9 320 1334 C 10 H 4 A 0.630 90.630 20 260.5 18.2 1.266E-03 3322681653.89062 264.50 356.0 -4.0 17.980 108.610 93.629 85.8 157.0 4.2 320 1334 C 10 H 4 A 0.640 90.640 20 260.7 18.0 1.225E-03 3322681658.48437 264.50 356.2 -3.8 17.980 108.620 93.638 86.1 156.4 4.0 320 1334 C 10 H 4 A 0.650 90.650 20 260.8 17.9 1.143E-03 3322681663.07812 264.50 356.3 -3.7 17.980 108.630 93.647 86.2 156.1 3.8 320 1334 C 10 H 4 A 0.660 90.660 20 261.3 17.6 1.039E-03 3322681667.67187 264.50 356.8 -3.2 17.980 108.640 93.655 86.7 156.0 3.3 320 1334 C 10 H 4 A 0.670 90.670 20 259.7 16.7 9.417E-04 3322681672.26562 264.50 355.2 -4.8 17.980 108.650 93.664 85.2 144.8 4.8 320 1334 C 10 H 4 A 0.680 90.680 20 260.6 16.2 8.002E-04 3322681676.84375 264.50 356.1 -3.9 17.980 108.660 93.672 86.1 142.2 3.9 320 1334 C 10 H 4 A 0.690 90.690 20 260.2 15.8 6.655E-04 3322681681.43750 264.50 355.7 -4.3 17.980 108.670 93.681 85.7 139.0 4.3 320 1334 C 10 H 4 A 0.700 90.700 20 259.2 16.3 5.102E-04 3322681686.03125 264.50 354.7 -5.3 17.980 108.680 93.690 84.7 141.9 5.3 320 1334 C 10 H 4 A 0.710 90.710 20 255.4 17.3 3.632E-04 3322681690.60937 264.50 350.9 -9.1 17.980 108.690 93.698 81.0 144.1 9.0 320 1334 C 10 H 4 A 0.720 90.720 20 251.5 22.1 2.039E-04 3322681695.18750 264.50 347.0 -13.0 17.980 108.700 93.707 76.7 154.3 13.3 320 1334 C 10 H 4 A 0.730 90.730 20 91.8 4.0 7.126E-04 3322681699.78125 264.50 187.3 187.3 17.980 108.710 93.716 -77.6 191.7 167.6 320 1334 C 10 H 4 A 0.740 90.740 20 98.3 15.3 1.095E-04 3322681704.37500 264.50 193.8 193.8 17.980 108.720 93.724 -69.1 186.6 159.1 320 1334 C 10 H 4 A 0.750 90.750 20 88.1 3.5 2.432E-04 3322681708.96875 264.50 183.6 183.6 17.980 108.730 93.733 -79.6 207.7 169.6 320 1334 C 10 H 4 A 0.760 90.760 20 87.2 1.6 3.565E-04 3322681713.56250 264.50 182.7 182.7 17.980 108.740 93.741 -80.8 210.9 170.8 320 1334 C 10 H 4 A 0.770 90.770 20 89.8 1.7 4.402E-04 3322681718.15625 264.50 185.3 185.3 17.980 108.750 93.750 -79.7 197.0 169.7 320 1334 C 10 H 4 A 0.780 90.780 20 87.2 2.3 4.876E-04 3322681722.73437 264.50 182.7 182.7 17.980 108.760 93.759 -80.5 211.5 170.5 320 1334 C 10 H 4 A 0.790 90.790 20 91.2 3.6 5.029E-04 3322681727.32812 264.50 186.7 186.7 17.980 108.770 93.767 -78.1 193.5 168.1 320 1334 C 10 H 4 A 0.800 90.800 20 87.5 5.0 4.789E-04 3322681731.92187 264.50 183.0 183.0 17.980 108.780 93.776 -79.1 212.0 169.1 320 1334 C 10 H 4 A 0.810 90.810 20 86.7 6.4 4.622E-04 3322681736.51562 264.50 182.2 182.2 17.980 108.790 93.784 -78.6 216.9 168.6 320 1334 C 10 H 4 A 0.820 90.820 20 91.8 8.3 4.061E-04 3322681741.10937 264.50 187.3 187.3 17.980 108.800 93.793 -75.8 196.9 165.8 320 1334 C 10 H 4 A 0.830 90.830 20 86.6 9.8 3.624E-04 3322681745.70312 264.50 182.1 182.1 17.980 108.810 93.802 -76.9 218.8 166.9 320 1334 C 10 H 4 A 0.840 90.840 20 89.9 11.2 3.223E-04 3322681750.28125 264.50 185.4 185.4 17.980 108.820 93.810 -75.3 206.3 165.3 320 1334 C 10 H 4 A 0.850 90.850 20 94.7 13.9 2.777E-04 3322681754.87500 264.50 190.2 190.2 17.980 108.830 93.819 -71.8 193.7 161.8 320 1334 C 10 H 4 A 0.860 90.860 20 97.2 15.7 2.543E-04 3322681759.46875 264.50 192.7 192.7 17.980 108.840 93.828 -69.6 189.4 159.6 320 1334 C 10 H 4 A 0.870 90.870 20 100.0 18.0 2.400E-04 3322681764.04687 264.50 195.5 195.5 17.980 108.850 93.836 -66.9 185.9 156.9 320 1334 C 10 H 4 A 0.880 90.880 20 109.4 20.4 2.378E-04 3322681768.64062 264.50 204.9 204.9 17.980 108.860 93.845 -59.1 174.4 149.1 320 1334 C 10 H 4 A 0.890 90.890 20 111.3 22.9 2.370E-04 3322681773.23437 264.50 206.8 206.8 17.980 108.870 93.853 -56.7 174.5 146.7 320 1334 C 10 H 4 A 0.900 90.900 20 108.0 26.1 2.326E-04 3322681777.81250 264.50 203.5 203.5 17.980 108.880 93.862 -58.1 180.9 148.1 320 1334 C 10 H 4 A 0.910 90.910 20 115.7 27.6 2.492E-04 3322681782.40625 264.50 211.2 211.2 17.980 108.890 93.871 -51.7 174.1 141.7 320 1334 C 10 H 4 A 0.920 90.920 20 117.4 30.2 2.578E-04 3322681787.00000 264.50 212.9 212.9 17.980 108.900 93.879 -49.4 174.7 139.4 320 1334 C 10 H 4 A 0.930 90.930 20 115.2 32.7 2.643E-04 3322681791.59375 264.50 210.7 210.7 17.980 108.910 93.888 -50.2 178.6 140.2 320 1334 C 10 H 4 A 0.940 90.940 20 117.1 33.2 2.797E-04 3322681796.18750 264.50 212.6 212.6 17.980 108.920 93.897 -48.6 177.3 138.6 320 1334 C 10 H 4 A 0.950 90.950 20 114.8 34.9 2.783E-04 3322681800.78125 264.50 210.3 210.3 17.980 108.930 93.905 -49.6 180.7 139.6 320 1334 C 10 H 4 A 0.960 90.960 20 110.5 35.2 2.817E-04 3322681805.35937 264.50 206.0 206.0 17.980 108.940 93.914 -52.5 185.3 142.5 320 1334 C 10 H 4 A 0.970 90.970 20 108.5 36.5 2.705E-04 3322681809.95312 264.50 204.0 204.0 17.980 108.950 93.922 -53.1 188.5 143.1 320 1334 C 10 H 4 A 0.980 90.980 20 113.6 34.6 2.821E-04 3322681814.54687 264.50 209.1 209.1 17.980 108.960 93.931 -50.6 181.6 140.6 320 1334 C 10 H 4 A 0.990 90.990 20 109.2 34.7 2.701E-04 3322681819.14062 264.50 204.7 204.7 17.980 108.970 93.940 -53.6 186.3 143.6 320 1334 C 10 H 4 A 1.000 91.000 20 115.2 33.3 2.706E-04 3322681823.71875 264.50 210.7 210.7 17.980 108.980 93.948 -50.0 179.1 140.0 320 1334 C 10 H 4 A 1.010 91.010 20 103.7 34.5 2.452E-04 3322681828.31250 264.50 199.2 199.2 17.980 108.990 93.957 -57.1 193.1 147.1 320 1334 C 10 H 4 A 1.020 91.020 20 100.7 34.1 2.298E-04 3322681832.89062 264.50 196.2 196.2 17.980 109.000 93.966 -58.9 197.3 148.9 320 1334 C 10 H 4 A 1.030 91.030 20 104.0 34.2 2.160E-04 3322681837.48437 264.50 199.5 199.5 17.980 109.010 93.974 -57.0 192.5 147.0 320 1334 C 10 H 4 A 1.040 91.040 20 105.0 33.4 2.102E-04 3322681842.07812 264.50 200.5 200.5 17.980 109.020 93.983 -56.9 190.6 146.9 320 1334 C 10 H 4 A 1.050 91.050 20 105.8 31.1 2.157E-04 3322681846.67187 264.50 201.3 201.3 17.980 109.030 93.991 -57.5 187.7 147.5 320 1334 C 10 H 4 A 1.060 91.060 20 105.0 27.2 2.379E-04 3322681851.26562 264.50 200.5 200.5 17.980 109.040 94.000 -59.7 185.7 149.7 320 1334 C 10 H 4 A 1.070 91.070 20 109.2 22.1 2.945E-04 3322681855.84375 264.50 204.7 204.7 17.980 109.050 94.009 -58.7 176.1 148.7 320 1334 C 10 H 4 A 1.080 91.080 20 105.2 18.8 3.484E-04 3322681860.43750 264.50 200.7 200.7 17.980 109.060 94.017 -62.9 178.2 152.9 320 1334 C 10 H 4 A 1.090 91.090 20 98.3 15.4 4.117E-04 3322681865.03125 264.50 193.8 193.8 17.980 109.070 94.026 -69.0 186.7 159.0 320 1334 C 10 H 4 A 1.100 91.100 20 99.1 12.9 4.726E-04 3322681869.62500 264.50 194.6 194.6 17.980 109.080 94.034 -69.4 182.6 159.4 320 1334 C 10 H 4 A 1.110 91.110 20 95.7 10.5 5.352E-04 3322681874.21875 264.50 191.2 191.2 17.980 109.090 94.043 -72.6 187.6 162.6 320 1334 C 10 H 4 A 1.120 91.120 20 92.3 8.7 5.816E-04 3322681878.81250 264.50 187.8 187.8 17.980 109.100 94.052 -75.4 195.6 165.4 320 1334 C 10 H 4 A 1.130 91.130 20 90.3 7.6 5.979E-04 3322681883.40625 264.50 185.8 185.8 17.980 109.110 94.060 -76.8 201.7 166.8 320 1334 C 10 H 4 A 1.140 91.140 20 90.9 6.9 5.961E-04 3322681888.00000 264.50 186.4 186.4 17.980 109.120 94.069 -76.9 198.7 166.9 320 1334 C 10 H 4 A 1.150 91.150 20 89.6 6.5 5.849E-04 3322681892.59375 264.50 185.1 185.1 17.980 109.130 94.078 -77.6 203.5 167.6 320 1334 C 10 H 4 A 1.160 91.160 20 88.3 6.6 5.550E-04 3322681897.18750 264.50 183.8 183.8 17.980 109.140 94.086 -78.1 209.4 168.1 320 1334 C 10 H 4 A 1.170 91.170 20 86.8 7.2 5.258E-04 3322681901.76562 264.50 182.3 182.3 17.980 109.150 94.095 -78.2 216.8 168.2 320 1334 C 10 H 4 A 1.180 91.180 20 88.6 8.6 4.824E-04 3322681906.35937 264.50 184.1 184.1 17.980 109.160 94.103 -77.0 209.5 167.0 320 1334 C 10 H 4 A 1.190 91.190 20 89.6 10.8 4.280E-04 3322681910.93750 264.50 185.1 185.1 17.980 109.170 94.112 -75.6 207.2 165.6 320 1334 C 10 H 4 A 1.200 91.200 20 85.8 13.2 3.743E-04 3322681915.53125 264.50 181.3 181.3 17.980 109.180 94.121 -75.3 223.0 165.3 320 1334 C 10 H 4 A 1.210 91.210 20 90.4 16.7 3.209E-04 3322681920.10937 264.50 185.9 185.9 17.980 109.190 94.129 -72.5 208.3 162.5 320 1334 C 10 H 4 A 1.220 91.220 20 91.5 21.5 2.647E-04 3322681924.68750 264.50 187.0 187.0 17.980 109.200 94.138 -69.6 207.9 159.6 320 1334 C 10 H 4 A 1.230 91.230 20 97.9 25.6 2.266E-04 3322681929.28125 264.50 193.4 193.4 17.980 109.210 94.147 -64.7 196.2 154.7 320 1334 C 10 H 4 A 1.240 91.240 20 102.4 31.6 1.830E-04 3322681933.87500 264.50 197.9 197.9 17.980 109.220 94.155 -59.3 192.9 149.3 320 1334 C 10 H 4 A 1.250 91.250 20 100.3 36.2 1.523E-04 3322681938.45312 264.50 195.8 195.8 17.980 109.230 94.164 -57.9 199.3 147.9 320 1334 C 10 H 4 A 1.260 91.260 20 91.1 40.1 1.320E-04 3322681943.04687 264.50 186.6 186.6 17.980 109.240 94.172 -58.5 216.3 148.5 320 1334 C 10 H 4 A 1.270 91.270 20 98.9 39.0 1.247E-04 3322681947.64062 264.50 194.4 194.4 17.980 109.250 94.181 -56.8 203.1 146.8 320 1334 C 10 H 4 A 1.280 91.280 20 98.1 34.9 1.309E-04 3322681952.23437 264.50 193.6 193.6 17.980 109.260 94.190 -59.7 202.0 149.7 320 1334 C 10 H 4 A 1.290 91.290 20 88.0 30.3 1.349E-04 3322681956.82812 264.50 183.5 183.5 17.980 109.270 94.198 -65.5 219.9 155.5 320 1334 C 10 H 4 A 1.300 91.300 20 96.6 28.3 1.416E-04 3322681961.40625 264.50 192.1 192.1 17.980 109.280 94.207 -64.0 200.5 154.0 320 1334 C 10 H 4 A 1.310 91.310 20 95.0 25.1 1.653E-04 3322681966.00000 264.50 190.5 190.5 17.980 109.290 94.216 -66.4 201.7 156.4 320 1334 C 10 H 4 A 1.320 91.320 20 97.3 24.4 1.844E-04 3322681970.59375 264.50 192.8 192.8 17.980 109.300 94.224 -65.6 196.4 155.6 320 1334 C 10 H 4 A 1.330 91.330 20 99.4 25.4 1.970E-04 3322681975.18750 264.50 194.9 194.9 17.980 109.310 94.233 -64.0 193.2 154.0 320 1334 C 10 H 4 A 1.340 91.340 20 102.4 25.0 2.177E-04 3322681979.78125 264.50 197.9 197.9 17.980 109.320 94.241 -62.4 187.8 152.4 320 1334 C 10 H 4 A 1.350 91.350 20 105.7 27.3 2.273E-04 3322681984.35937 264.50 201.2 201.2 17.980 109.330 94.250 -59.2 184.8 149.2 320 1334 C 10 H 4 A 1.360 91.360 20 109.5 29.0 2.399E-04 3322681988.95312 264.50 205.0 205.0 17.980 109.340 94.259 -55.9 181.5 145.9 320 1334 C 10 H 4 A 1.370 91.370 20 109.6 32.7 2.344E-04 3322681993.54687 264.50 205.1 205.1 17.980 109.350 94.267 -54.2 184.3 144.2 320 1334 C 10 H 4 A 1.380 91.380 20 117.1 33.8 2.455E-04 3322681998.12500 264.50 212.6 212.6 17.980 109.360 94.276 -48.3 177.8 138.3 320 1334 C 10 H 4 A 1.390 91.390 20 114.5 36.8 2.393E-04 3322682002.71875 264.50 210.0 210.0 17.980 109.370 94.284 -49.0 182.5 139.0 320 1334 C 10 H 4 A 1.400 91.400 20 114.1 40.0 2.295E-04 3322682007.31250 264.50 209.6 209.6 17.980 109.380 94.293 -47.7 185.4 137.7 320 1334 C 10 H 4 A 1.410 91.410 20 112.5 43.9 2.147E-04 3322682011.90625 264.50 208.0 208.0 17.980 109.390 94.302 -46.7 190.0 136.7 320 1334 C 10 H 4 A 1.420 91.420 20 102.0 46.6 2.000E-04 3322682016.48437 264.50 197.5 197.5 17.980 109.400 94.310 -50.3 203.4 140.3 320 1334 C 10 H 4 A 1.430 91.430 20 111.9 45.6 2.021E-04 3322682021.07812 264.50 207.4 207.4 17.980 109.410 94.319 -46.0 191.8 136.0 320 1334 C 10 H 4 A 1.440 91.440 20 103.5 42.4 2.121E-04 3322682025.67187 264.50 199.0 199.0 17.980 109.420 94.328 -52.6 198.9 142.6 320 1334 C 10 H 5 A 0.075 91.575 20 110.2 11.3 8.476E-04 3322687965.07812 264.50 205.7 205.7 17.980 109.555 94.444 -60.9 165.4 150.9 320 1334 C 10 H 5 A 0.100 91.600 20 116.4 14.7 6.961E-04 3322687970.01562 264.50 211.9 211.9 17.980 109.580 94.466 -54.6 163.2 144.6 320 1334 C 10 H 5 A 0.125 91.625 20 119.1 15.8 5.818E-04 3322687974.95312 264.50 214.6 214.6 17.980 109.605 94.487 -52.0 162.2 142.0 320 1334 C 10 H 5 A 0.150 91.650 20 115.8 16.6 4.924E-04 3322687979.87500 264.50 211.3 211.3 17.980 109.630 94.509 -54.7 165.2 144.7 320 1334 C 10 H 5 A 0.175 91.675 20 110.6 16.0 4.394E-04 3322687984.81250 264.50 206.1 206.1 17.980 109.655 94.530 -59.4 169.3 149.4 320 1334 C 10 H 5 A 0.200 91.700 20 100.8 15.6 3.935E-04 3322687989.75000 264.50 196.3 196.3 17.980 109.680 94.552 -67.2 182.1 157.2 320 1334 C 10 H 5 A 0.225 91.725 20 106.6 16.1 3.398E-04 3322687994.67187 264.50 202.1 202.1 17.980 109.705 94.573 -62.7 173.9 152.7 320 1334 C 10 H 5 A 0.250 91.750 20 110.2 19.0 2.773E-04 3322687999.60937 264.50 205.7 205.7 17.980 109.730 94.595 -58.8 172.3 148.8 320 1334 C 10 H 5 A 0.275 91.775 20 119.6 27.4 1.922E-04 3322688004.53125 264.50 215.1 215.1 17.980 109.755 94.616 -48.5 170.8 138.5 320 1334 C 10 H 5 A 0.300 91.800 20 127.6 39.8 1.332E-04 3322688009.46875 264.50 223.1 223.1 17.980 109.780 94.638 -37.9 175.0 127.9 320 1334 C 10 H 5 A 0.325 91.825 20 154.4 47.0 1.120E-04 3322688014.40625 264.50 249.9 249.9 17.980 109.805 94.659 -13.5 169.7 103.5 320 1334 C 10 H 5 A 0.350 91.850 20 179.6 48.7 1.086E-04 3322688019.32812 264.50 275.1 -84.9 17.980 109.830 94.681 8.4 167.0 81.6 320 1334 C 10 H 5 A 0.375 91.875 20 188.5 43.7 1.280E-04 3322688024.26562 264.50 284.0 -76.0 17.980 109.855 94.703 16.0 162.4 74.0 320 1334 C 10 H 5 A 0.400 91.900 20 183.0 43.8 1.361E-04 3322688029.18750 264.50 278.5 -81.5 17.980 109.880 94.724 11.1 162.7 78.9 320 1334 C 10 H 5 A 0.425 91.925 20 149.0 28.6 1.936E-04 3322688034.12500 264.50 244.5 244.5 17.980 109.905 94.746 -22.0 158.1 112.0 320 1334 C 10 H 5 A 0.450 91.950 20 123.9 14.1 3.190E-04 3322688039.04687 264.50 219.4 219.4 17.980 109.930 94.767 -47.9 158.1 137.9 320 1334 C 10 H 5 A 0.475 91.975 20 107.6 3.2 6.170E-04 3322688043.98437 264.50 203.1 203.1 17.980 109.955 94.789 -65.0 159.7 155.0 320 1334 C 10 H 5 A 0.500 92.000 20 101.4 -1.2 1.281E-03 3322688048.92187 264.50 196.9 196.9 17.980 109.980 94.810 -71.6 160.9 161.6 320 1334 C 10 H 5 A 0.525 92.025 20 100.8 -2.9 1.450E-03 3322688053.85937 264.50 196.3 196.3 17.980 110.005 94.832 -72.5 159.2 162.5 320 1334 C 10 H 5 A 0.550 92.050 20 100.2 -2.6 1.652E-03 3322688058.78125 264.50 195.7 195.7 17.980 110.030 94.853 -73.0 160.4 163.0 320 1334 C 10 H 5 A 0.575 92.075 20 100.0 -1.5 1.579E-03 3322688063.71875 264.50 195.5 195.5 17.980 110.055 94.875 -72.9 162.4 162.9 320 1334 C 10 H 5 A 0.600 92.100 20 102.5 0.2 1.341E-03 3322688068.65625 264.50 198.0 198.0 17.980 110.080 94.897 -70.3 161.5 160.3 320 1334 C 10 H 5 A 0.625 92.125 20 105.0 1.1 1.030E-03 3322688073.57812 264.50 200.5 200.5 17.980 110.105 94.918 -67.9 159.8 157.9 320 1334 C 10 H 5 A 0.650 92.150 20 105.9 0.6 8.001E-04 3322688078.51562 264.50 201.4 201.4 17.980 110.130 94.940 -67.1 158.3 157.1 320 1334 C 10 H 5 A 0.675 92.175 20 101.9 -1.0 6.555E-04 3322688083.43750 264.50 197.4 197.4 17.980 110.155 94.961 -71.1 160.6 161.1 320 1334 C 10 H 5 A 0.700 92.200 20 100.2 -2.8 6.069E-04 3322688088.37500 264.50 195.7 195.7 17.980 110.180 94.983 -73.0 160.1 163.0 320 1334 C 10 H 5 A 0.725 92.225 20 100.3 -3.4 5.750E-04 3322688093.29687 264.50 195.8 195.8 17.980 110.205 95.004 -73.1 159.0 163.1 320 1334 C 10 H 5 A 0.750 92.250 20 102.6 -1.7 5.331E-04 3322688098.23437 264.50 198.1 198.1 17.980 110.230 95.026 -70.6 158.8 160.6 320 1334 C 10 H 5 A 0.775 92.275 20 106.3 1.4 4.666E-04 3322688103.17187 264.50 201.8 201.8 17.980 110.255 95.047 -66.6 158.9 156.6 320 1334 C 10 H 5 A 0.800 92.300 20 114.6 7.0 4.158E-04 3322688108.10937 264.50 210.1 210.1 17.980 110.280 95.069 -57.8 157.9 147.8 320 1334 C 10 H 5 A 0.825 92.325 20 120.0 12.9 3.475E-04 3322688113.03125 264.50 215.5 215.5 17.980 110.305 95.091 -51.7 159.4 141.7 320 1334 C 10 H 5 A 0.850 92.350 20 131.0 24.0 2.419E-04 3322688117.96875 264.50 226.5 226.5 17.980 110.330 95.112 -39.4 161.6 129.4 320 1334 C 10 H 5 A 0.875 92.375 20 149.8 36.5 1.887E-04 3322688122.90625 264.50 245.3 245.3 17.980 110.355 95.134 -19.9 163.1 109.9 320 1334 C 10 H 5 A 0.900 92.400 20 254.1 20.5 4.026E-04 3322688127.82812 264.50 349.6 -10.4 17.980 110.380 95.155 79.4 153.0 10.6 320 1334 C 10 H 5 A 0.925 92.425 20 202.1 66.4 1.792E-04 3322688132.76562 264.50 297.6 -62.4 17.980 110.405 95.177 24.0 188.4 66.0 320 1334 C 10 H 5 A 0.950 92.450 20 200.6 66.1 1.760E-04 3322688137.68750 264.50 296.1 -63.9 17.980 110.430 95.198 23.2 187.7 66.9 320 1334 C 10 H 5 A 0.975 92.475 20 164.4 56.0 1.709E-04 3322688142.62500 264.50 259.9 259.9 17.980 110.455 95.220 -3.3 175.6 93.3 320 1334 C 10 H 5 A 1.000 92.500 20 112.5 38.4 1.975E-04 3322688147.54687 264.50 208.0 208.0 17.980 110.480 95.241 -49.6 185.7 139.6 320 1334 C 10 H 5 A 1.025 92.525 20 108.3 18.8 2.944E-04 3322688152.48437 264.50 203.8 203.8 17.980 110.505 95.263 -60.4 174.3 150.4 320 1334 C 10 H 5 A 1.050 92.550 20 113.0 9.5 4.851E-04 3322688157.40625 264.50 208.5 208.5 17.980 110.530 95.284 -58.8 161.3 148.8 320 1334 C 10 H 5 A 1.075 92.575 20 116.8 7.0 7.490E-04 3322688162.34375 264.50 212.3 212.3 17.980 110.555 95.306 -55.8 156.5 145.8 320 1334 C 10 H 5 A 1.100 92.600 20 107.6 5.2 1.262E-03 3322688167.28125 264.50 203.1 203.1 17.980 110.580 95.328 -64.6 161.8 154.6 320 1334 C 10 H 5 A 1.125 92.625 20 108.4 6.6 1.177E-03 3322688172.20312 264.50 203.9 203.9 17.980 110.605 95.349 -63.6 162.5 153.6 320 1334 C 10 H 5 A 1.150 92.650 20 104.0 6.1 1.230E-03 3322688177.14062 264.50 199.5 199.5 17.980 110.630 95.371 -67.6 166.9 157.6 320 1334 C 10 H 5 A 1.175 92.675 20 100.9 4.6 1.239E-03 3322688182.07812 264.50 196.4 196.4 17.980 110.655 95.392 -70.7 169.6 160.7 320 1334 C 10 H 5 A 1.200 92.700 20 100.8 4.4 1.206E-03 3322688187.00000 264.50 196.3 196.3 17.980 110.680 95.414 -70.8 169.5 160.8 320 1334 C 10 H 5 A 1.225 92.725 20 100.2 5.9 1.086E-03 3322688191.93750 264.50 195.7 195.7 17.980 110.705 95.435 -70.9 172.4 160.9 320 1334 C 10 H 5 A 1.250 92.750 20 101.8 7.8 9.505E-04 3322688196.85937 264.50 197.3 197.3 17.980 110.730 95.457 -69.0 172.0 159.0 320 1334 C 10 H 5 A 1.275 92.775 20 107.6 8.0 8.588E-04 3322688201.79687 264.50 203.1 203.1 17.980 110.755 95.478 -64.0 164.8 154.0 320 1334 C 10 H 5 A 1.300 92.800 20 107.1 6.6 8.218E-04 3322688206.73437 264.50 202.6 202.6 17.980 110.780 95.500 -64.8 163.8 154.8 320 1334 C 10 H 5 A 1.325 92.825 20 104.0 5.4 7.772E-04 3322688211.65625 264.50 199.5 199.5 17.980 110.805 95.522 -67.8 166.1 157.8 320 1334 C 10 H 5 A 1.350 92.850 20 101.5 5.5 7.428E-04 3322688216.59375 264.50 197.0 197.0 17.980 110.830 95.543 -69.9 169.8 159.9 320 1334 C 10 H 5 A 1.375 92.875 20 103.8 4.5 7.376E-04 3322688221.53125 264.50 199.3 199.3 17.980 110.855 95.565 -68.2 165.3 158.2 320 1334 C 10 H 5 A 1.400 92.900 20 107.3 2.1 7.596E-04 3322688226.46875 264.50 202.8 202.8 17.980 110.880 95.586 -65.5 158.7 155.5 320 1334 C 10 H 5 A 1.425 92.925 20 105.9 0.6 7.843E-04 3322688231.39062 264.50 201.4 201.4 17.980 110.905 95.608 -67.1 158.3 157.1 320 1334 C 10 H 6 A 0.075 93.075 20 103.4 -0.8 5.270E-04 3322689139.57812 264.50 198.9 198.9 17.980 111.055 95.737 -69.7 159.1 159.7 320 1334 C 10 H 6 A 0.100 93.100 20 103.2 -3.7 5.541E-04 3322689144.51562 264.50 198.7 198.7 17.980 111.080 95.759 -70.4 155.3 160.4 320 1334 C 10 H 6 A 0.125 93.125 20 106.9 -3.1 5.588E-04 3322689149.43750 264.50 202.4 202.4 17.980 111.105 95.780 -66.8 153.0 156.8 320 1334 C 10 H 6 A 0.150 93.150 20 114.6 -1.1 5.240E-04 3322689154.37500 264.50 210.1 210.1 17.980 111.130 95.802 -59.1 150.5 149.1 320 1334 C 10 H 6 A 0.175 93.175 20 123.8 -0.7 4.668E-04 3322689159.29687 264.50 219.3 219.3 17.980 111.155 95.823 -50.1 147.1 140.1 320 1334 C 10 H 6 A 0.200 93.200 20 127.2 -1.4 3.317E-04 3322689164.23437 264.50 222.7 222.7 17.980 111.180 95.845 -46.8 145.6 136.8 320 1334 C 10 H 6 A 0.225 93.225 20 132.8 3.5 2.450E-04 3322689169.15625 264.50 228.3 228.3 17.980 111.205 95.866 -40.9 147.4 130.9 320 1334 C 10 H 6 A 0.250 93.250 20 127.0 14.6 1.851E-04 3322689174.09375 264.50 222.5 222.5 17.980 111.230 95.888 -44.9 157.0 134.9 320 1334 C 10 H 6 A 0.275 93.275 20 131.4 24.5 1.857E-04 3322689179.03125 264.50 226.9 226.9 17.980 111.255 95.909 -39.0 161.7 129.0 320 1334 C 10 H 6 A 0.300 93.300 20 134.3 37.7 1.647E-04 3322689183.95312 264.50 229.8 229.8 17.980 111.280 95.931 -33.1 169.8 123.1 320 1334 C 10 H 6 A 0.325 93.325 20 147.8 46.6 1.785E-04 3322689188.89062 264.50 243.3 243.3 17.980 111.305 95.953 -19.2 171.3 109.2 320 1334 C 10 H 6 A 0.350 93.350 20 148.5 52.9 1.934E-04 3322689193.82812 264.50 244.0 244.0 17.980 111.330 95.974 -16.6 176.6 106.6 320 1334 C 10 H 6 A 0.375 93.375 20 149.8 44.5 2.395E-04 3322689198.75000 264.50 245.3 245.3 17.980 111.355 95.996 -18.1 169.0 108.1 320 1334 C 10 H 6 A 0.400 93.400 20 141.5 34.4 2.690E-04 3322689203.68750 264.50 237.0 237.0 17.980 111.380 96.017 -27.7 164.3 117.7 320 1334 C 10 H 6 A 0.425 93.425 20 132.2 18.1 3.232E-04 3322689208.62500 264.50 227.7 227.7 17.980 111.405 96.039 -39.4 157.1 129.4 320 1334 C 10 H 6 A 0.450 93.450 20 118.4 5.7 3.846E-04 3322689213.54687 264.50 213.9 213.9 17.980 111.430 96.060 -54.5 154.5 144.5 320 1334 C 10 H 6 A 0.475 93.475 20 105.7 -3.4 5.379E-04 3322689218.48437 264.50 201.2 201.2 17.980 111.455 96.082 -68.0 153.5 158.0 320 1334 C 10 H 6 A 0.500 93.500 20 103.8 -5.5 7.285E-04 3322689223.40625 264.50 199.3 199.3 17.980 111.480 96.103 -70.1 152.2 160.1 320 1334 C 10 H 6 A 0.525 93.525 20 101.2 -3.2 1.188E-03 3322689228.34375 264.50 196.7 196.7 17.980 111.505 96.125 -72.2 158.2 162.2 320 1334 C 10 H 6 A 0.550 93.550 20 106.8 -1.9 1.029E-03 3322689233.28125 264.50 202.3 202.3 17.980 111.530 96.147 -66.7 154.5 156.7 320 1334 C 10 H 6 A 0.575 93.575 20 107.1 0.5 9.604E-04 3322689238.20312 264.50 202.6 202.6 17.980 111.555 96.168 -66.0 157.1 156.0 320 1334 C 10 H 6 A 0.600 93.600 20 109.8 2.6 8.094E-04 3322689243.14062 264.50 205.3 205.3 17.980 111.580 96.190 -63.1 157.2 153.1 320 1334 C 10 H 6 A 0.625 93.625 20 114.3 4.1 6.550E-04 3322689248.06250 264.50 209.8 209.8 17.980 111.605 96.211 -58.6 155.5 148.6 320 1334 C 10 H 6 A 0.650 93.650 20 116.6 5.6 5.283E-04 3322689253.00000 264.50 212.1 212.1 17.980 111.630 96.233 -56.2 155.4 146.2 320 1334 C 10 H 6 A 0.675 93.675 20 114.5 7.8 4.201E-04 3322689257.93750 264.50 210.0 210.0 17.980 111.655 96.254 -57.8 158.7 147.8 320 1334 C 10 H 6 A 0.700 93.700 20 114.2 8.8 3.833E-04 3322689262.85937 264.50 209.7 209.7 17.980 111.680 96.276 -57.9 159.8 147.9 320 1334 C 10 H 6 A 0.725 93.725 20 109.5 5.7 4.476E-04 3322689267.79687 264.50 205.0 205.0 17.980 111.705 96.297 -62.8 160.6 152.8 320 1334 C 10 H 6 A 0.750 93.750 20 109.8 1.2 6.497E-04 3322689272.73437 264.50 205.3 205.3 17.980 111.730 96.319 -63.4 155.7 153.4 320 1334 C 10 H 6 A 0.775 93.775 20 107.8 -1.0 9.647E-04 3322689277.65625 264.50 203.3 203.3 17.980 111.755 96.341 -65.6 154.8 155.6 320 1334 C 10 H 6 A 0.800 93.800 20 107.7 -2.0 1.177E-03 3322689282.59375 264.50 203.2 203.2 17.980 111.780 96.362 -65.9 153.7 155.9 320 1334 C 10 H 6 A 0.825 93.825 20 108.1 -1.7 1.226E-03 3322689287.53125 264.50 203.6 203.6 17.980 111.805 96.384 -65.4 153.8 155.4 320 1334 C 10 H 6 A 0.850 93.850 20 109.0 0.4 1.250E-03 3322689292.46875 264.50 204.5 204.5 17.980 111.830 96.405 -64.2 155.4 154.2 320 1334 C 10 H 6 A 0.875 93.875 20 105.6 1.6 1.384E-03 3322689297.40625 264.50 201.1 201.1 17.980 111.855 96.427 -67.2 159.8 157.2 320 1334 C 10 H 6 A 0.900 93.900 20 103.4 1.1 1.627E-03 3322689302.32812 264.50 198.9 198.9 17.980 111.880 96.448 -69.3 161.6 159.3 320 1334 C 10 H 6 A 0.925 93.925 20 100.1 0.7 1.736E-03 3322689307.26562 264.50 195.6 195.6 17.980 111.905 96.470 -72.4 165.5 162.4 320 1334 C 10 H 6 A 0.950 93.950 20 99.6 1.1 1.713E-03 3322689312.18750 264.50 195.1 195.1 17.980 111.930 96.491 -72.7 166.9 162.7 320 1334 C 10 H 6 A 0.975 93.975 20 100.7 1.9 1.582E-03 3322689317.12500 264.50 196.2 196.2 17.980 111.955 96.513 -71.5 166.3 161.5 320 1334 C 10 H 6 A 1.000 94.000 20 102.9 3.1 1.286E-03 3322689322.04687 264.50 198.4 198.4 17.980 111.980 96.534 -69.3 164.7 159.3 320 1334 C 10 H 6 A 1.025 94.025 20 107.7 5.2 9.517E-04 3322689326.98437 264.50 203.2 203.2 17.980 112.005 96.556 -64.6 161.7 154.6 320 1334 C 10 H 6 A 1.050 94.050 20 116.1 9.2 5.994E-04 3322689331.92187 264.50 211.6 211.6 17.980 112.030 96.578 -56.0 158.8 146.0 320 1334 C 10 H 6 A 1.075 94.075 20 123.2 12.0 4.367E-04 3322689336.85937 264.50 218.7 218.7 17.980 112.055 96.599 -48.9 156.9 138.9 320 1334 C 10 H 6 A 1.100 94.100 20 121.6 10.6 3.958E-04 3322689341.78125 264.50 217.1 217.1 17.980 112.080 96.621 -50.7 156.7 140.7 320 1334 C 10 H 6 A 1.125 94.125 20 117.4 8.2 3.855E-04 3322689346.71875 264.50 212.9 212.9 17.980 112.105 96.642 -55.0 157.1 145.0 320 1334 C 10 H 6 A 1.150 94.150 20 112.8 7.5 3.585E-04 3322689351.65625 264.50 208.3 208.3 17.980 112.130 96.664 -59.4 159.6 149.4 320 1334 C 10 H 6 A 1.175 94.175 20 109.5 8.6 3.286E-04 3322689356.57812 264.50 205.0 205.0 17.980 112.155 96.685 -62.2 163.5 152.2 320 1334 C 10 H 6 A 1.200 94.200 20 112.6 10.6 2.945E-04 3322689361.51562 264.50 208.1 208.1 17.980 112.180 96.707 -59.0 162.6 149.0 320 1334 C 10 H 6 A 1.225 94.225 20 113.8 11.3 2.551E-04 3322689366.43750 264.50 209.3 209.3 17.980 112.205 96.728 -57.7 162.3 147.7 320 1334 C 10 H 6 A 1.250 94.250 20 120.6 9.7 2.627E-04 3322689371.37500 264.50 216.1 216.1 17.980 112.230 96.750 -51.8 156.5 141.8 320 1334 C 10 H 6 A 1.275 94.275 20 118.4 6.6 2.987E-04 3322689376.31250 264.50 213.9 213.9 17.980 112.255 96.772 -54.3 155.2 144.3 320 1334 C 10 H 6 A 1.300 94.300 20 114.6 3.9 3.540E-04 3322689381.23437 264.50 210.1 210.1 17.980 112.280 96.793 -58.4 155.1 148.4 320 1334 C 10 H 6 A 1.325 94.325 20 116.6 3.6 4.433E-04 3322689386.17187 264.50 212.1 212.1 17.980 112.305 96.815 -56.5 153.7 146.5 320 1334 C 10 H 6 A 1.350 94.350 20 113.3 5.5 5.035E-04 3322689391.10937 264.50 208.8 208.8 17.980 112.330 96.836 -59.3 157.4 149.3 320 1334 C 10 H 6 A 1.375 94.375 20 109.7 6.4 5.807E-04 3322689396.03125 264.50 205.2 205.2 17.980 112.355 96.858 -62.5 161.1 152.5 320 1334 C 10 H 6 A 1.400 94.400 20 111.0 7.6 6.234E-04 3322689400.96875 264.50 206.5 206.5 17.980 112.380 96.879 -61.0 161.2 151.0 320 1334 C 10 H 6 A 1.425 94.425 20 113.0 9.4 6.249E-04 3322689405.90625 264.50 208.5 208.5 17.980 112.405 96.901 -58.9 161.2 148.9 320 1334 C 10 H 7 A 0.075 94.575 20 114.7 3.3 3.249E-04 3322690789.40625 264.50 210.2 210.2 17.980 112.555 97.030 -58.4 154.5 148.4 320 1334 C 10 H 7 A 0.100 94.600 20 121.9 4.6 2.539E-04 3322690794.34375 264.50 217.4 217.4 17.980 112.580 97.052 -51.3 151.9 141.3 320 1334 C 10 H 7 A 0.125 94.625 20 126.2 9.6 1.633E-04 3322690799.28125 264.50 221.7 221.7 17.980 112.605 97.073 -46.5 153.8 136.5 320 1334 C 10 H 7 A 0.150 94.650 20 137.9 15.3 1.465E-04 3322690804.21875 264.50 233.4 233.4 17.980 112.630 97.095 -34.5 153.3 124.5 320 1334 C 10 H 7 A 0.175 94.675 20 141.8 17.9 1.347E-04 3322690809.14062 264.50 237.3 237.3 17.980 112.655 97.116 -30.4 153.6 120.4 320 1334 C 10 H 7 A 0.200 94.700 20 134.8 19.3 1.383E-04 3322690814.07812 264.50 230.3 230.3 17.980 112.680 97.138 -36.8 156.9 126.8 320 1334 C 10 H 7 A 0.225 94.725 20 126.9 22.9 1.372E-04 3322690819.01562 264.50 222.4 222.4 17.980 112.705 97.159 -43.4 162.9 133.4 320 1334 C 10 H 7 A 0.250 94.750 20 110.3 26.4 1.486E-04 3322690823.95312 264.50 205.8 205.8 17.980 112.730 97.181 -56.3 178.5 146.3 320 1334 C 10 H 7 A 0.275 94.775 20 115.6 26.3 1.615E-04 3322690828.87500 264.50 211.1 211.1 17.980 112.755 97.203 -52.2 173.2 142.2 320 1334 C 10 H 7 A 0.300 94.800 20 120.0 29.3 1.581E-04 3322690833.81250 264.50 215.5 215.5 17.980 112.780 97.224 -47.6 172.0 137.6 320 1334 C 10 H 7 A 0.325 94.825 20 130.6 31.3 1.846E-04 3322690838.75000 264.50 226.1 226.1 17.980 112.805 97.246 -38.1 166.9 128.1 320 1334 C 10 H 7 A 0.350 94.850 20 112.8 36.0 2.107E-04 3322690843.68750 264.50 208.3 208.3 17.980 112.830 97.267 -50.5 183.5 140.5 320 1334 C 10 H 7 A 0.375 94.875 20 97.6 32.2 2.869E-04 3322690848.60937 264.50 193.1 193.1 17.980 112.855 97.289 -61.4 201.2 151.4 320 1334 C 10 H 7 A 0.400 94.900 20 92.0 31.2 3.641E-04 3322690853.54687 264.50 187.5 187.5 17.980 112.880 97.310 -64.1 211.4 154.1 320 1334 C 10 H 7 A 0.425 94.925 20 96.0 35.0 4.269E-04 3322690858.48437 264.50 191.5 191.5 17.980 112.905 97.332 -60.5 205.6 150.5 320 1334 C 11 H 1 A 0.725 95.725 20 161.5 -11.4 3.291E-03 3322693420.23437 340.10 181.4 181.4 19.690 115.415 99.496 -87.4 196.2 177.4 320 1334 C 11 H 1 A 0.750 95.750 20 159.1 -12.4 3.073E-03 3322693425.15625 340.10 179.0 179.0 19.690 115.440 99.517 -88.0 258.0 178.0 320 1334 C 11 H 1 A 0.775 95.775 20 161.9 -9.5 2.954E-03 3322693430.09375 340.10 181.8 181.8 19.690 115.465 99.539 -86.3 198.9 176.3 320 1334 C 11 H 1 A 0.800 95.800 20 163.5 -3.0 2.503E-03 3322693435.03125 340.10 183.4 183.4 19.690 115.490 99.560 -82.7 200.3 172.7 320 1334 C 11 H 1 A 0.825 95.825 20 155.9 -4.3 1.390E-03 3322693439.95312 340.10 175.8 175.8 19.690 115.515 99.582 -82.8 263.8 172.8 320 1334 C 11 H 1 A 0.850 95.850 20 160.1 5.4 1.618E-03 3322693444.89062 340.10 180.0 180.0 19.690 115.540 99.603 -79.3 228.0 169.3 320 1334 C 11 H 1 A 0.875 95.875 20 156.4 4.6 1.399E-03 3322693449.82812 340.10 176.3 176.3 19.690 115.565 99.625 -79.1 247.9 169.1 320 1334 C 11 H 1 A 0.900 95.900 20 157.5 7.5 1.288E-03 3322693454.75000 340.10 177.4 177.4 19.690 115.590 99.647 -78.0 240.6 168.0 320 1334 C 11 H 1 A 0.925 95.925 20 159.1 10.1 1.289E-03 3322693459.68750 340.10 179.0 179.0 19.690 115.615 99.668 -76.9 232.4 166.9 320 1334 C 11 H 1 A 0.950 95.950 20 160.0 20.7 1.542E-03 3322693464.62500 340.10 179.9 179.9 19.690 115.640 99.690 -71.3 228.3 161.3 320 1334 C 11 H 1 A 0.975 95.975 20 159.3 8.8 1.861E-03 3322693469.54687 340.10 179.2 179.2 19.690 115.665 99.711 -77.6 231.7 167.6 320 1334 C 11 H 1 A 1.000 96.000 20 156.7 6.5 2.286E-03 3322693474.48437 340.10 176.6 176.6 19.690 115.690 99.733 -78.2 244.9 168.2 320 1334 C 11 H 1 A 1.025 96.025 20 160.9 3.7 3.261E-03 3322693479.40625 340.10 180.8 180.8 19.690 115.715 99.754 -80.1 223.4 170.1 320 1334 C 11 H 1 A 1.050 96.050 20 155.8 3.4 3.065E-03 3322693484.34375 340.10 175.7 175.7 19.690 115.740 99.776 -79.4 252.1 169.4 320 1334 C 11 H 1 A 1.075 96.075 20 154.3 3.2 3.309E-03 3322693489.28125 340.10 174.2 174.2 19.690 115.765 99.797 -78.8 259.3 168.8 320 1334 C 11 H 1 A 1.100 96.100 20 153.6 3.1 3.404E-03 3322693494.20312 340.10 173.5 173.5 19.690 115.790 99.819 -78.5 262.5 168.5 320 1334 C 11 H 1 A 1.125 96.125 20 154.7 3.7 3.197E-03 3322693499.14062 340.10 174.6 174.6 19.690 115.815 99.841 -78.8 256.9 168.8 320 1334 C 11 H 1 A 1.150 96.150 20 157.3 6.0 2.682E-03 3322693504.06250 340.10 177.2 177.2 19.690 115.840 99.862 -78.6 242.4 168.6 320 1334 C 11 H 1 A 1.175 96.175 20 159.3 8.6 2.304E-03 3322693509.00000 340.10 179.2 179.2 19.690 115.865 99.884 -77.7 231.8 167.7 320 1334 C 11 H 1 A 1.200 96.200 20 158.7 10.5 2.152E-03 3322693513.92187 340.10 178.6 178.6 19.690 115.890 99.905 -76.6 234.1 166.6 320 1334 C 11 H 1 A 1.225 96.225 20 155.8 11.9 2.139E-03 3322693518.85937 340.10 175.7 175.7 19.690 115.915 99.927 -75.3 245.2 165.3 320 1334 C 11 H 1 A 1.250 96.250 20 156.4 19.3 2.253E-03 3322693523.78125 340.10 176.3 176.3 19.690 115.940 99.948 -71.7 239.7 161.7 320 1334 C 11 H 1 A 1.275 96.275 20 159.4 15.8 2.206E-03 3322693528.71875 340.10 179.3 179.3 19.690 115.965 99.970 -73.9 230.5 163.9 320 1334 C 11 H 1 A 1.300 96.300 20 161.9 17.0 2.096E-03 3322693533.65625 340.10 181.8 181.8 19.690 115.990 99.991 -73.2 221.9 163.2 320 1334 C 11 H 1 A 1.325 96.325 20 150.7 28.3 1.198E-03 3322693538.57812 340.10 170.6 170.6 19.690 116.015 100.013 -65.1 250.0 155.1 320 1334 C 11 H 1 A 1.350 96.350 20 165.0 16.4 1.758E-03 3322693543.51562 340.10 184.9 184.9 19.690 116.040 100.034 -72.9 211.3 162.9 320 1334 C 11 H 1 A 1.375 96.375 20 165.0 15.6 1.563E-03 3322693548.45312 340.10 184.9 184.9 19.690 116.065 100.056 -73.3 210.9 163.3 320 1334 C 11 H 1 A 1.400 96.400 20 165.8 14.1 1.407E-03 3322693553.39062 340.10 185.7 185.7 19.690 116.090 100.078 -73.8 207.3 163.8 320 1334 C 11 H 1 A 1.425 96.425 20 165.1 11.0 1.389E-03 3322693558.31250 340.10 185.0 185.0 19.690 116.115 100.099 -75.6 207.7 165.6 320 1334 C 11 H 2 A 0.075 96.575 20 164.2 6.3 2.849E-03 3322694640.78125 340.10 184.1 184.1 19.690 116.265 100.228 -78.1 207.8 168.1 320 1334 C 11 H 2 A 0.100 96.600 20 163.8 6.1 2.821E-03 3322694645.71875 340.10 183.7 183.7 19.690 116.290 100.250 -78.3 209.4 168.3 320 1334 C 11 H 2 A 0.125 96.625 20 164.2 6.9 2.637E-03 3322694650.65625 340.10 184.1 184.1 19.690 116.315 100.272 -77.8 208.2 167.8 320 1334 C 11 H 2 A 0.150 96.650 20 166.9 9.9 2.247E-03 3322694655.57812 340.10 186.8 186.8 19.690 116.340 100.293 -75.4 200.2 165.4 320 1334 C 11 H 2 A 0.175 96.675 20 162.7 35.8 1.299E-03 3322694660.51562 340.10 182.6 182.6 19.690 116.365 100.315 -62.1 222.8 152.1 320 1334 C 11 H 2 A 0.200 96.700 20 171.1 21.8 1.655E-03 3322694665.43750 340.10 191.0 191.0 19.690 116.390 100.336 -67.8 198.3 157.8 320 1334 C 11 H 2 A 0.225 96.725 20 169.1 25.7 1.529E-03 3322694670.37500 340.10 189.0 189.0 19.690 116.415 100.358 -66.7 205.4 156.7 320 1334 C 11 H 2 A 0.250 96.750 20 165.4 26.5 1.497E-03 3322694675.29687 340.10 185.3 185.3 19.690 116.440 100.379 -67.4 214.6 157.4 320 1334 C 11 H 2 A 0.275 96.775 20 161.1 26.7 1.481E-03 3322694680.23437 340.10 181.0 181.0 19.690 116.465 100.401 -67.9 225.5 157.9 320 1334 C 11 H 2 A 0.300 96.800 20 160.4 24.7 1.583E-03 3322694685.15625 340.10 180.3 180.3 19.690 116.490 100.422 -69.1 227.2 159.1 320 1334 C 11 H 2 A 0.325 96.825 20 160.9 21.0 1.787E-03 3322694690.09375 340.10 180.8 180.8 19.690 116.515 100.444 -71.1 225.6 161.1 320 1334 C 11 H 2 A 0.350 96.850 20 161.7 17.8 2.006E-03 3322694695.03125 340.10 181.6 181.6 19.690 116.540 100.466 -72.8 222.7 162.8 320 1334 C 11 H 2 A 0.375 96.875 20 162.9 16.0 2.118E-03 3322694699.96875 340.10 182.8 182.8 19.690 116.565 100.487 -73.6 218.2 163.6 320 1334 C 11 H 2 A 0.400 96.900 20 163.9 15.4 2.119E-03 3322694704.89062 340.10 183.8 183.8 19.690 116.590 100.509 -73.7 214.5 163.7 320 1334 C 11 H 2 A 0.425 96.925 20 164.0 16.0 2.000E-03 3322694709.82812 340.10 183.9 183.9 19.690 116.615 100.530 -73.4 214.4 163.4 320 1334 C 11 H 2 A 0.450 96.950 20 165.4 16.4 1.878E-03 3322694714.76562 340.10 185.3 185.3 19.690 116.640 100.552 -72.8 210.0 162.8 320 1334 C 11 H 2 A 0.475 96.975 20 168.1 15.2 1.846E-03 3322694719.68750 340.10 188.0 188.0 19.690 116.665 100.573 -72.4 201.0 162.4 320 1334 C 11 H 2 A 0.500 97.000 20 168.4 13.6 1.860E-03 3322694724.62500 340.10 188.3 188.3 19.690 116.690 100.595 -73.0 198.8 163.0 320 1334 C 11 H 2 A 0.525 97.025 20 168.2 11.8 1.957E-03 3322694729.56250 340.10 188.1 188.1 19.690 116.715 100.616 -73.9 197.7 163.9 320 1334 C 11 H 2 A 0.550 97.050 20 168.1 10.7 1.940E-03 3322694734.48437 340.10 188.0 188.0 19.690 116.740 100.638 -74.4 197.0 164.4 320 1334 C 11 H 2 A 0.575 97.075 20 169.4 10.5 1.811E-03 3322694739.42187 340.10 189.3 189.3 19.690 116.765 100.659 -73.8 192.8 163.8 320 1334 C 11 H 2 A 0.600 97.100 20 171.3 7.0 1.570E-03 3322694744.35937 340.10 191.2 191.2 19.690 116.790 100.681 -74.0 183.5 164.0 320 1334 C 11 H 2 A 0.625 97.125 20 171.0 9.8 1.336E-03 3322694749.28125 340.10 190.9 190.9 19.690 116.815 100.703 -73.1 187.6 163.1 320 1334 C 11 H 2 A 0.650 97.150 20 166.0 5.8 1.147E-03 3322694754.21875 340.10 185.9 185.9 19.690 116.840 100.724 -77.6 199.5 167.6 320 1334 C 11 H 2 A 0.675 97.175 20 160.0 3.5 1.033E-03 3322694759.15625 340.10 179.9 179.9 19.690 116.865 100.746 -80.3 228.6 170.3 320 1334 C 11 H 2 A 0.700 97.200 20 142.6 7.2 5.514E-04 3322694764.07812 340.10 162.5 162.5 19.690 116.890 100.767 -69.0 285.0 159.0 320 1334 C 11 H 2 A 0.725 97.225 20 164.1 6.4 8.608E-04 3322694769.01562 340.10 184.0 184.0 19.690 116.915 100.789 -78.1 208.3 168.1 320 1334 C 11 H 2 A 0.750 97.250 20 169.2 8.7 8.631E-04 3322694773.95312 340.10 189.1 189.1 19.690 116.940 100.810 -74.7 191.5 164.7 320 1334 C 11 H 2 A 0.775 97.275 20 171.7 10.5 8.797E-04 3322694778.87500 340.10 191.6 191.6 19.690 116.965 100.832 -72.4 186.6 162.4 320 1334 C 11 H 2 A 0.800 97.300 20 172.5 11.3 1.004E-03 3322694783.81250 340.10 192.4 192.4 19.690 116.990 100.853 -71.5 185.6 161.5 320 1334 C 11 H 2 A 0.825 97.325 20 172.3 11.5 1.125E-03 3322694788.75000 340.10 192.2 192.2 19.690 117.015 100.875 -71.6 186.3 161.6 320 1334 C 11 H 2 A 0.850 97.350 20 170.4 10.8 1.275E-03 3322694793.68750 340.10 190.3 190.3 19.690 117.040 100.897 -73.1 190.3 163.1 320 1334 C 11 H 2 A 0.875 97.375 20 167.6 9.1 1.423E-03 3322694798.60937 340.10 187.5 187.5 19.690 117.065 100.918 -75.4 197.0 165.4 320 1334 C 11 H 2 A 0.900 97.400 20 164.3 7.5 1.532E-03 3322694803.54687 340.10 184.2 184.2 19.690 117.090 100.940 -77.5 208.3 167.5 320 1334 C 11 H 2 A 0.925 97.425 20 163.3 7.0 1.603E-03 3322694808.48437 340.10 183.2 183.2 19.690 117.115 100.961 -78.1 212.4 168.1 320 1334 C 11 H 2 A 0.950 97.450 20 163.4 8.7 1.505E-03 3322694813.40625 340.10 183.3 183.3 19.690 117.140 100.983 -77.2 213.0 167.2 320 1334 C 11 H 2 A 0.975 97.475 20 166.1 13.1 1.339E-03 3322694818.34375 340.10 186.0 186.0 19.690 117.165 101.004 -74.2 205.6 164.2 320 1334 C 11 H 2 A 1.000 97.500 20 168.9 17.3 1.247E-03 3322694823.28125 340.10 188.8 188.8 19.690 117.190 101.026 -71.0 200.4 161.0 320 1334 C 11 H 2 A 1.025 97.525 20 169.6 18.1 1.230E-03 3322694828.20312 340.10 189.5 189.5 19.690 117.215 101.047 -70.3 199.1 160.3 320 1334 C 11 H 2 A 1.050 97.550 20 169.6 16.8 1.243E-03 3322694833.14062 340.10 189.5 189.5 19.690 117.240 101.069 -70.9 198.1 160.9 320 1334 C 11 H 2 A 1.075 97.575 20 167.6 15.7 1.310E-03 3322694838.06250 340.10 187.5 187.5 19.690 117.265 101.091 -72.3 202.8 162.3 320 1334 C 11 H 2 A 1.100 97.600 20 166.5 15.8 1.359E-03 3322694843.00000 340.10 186.4 186.4 19.690 117.290 101.112 -72.7 206.2 162.7 320 1334 C 11 H 2 A 1.125 97.625 20 166.9 15.8 1.378E-03 3322694847.93750 340.10 186.8 186.8 19.690 117.315 101.134 -72.6 205.0 162.6 320 1334 C 11 H 2 A 1.150 97.650 20 168.5 14.2 1.459E-03 3322694852.85937 340.10 188.4 188.4 19.690 117.340 101.155 -72.6 199.0 162.6 320 1334 C 11 H 2 A 1.175 97.675 20 171.3 11.0 1.552E-03 3322694857.79687 340.10 191.2 191.2 19.690 117.365 101.177 -72.4 188.2 162.4 320 1334 C 11 H 2 A 1.200 97.700 20 172.4 8.5 1.523E-03 3322694862.73437 340.10 192.3 192.3 19.690 117.390 101.198 -72.7 182.6 162.7 320 1334 C 11 H 2 A 1.225 97.725 20 172.1 8.1 1.418E-03 3322694867.67187 340.10 192.0 192.0 19.690 117.415 101.220 -73.0 182.9 163.0 320 1334 C 11 H 2 A 1.250 97.750 20 170.2 9.1 1.336E-03 3322694872.59375 340.10 190.1 190.1 19.690 117.440 101.241 -73.9 189.0 163.9 320 1334 C 11 H 2 A 1.275 97.775 20 167.1 8.9 1.207E-03 3322694877.53125 340.10 187.0 187.0 19.690 117.465 101.263 -75.7 198.6 165.7 320 1334 C 11 H 2 A 1.300 97.800 20 167.3 6.0 1.100E-03 3322694882.46875 340.10 187.2 187.2 19.690 117.490 101.284 -76.9 194.6 166.9 320 1334 C 11 H 2 A 1.325 97.825 20 169.2 3.0 1.034E-03 3322694887.39062 340.10 189.1 189.1 19.690 117.515 101.306 -76.9 184.0 166.9 320 1334 C 11 H 2 A 1.350 97.850 20 173.8 1.8 1.015E-03 3322694892.32812 340.10 193.7 193.7 19.690 117.540 101.328 -73.7 170.5 163.7 320 1334 C 11 H 2 A 1.375 97.875 20 178.7 2.5 1.142E-03 3322694897.26562 340.10 198.6 198.6 19.690 117.565 101.349 -69.3 163.7 159.3 320 1334 C 11 H 2 A 1.400 97.900 20 177.8 3.1 1.333E-03 3322694902.18750 340.10 197.7 197.7 19.690 117.590 101.371 -69.9 165.7 159.9 320 1334 C 11 H 2 A 1.425 97.925 20 174.7 2.8 1.562E-03 3322694907.12500 340.10 194.6 194.6 19.690 117.615 101.392 -72.7 170.3 162.7 320 1334 C 11 H 3 A 0.075 98.075 20 162.4 25.2 1.134E-03 3322695713.00000 340.10 182.3 182.3 19.690 117.765 101.522 -68.6 221.9 158.6 320 1334 C 11 H 3 A 0.100 98.100 20 168.6 23.5 8.337E-04 3322695717.93750 340.10 188.5 188.5 19.690 117.790 101.543 -68.0 205.3 158.0 320 1334 C 11 H 3 A 0.125 98.125 20 176.6 35.7 6.220E-04 3322695722.87500 340.10 196.5 196.5 19.690 117.815 101.565 -57.8 197.9 147.8 320 1334 C 11 H 3 A 0.150 98.150 20 188.5 43.3 4.836E-04 3322695727.79687 340.10 208.4 208.4 19.690 117.840 101.586 -46.8 189.1 136.8 320 1334 C 11 H 3 A 0.175 98.175 20 187.5 41.3 3.879E-04 3322695732.73437 340.10 207.4 207.4 19.690 117.865 101.608 -48.5 188.5 138.5 320 1334 C 11 H 3 A 0.200 98.200 20 162.8 28.1 3.985E-04 3322695737.65625 340.10 182.7 182.7 19.690 117.890 101.629 -66.9 221.4 156.9 320 1334 C 11 H 3 A 0.225 98.225 20 154.7 13.5 5.750E-04 3322695742.59375 340.10 174.6 174.6 19.690 117.915 101.651 -74.2 248.1 164.2 320 1334 C 11 H 3 A 0.250 98.250 20 158.1 8.5 8.775E-04 3322695747.53125 340.10 178.0 178.0 19.690 117.940 101.672 -77.6 237.3 167.6 320 1334 C 11 H 3 A 0.275 98.275 20 163.7 7.4 1.154E-03 3322695752.46875 340.10 183.6 183.6 19.690 117.965 101.694 -77.8 210.9 167.8 320 1334 C 11 H 3 A 0.300 98.300 20 165.8 6.8 1.398E-03 3322695757.39062 340.10 185.7 185.7 19.690 117.990 101.716 -77.3 201.3 167.3 320 1334 C 11 H 3 A 0.325 98.325 20 165.9 6.8 1.467E-03 3322695762.32812 340.10 185.8 185.8 19.690 118.015 101.737 -77.2 200.9 167.2 320 1334 C 11 H 3 A 0.350 98.350 20 165.8 7.5 1.365E-03 3322695767.26562 340.10 185.7 185.7 19.690 118.040 101.759 -76.9 202.0 166.9 320 1334 C 11 H 3 A 0.375 98.375 20 166.2 9.3 1.196E-03 3322695772.18750 340.10 186.1 186.1 19.690 118.065 101.780 -75.9 202.2 165.9 320 1334 C 11 H 3 A 0.400 98.400 20 165.2 10.9 1.092E-03 3322695777.12500 340.10 185.1 185.1 19.690 118.090 101.802 -75.6 207.2 165.6 320 1334 C 11 H 3 A 0.425 98.425 20 163.9 10.0 1.113E-03 3322695782.04687 340.10 183.8 183.8 19.690 118.115 101.823 -76.4 211.7 166.4 320 1334 C 11 H 3 A 0.450 98.450 20 162.4 9.5 1.079E-03 3322695786.98437 340.10 182.3 182.3 19.690 118.140 101.845 -77.0 217.8 167.0 320 1334 C 11 H 3 A 0.475 98.475 20 159.9 10.3 9.879E-04 3322695791.90625 340.10 179.8 179.8 19.690 118.165 101.866 -76.8 228.9 166.8 320 1334 C 11 H 3 A 0.500 98.500 20 160.0 10.3 9.530E-04 3322695796.84375 340.10 179.9 179.9 19.690 118.190 101.888 -76.8 228.5 166.8 320 1334 C 11 H 3 A 0.525 98.525 20 160.5 7.6 1.015E-03 3322695801.78125 340.10 180.4 180.4 19.690 118.215 101.909 -78.2 226.1 168.2 320 1334 C 11 H 3 A 0.550 98.550 20 162.4 4.8 1.082E-03 3322695806.70312 340.10 182.3 182.3 19.690 118.240 101.931 -79.4 215.5 169.4 320 1334 C 11 H 3 A 0.575 98.575 20 163.8 2.2 1.087E-03 3322695811.64062 340.10 183.7 183.7 19.690 118.265 101.953 -80.2 205.8 170.2 320 1334 C 11 H 3 A 0.600 98.600 20 165.8 -5.3 1.121E-03 3322695816.56250 340.10 185.7 185.7 19.690 118.290 101.974 -82.2 181.0 172.2 320 1334 C 11 H 3 A 0.625 98.625 20 165.7 0.1 1.234E-03 3322695821.50000 340.10 185.6 185.6 19.690 118.315 101.996 -80.2 193.0 170.2 320 1334 C 11 H 3 A 0.650 98.650 20 165.1 -0.6 1.401E-03 3322695826.42187 340.10 185.0 185.0 19.690 118.340 102.017 -80.8 194.9 170.8 320 1334 C 11 H 3 A 0.675 98.675 20 164.0 -0.1 1.465E-03 3322695831.35937 340.10 183.9 183.9 19.690 118.365 102.039 -81.2 201.8 171.2 320 1334 C 11 H 3 A 0.700 98.700 20 163.7 1.7 1.366E-03 3322695836.28125 340.10 183.6 183.6 19.690 118.390 102.060 -80.5 205.8 170.5 320 1334 C 11 H 3 A 0.725 98.725 20 163.5 4.4 1.098E-03 3322695841.21875 340.10 183.4 183.4 19.690 118.415 102.082 -79.3 209.5 169.3 320 1334 C 11 H 3 A 0.750 98.750 20 164.0 6.9 9.060E-04 3322695846.15625 340.10 183.9 183.9 19.690 118.440 102.103 -77.9 209.1 167.9 320 1334 C 11 H 3 A 0.775 98.775 20 163.7 8.3 8.852E-04 3322695851.07812 340.10 183.6 183.6 19.690 118.465 102.125 -77.3 211.5 167.3 320 1334 C 11 H 3 A 0.800 98.800 20 161.6 8.5 1.004E-03 3322695856.01562 340.10 181.5 181.5 19.690 118.490 102.147 -77.6 221.0 167.6 320 1334 C 11 H 3 A 0.825 98.825 20 159.9 7.9 1.230E-03 3322695860.93750 340.10 179.8 179.8 19.690 118.515 102.168 -78.0 229.0 168.0 320 1334 C 11 H 3 A 0.850 98.850 20 159.2 8.2 1.397E-03 3322695865.87500 340.10 179.1 179.1 19.690 118.540 102.190 -77.9 232.3 167.9 320 1334 C 11 H 3 A 0.875 98.875 20 159.0 8.4 1.465E-03 3322695870.79687 340.10 178.9 178.9 19.690 118.565 102.211 -77.7 233.2 167.7 320 1334 C 11 H 3 A 0.900 98.900 20 159.5 8.7 1.444E-03 3322695875.73437 340.10 179.4 179.4 19.690 118.590 102.233 -77.6 230.8 167.6 320 1334 C 11 H 3 A 0.925 98.925 20 158.5 9.7 1.291E-03 3322695880.65625 340.10 178.4 178.4 19.690 118.615 102.254 -77.0 235.1 167.0 320 1334 C 11 H 3 A 0.950 98.950 20 159.7 11.0 1.158E-03 3322695885.59375 340.10 179.6 179.6 19.690 118.640 102.276 -76.4 229.7 166.4 320 1334 C 11 H 3 A 0.975 98.975 20 162.9 11.9 1.004E-03 3322695890.53125 340.10 182.8 182.8 19.690 118.665 102.297 -75.7 216.7 165.7 320 1334 C 11 H 3 A 1.000 99.000 20 167.2 9.5 9.028E-04 3322695895.45312 340.10 187.1 187.1 19.690 118.690 102.319 -75.4 198.8 165.4 320 1334 C 11 H 3 A 1.025 99.025 20 167.2 6.0 9.302E-04 3322695900.39062 340.10 187.1 187.1 19.690 118.715 102.341 -76.9 195.0 166.9 320 1334 C 11 H 3 A 1.050 99.050 20 162.1 5.6 9.607E-04 3322695905.31250 340.10 182.0 182.0 19.690 118.740 102.362 -79.0 217.5 169.0 320 1334 C 11 H 3 A 1.075 99.075 20 160.4 8.9 9.886E-04 3322695910.25000 340.10 180.3 180.3 19.690 118.765 102.384 -77.5 226.6 167.5 320 1334 C 11 H 3 A 1.100 99.100 20 160.7 24.2 1.093E-03 3322695915.17187 340.10 180.6 180.6 19.690 118.790 102.405 -69.3 226.4 159.3 320 1334 C 11 H 3 A 1.125 99.125 20 163.3 15.9 1.146E-03 3322695920.10937 340.10 183.2 183.2 19.690 118.815 102.427 -73.6 216.8 163.6 320 1334 C 11 H 3 A 1.150 99.150 20 165.1 11.6 1.467E-03 3322695925.03125 340.10 185.0 185.0 19.690 118.840 102.448 -75.3 208.1 165.3 320 1334 C 11 H 3 A 1.175 99.175 20 166.0 6.3 2.186E-03 3322695929.96875 340.10 185.9 185.9 19.690 118.865 102.470 -77.4 200.0 167.4 320 1334 C 11 H 3 A 1.200 99.200 20 162.1 4.0 2.507E-03 3322695934.90625 340.10 182.0 182.0 19.690 118.890 102.491 -79.8 216.7 169.8 320 1334 C 11 H 3 A 1.225 99.225 20 162.0 2.6 3.024E-03 3322695939.82812 340.10 181.9 181.9 19.690 118.915 102.513 -80.5 216.4 170.5 320 1334 C 11 H 3 A 1.250 99.250 20 159.3 2.9 2.868E-03 3322695944.76562 340.10 179.2 179.2 19.690 118.940 102.534 -80.5 232.9 170.5 320 1334 C 11 H 3 A 1.275 99.275 20 158.8 3.9 2.628E-03 3322695949.68750 340.10 178.7 178.7 19.690 118.965 102.556 -80.0 235.5 170.0 320 1334 C 11 H 3 A 1.300 99.300 20 160.1 5.0 2.153E-03 3322695954.62500 340.10 180.0 180.0 19.690 118.990 102.578 -79.5 228.0 169.5 320 1334 C 11 H 3 A 1.325 99.325 20 158.0 6.9 1.462E-03 3322695959.56250 340.10 177.9 177.9 19.690 119.015 102.599 -78.4 238.5 168.4 320 1334 C 11 H 3 A 1.350 99.350 20 161.1 7.5 1.255E-03 3322695964.48437 340.10 181.0 181.0 19.690 119.040 102.621 -78.2 223.1 168.2 320 1334 C 11 H 3 A 1.375 99.375 20 143.9 15.2 5.628E-04 3322695969.42187 340.10 163.8 163.8 19.690 119.065 102.642 -67.5 274.2 157.5 320 1334 C 11 H 3 A 1.400 99.400 20 158.0 14.7 4.909E-04 3322695974.35937 340.10 177.9 177.9 19.690 119.090 102.664 -74.4 235.8 164.4 320 1334 C 11 H 3 A 1.425 99.425 20 325.4 10.6 5.591E-04 3322695979.28125 340.10 345.3 -14.7 19.690 119.115 102.685 75.2 128.6 14.8 320 1334 C 11 H 4 A 0.075 99.575 20 344.1 -1.1 7.041E-04 3322696806.45312 340.10 4.0 4.0 19.690 119.265 102.815 80.6 22.8 9.4 320 1334 C 11 H 4 A 0.100 99.600 20 342.4 -3.7 7.544E-04 3322696811.39062 340.10 2.3 2.3 19.690 119.290 102.836 79.9 34.8 10.1 320 1334 C 11 H 4 A 0.125 99.625 20 338.7 -4.1 7.749E-04 3322696816.32812 340.10 358.6 -1.4 19.690 119.315 102.858 79.9 56.0 10.2 320 1334 C 11 H 4 A 0.150 99.650 20 335.7 -2.0 7.948E-04 3322696821.25000 340.10 355.6 -4.4 19.690 119.340 102.879 80.0 74.2 10.0 320 1334 C 11 H 4 A 0.175 99.675 20 335.5 0.7 8.831E-04 3322696826.17187 340.10 355.4 -4.6 19.690 119.365 102.901 81.1 79.2 8.9 320 1334 C 11 H 4 A 0.200 99.700 20 344.1 2.6 1.333E-03 3322696831.10937 340.10 4.0 4.0 19.690 119.390 102.922 82.2 17.1 7.8 320 1334 C 11 H 4 A 0.225 99.725 20 340.1 3.7 1.193E-03 3322696836.04687 340.10 0.0 0.0 19.690 119.415 102.944 83.9 48.0 6.2 320 1334 C 11 H 4 A 0.250 99.750 20 339.9 2.9 1.388E-03 3322696840.98437 340.10 359.8 -0.2 19.690 119.440 102.966 83.5 49.8 6.6 320 1334 C 11 H 4 A 0.275 99.775 20 339.0 2.4 1.538E-03 3322696845.90625 340.10 358.9 -1.1 19.690 119.465 102.987 83.1 57.2 6.9 320 1334 C 11 H 4 A 0.300 99.800 20 336.6 2.4 1.622E-03 3322696850.84375 340.10 356.5 -3.5 19.690 119.490 103.009 82.4 75.4 7.6 320 1334 C 11 H 4 A 0.325 99.825 20 335.5 1.8 1.567E-03 3322696855.78125 340.10 355.4 -4.6 19.690 119.515 103.030 81.6 81.1 8.5 320 1334 C 11 H 4 A 0.350 99.850 20 337.6 0.3 1.374E-03 3322696860.70312 340.10 357.5 -2.5 19.690 119.540 103.052 81.8 65.8 8.2 320 1334 C 11 H 4 A 0.375 99.875 20 338.1 -0.1 1.080E-03 3322696865.64062 340.10 358.0 -2.0 19.690 119.565 103.073 81.7 62.0 8.3 320 1334 C 11 H 4 A 0.400 99.900 20 336.5 1.5 7.773E-04 3322696870.56250 340.10 356.4 -3.6 19.690 119.590 103.095 81.9 74.5 8.1 320 1334 C 11 H 4 A 0.425 99.925 20 320.6 -0.9 4.869E-04 3322696875.50000 340.10 340.5 -19.5 19.690 119.615 103.116 68.8 115.4 21.2 320 1334 C 11 H 4 A 0.450 99.950 20 298.5 -16.1 2.994E-04 3322696880.42187 340.10 318.4 -41.6 19.690 119.640 103.138 45.5 117.6 44.5 320 1334 C 11 H 4 A 0.475 99.975 20 309.5 -45.0 2.276E-04 3322696885.35937 340.10 329.4 -30.6 19.690 119.665 103.159 44.4 87.6 45.6 320 1334 C 11 H 4 A 0.500 100.000 20 18.7 -54.6 1.654E-04 3322696890.29687 340.10 38.6 38.6 19.690 119.690 103.181 33.6 10.3 56.4 320 1334 C 11 H 4 A 0.525 100.025 20 165.6 -5.2 4.612E-04 3322696895.23437 340.10 185.5 185.5 19.690 119.715 103.203 -82.3 182.3 172.3 320 1334 C 11 H 4 A 0.550 100.050 20 158.4 2.7 2.644E-04 3322696900.15625 340.10 178.3 178.3 19.690 119.740 103.224 -80.5 238.4 170.5 320 1334 C 11 H 4 A 0.575 100.075 20 166.9 3.0 5.043E-04 3322696905.09375 340.10 186.8 186.8 19.690 119.765 103.246 -78.3 192.2 168.3 320 1334 C 11 H 4 A 0.600 100.100 20 172.0 1.9 1.257E-03 3322696910.03125 340.10 191.9 191.9 19.690 119.790 103.267 -75.1 174.5 165.1 320 1334 C 11 H 4 A 0.625 100.125 20 165.7 4.1 1.048E-03 3322696914.95312 340.10 185.6 185.6 19.690 119.815 103.289 -78.5 198.7 168.5 320 1334 C 11 H 4 A 0.650 100.150 20 164.8 5.1 1.185E-03 3322696919.89062 340.10 184.7 184.7 19.690 119.840 103.310 -78.5 203.9 168.5 320 1334 C 11 H 4 A 0.675 100.175 20 161.7 5.3 1.222E-03 3322696924.81250 340.10 181.6 181.6 19.690 119.865 103.332 -79.2 219.5 169.2 320 1334 C 11 H 4 A 0.700 100.200 20 158.9 5.3 1.250E-03 3322696929.75000 340.10 178.8 178.8 19.690 119.890 103.353 -79.3 234.5 169.3 320 1334 C 11 H 4 A 0.725 100.225 20 157.1 6.5 1.260E-03 3322696934.67187 340.10 177.0 177.0 19.690 119.915 103.375 -78.4 243.0 168.4 320 1334 C 11 H 4 A 0.750 100.250 20 156.7 7.6 1.319E-03 3322696939.60937 340.10 176.6 176.6 19.690 119.940 103.397 -77.7 244.2 167.7 320 1334 C 11 H 4 A 0.775 100.275 20 155.7 8.3 1.353E-03 3322696944.53125 340.10 175.6 175.6 19.690 119.965 103.418 -77.1 248.0 167.1 320 1334 C 11 H 4 A 0.800 100.300 20 156.2 8.4 1.421E-03 3322696949.46875 340.10 176.1 176.1 19.690 119.990 103.440 -77.2 245.8 167.2 320 1334 C 11 H 4 A 0.825 100.325 20 158.6 8.0 1.506E-03 3322696954.40625 340.10 178.5 178.5 19.690 120.015 103.461 -77.9 235.2 167.9 320 1334 C 11 H 4 A 0.850 100.350 20 160.9 7.7 1.547E-03 3322696959.32812 340.10 180.8 180.8 19.690 120.040 103.483 -78.1 224.2 168.1 320 1334 C 11 H 4 A 0.875 100.375 20 160.3 7.4 1.504E-03 3322696964.26562 340.10 180.2 180.2 19.690 120.065 103.504 -78.3 227.0 168.3 320 1334 C 11 H 4 A 0.900 100.400 20 158.5 7.0 1.347E-03 3322696969.18750 340.10 178.4 178.4 19.690 120.090 103.526 -78.4 236.0 168.4 320 1334 C 11 H 4 A 0.925 100.425 20 156.7 6.2 1.234E-03 3322696974.12500 340.10 176.6 176.6 19.690 120.115 103.547 -78.4 245.1 168.4 320 1334 C 11 H 4 A 0.950 100.450 20 157.5 4.9 1.281E-03 3322696979.06250 340.10 177.4 177.4 19.690 120.140 103.569 -79.2 242.1 169.2 320 1334 C 11 H 4 A 0.975 100.475 20 158.9 4.3 1.463E-03 3322696983.98437 340.10 178.8 178.8 19.690 120.165 103.591 -79.8 234.8 169.8 320 1334 C 11 H 4 A 1.000 100.500 20 159.4 4.5 1.671E-03 3322696988.92187 340.10 179.3 179.3 19.690 120.190 103.612 -79.7 232.0 169.7 320 1334 C 11 H 4 A 1.025 100.525 20 161.9 4.6 2.193E-03 3322696993.85937 340.10 181.8 181.8 19.690 120.215 103.634 -79.5 218.1 169.5 320 1334 C 11 H 4 A 1.050 100.550 20 159.2 7.2 1.969E-03 3322696998.78125 340.10 179.1 179.1 19.690 120.240 103.655 -78.4 232.5 168.4 320 1334 C 11 H 4 A 1.075 100.575 20 161.0 11.1 2.081E-03 3322697003.71875 340.10 180.9 180.9 19.690 120.265 103.677 -76.4 224.2 166.4 320 1334 C 11 H 4 A 1.100 100.600 20 161.6 8.8 2.070E-03 3322697008.65625 340.10 181.5 181.5 19.690 120.290 103.698 -77.5 221.1 167.5 320 1334 C 11 H 4 A 1.125 100.625 20 161.8 8.5 2.026E-03 3322697013.59375 340.10 181.7 181.7 19.690 120.315 103.720 -77.6 220.1 167.6 320 1334 C 11 H 4 A 1.150 100.650 20 161.9 7.3 1.925E-03 3322697018.51562 340.10 181.8 181.8 19.690 120.340 103.741 -78.2 219.2 168.2 320 1334 C 11 H 4 A 1.175 100.675 20 162.1 6.5 1.820E-03 3322697023.45312 340.10 182.0 182.0 19.690 120.365 103.763 -78.6 217.9 168.6 320 1334 C 11 H 4 A 1.200 100.700 20 164.0 6.0 1.786E-03 3322697028.39062 340.10 183.9 183.9 19.690 120.390 103.784 -78.3 208.4 168.3 320 1334 C 11 H 4 A 1.225 100.725 20 164.5 6.2 1.819E-03 3322697033.32812 340.10 184.4 184.4 19.690 120.415 103.806 -78.1 206.3 168.1 320 1334 C 11 H 4 A 1.250 100.750 20 163.1 7.6 1.769E-03 3322697038.25000 340.10 183.0 183.0 19.690 120.440 103.828 -77.8 213.7 167.8 320 1334 C 11 H 4 A 1.275 100.775 20 162.2 10.5 1.571E-03 3322697043.18750 340.10 182.1 182.1 19.690 120.465 103.849 -76.5 219.0 166.5 320 1334 C 11 H 4 A 1.300 100.800 20 161.1 15.9 1.209E-03 3322697048.12500 340.10 181.0 181.0 19.690 120.490 103.871 -73.9 224.5 163.9 320 1334 C 11 H 4 A 1.325 100.825 20 144.6 38.3 6.351E-04 3322697053.04687 340.10 164.5 164.5 19.690 120.515 103.892 -56.8 255.0 146.8 320 1334 C 11 H 4 A 1.350 100.850 20 163.2 32.5 8.292E-04 3322697057.98437 340.10 183.1 183.1 19.690 120.540 103.914 -64.2 221.2 154.2 320 1334 C 11 H 4 A 1.375 100.875 20 164.2 43.0 7.309E-04 3322697062.90625 340.10 184.1 184.1 19.690 120.565 103.935 -56.8 221.2 146.8 320 1334 C 11 H 4 A 1.400 100.900 20 165.1 57.2 6.370E-04 3322697067.84375 340.10 185.0 185.0 19.690 120.590 103.957 -44.0 222.5 134.0 320 1334 C 11 H 4 A 1.425 100.925 20 169.8 71.8 5.655E-04 3322697072.78125 340.10 189.7 189.7 19.690 120.615 103.978 -24.8 222.2 114.8 320 1334 C 11 H 5 A 0.060 101.060 20 207.8 30.7 3.688E-04 3322697852.53125 340.10 227.7 227.7 19.690 120.750 104.095 -36.8 165.7 126.8 320 1334 C 11 H 5 A 0.070 101.070 20 192.5 38.7 2.842E-04 3322697857.12500 340.10 212.4 212.4 19.690 120.760 104.103 -46.4 181.9 136.4 320 1334 C 11 H 5 A 0.080 101.080 20 169.4 47.0 2.346E-04 3322697861.71875 340.10 189.3 189.3 19.690 120.770 104.112 -52.7 214.4 142.7 320 1334 C 11 H 5 A 0.090 101.090 20 156.9 47.8 2.291E-04 3322697866.31250 340.10 176.8 176.8 19.690 120.780 104.121 -53.0 232.7 143.0 320 1334 C 11 H 5 A 0.100 101.100 20 150.3 50.0 2.223E-04 3322697870.90625 340.10 170.2 170.2 19.690 120.790 104.129 -50.1 241.2 140.1 320 1334 C 11 H 5 A 0.110 101.110 20 141.7 55.4 2.033E-04 3322697875.48437 340.10 161.6 161.6 19.690 120.800 104.138 -42.8 248.4 132.8 320 1334 C 11 H 5 A 0.120 101.120 20 146.6 55.7 2.024E-04 3322697880.07812 340.10 166.5 166.5 19.690 120.810 104.147 -44.0 243.2 134.0 320 1334 C 11 H 5 A 0.130 101.130 20 142.9 58.2 1.954E-04 3322697884.67187 340.10 162.8 162.8 19.690 120.820 104.155 -40.5 245.6 130.5 320 1334 C 11 H 5 A 0.140 101.140 20 139.7 65.1 1.809E-04 3322697889.26562 340.10 159.6 159.6 19.690 120.830 104.164 -32.0 244.3 122.0 320 1334 C 11 H 5 A 0.150 101.150 20 137.8 66.2 1.782E-04 3322697893.84375 340.10 157.7 157.7 19.690 120.840 104.172 -30.1 244.9 120.1 320 1334 C 11 H 5 A 0.160 101.160 20 135.0 63.1 1.839E-04 3322697898.43750 340.10 154.9 154.9 19.690 120.850 104.181 -32.8 249.1 122.8 320 1334 C 11 H 5 A 0.170 101.170 20 136.0 66.5 1.787E-04 3322697903.03125 340.10 155.9 155.9 19.690 120.860 104.190 -29.2 245.9 119.2 320 1334 C 11 H 5 A 0.180 101.180 20 144.6 63.3 1.824E-04 3322697907.60937 340.10 164.5 164.5 19.690 120.870 104.198 -35.4 241.5 125.4 320 1334 C 11 H 5 A 0.190 101.190 20 141.7 64.3 1.777E-04 3322697912.20312 340.10 161.6 161.6 19.690 120.880 104.207 -33.5 243.2 123.5 320 1334 C 11 H 5 A 0.200 101.200 20 154.3 59.3 1.852E-04 3322697916.79687 340.10 174.2 174.2 19.690 120.890 104.216 -41.6 234.0 131.6 320 1334 C 11 H 5 A 0.210 101.210 20 154.7 61.0 1.806E-04 3322697921.39062 340.10 174.6 174.6 19.690 120.900 104.224 -39.7 233.2 129.7 320 1334 C 11 H 5 A 0.220 101.220 20 155.3 59.6 1.799E-04 3322697925.96875 340.10 175.2 175.2 19.690 120.910 104.233 -41.4 232.9 131.4 320 1334 C 11 H 5 A 0.230 101.230 20 159.1 58.6 1.810E-04 3322697930.56250 340.10 179.0 179.0 19.690 120.920 104.241 -42.7 229.1 132.7 320 1334 C 11 H 5 A 0.240 101.240 20 161.0 63.0 1.724E-04 3322697935.15625 340.10 180.9 180.9 19.690 120.930 104.250 -37.5 227.2 127.5 320 1334 C 11 H 5 A 0.250 101.250 20 165.9 72.6 1.603E-04 3322697939.73437 340.10 185.8 185.8 19.690 120.940 104.259 -23.9 224.7 113.9 320 1334 C 11 H 5 A 0.260 101.260 20 209.9 82.6 1.575E-04 3322697944.32812 340.10 229.8 229.8 19.690 120.950 104.267 -1.5 217.0 91.5 320 1334 C 11 H 5 A 0.270 101.270 20 289.4 77.0 1.666E-04 3322697948.92187 340.10 309.3 -50.7 19.690 120.960 104.276 22.9 207.4 67.1 320 1334 C 11 H 5 A 0.280 101.280 20 313.2 57.9 2.034E-04 3322697953.51562 340.10 333.1 -26.9 19.690 120.970 104.284 51.0 193.8 39.0 320 1334 C 11 H 5 A 0.290 101.290 20 298.6 51.9 2.446E-04 3322697958.10937 340.10 318.5 -41.5 19.690 120.980 104.293 44.4 176.5 45.6 320 1334 C 11 H 5 A 0.300 101.300 20 306.3 41.3 3.162E-04 3322697962.68750 340.10 326.2 -33.8 19.690 120.990 104.302 54.0 167.9 36.0 320 1334 C 11 H 5 A 0.310 101.310 20 313.6 34.0 4.126E-04 3322697967.28125 340.10 333.5 -26.5 19.690 121.000 104.310 62.2 163.2 27.8 320 1334 C 11 H 5 A 0.320 101.320 20 317.3 29.4 5.298E-04 3322697971.85937 340.10 337.2 -22.8 19.690 121.010 104.319 66.4 159.3 23.6 320 1334 C 11 H 5 A 0.330 101.330 20 320.8 27.8 6.309E-04 3322697976.45312 340.10 340.7 -19.3 19.690 121.020 104.328 69.9 159.5 20.1 320 1334 C 11 H 5 A 0.340 101.340 20 319.9 27.3 7.275E-04 3322697981.04687 340.10 339.8 -20.2 19.690 121.030 104.336 69.2 157.9 20.8 320 1334 C 11 H 5 A 0.350 101.350 20 322.3 25.9 8.517E-04 3322697985.64062 340.10 342.2 -17.8 19.690 121.040 104.345 71.6 157.5 18.4 320 1334 C 11 H 5 A 0.360 101.360 20 323.5 25.6 9.451E-04 3322697990.23437 340.10 343.4 -16.6 19.690 121.050 104.353 72.8 158.0 17.2 320 1334 C 11 H 5 A 0.370 101.370 20 324.7 25.1 1.031E-03 3322697994.81250 340.10 344.6 -15.4 19.690 121.060 104.362 74.0 158.2 16.0 320 1334 C 11 H 5 A 0.380 101.380 20 327.0 23.9 1.131E-03 3322697999.40625 340.10 346.9 -13.1 19.690 121.070 104.371 76.4 158.3 13.7 320 1334 C 11 H 5 A 0.390 101.390 20 328.7 22.8 1.205E-03 3322698004.00000 340.10 348.6 -11.4 19.690 121.080 104.379 78.1 158.0 11.9 320 1334 C 11 H 5 A 0.400 101.400 20 329.9 22.2 1.227E-03 3322698008.59375 340.10 349.8 -10.2 19.690 121.090 104.388 79.4 158.2 10.7 320 1334 C 11 H 5 A 0.410 101.410 20 331.3 20.5 1.274E-03 3322698013.17187 340.10 351.2 -8.8 19.690 121.100 104.397 80.9 155.3 9.1 320 1334 C 11 H 5 A 0.420 101.420 20 332.7 18.9 1.289E-03 3322698017.76562 340.10 352.6 -7.4 19.690 121.110 104.405 82.5 151.8 7.5 320 1334 C 11 H 5 A 0.430 101.430 20 333.8 17.0 1.302E-03 3322698022.35937 340.10 353.7 -6.3 19.690 121.120 104.414 83.7 144.8 6.3 320 1334 C 11 H 5 A 0.440 101.440 20 334.2 16.0 1.277E-03 3322698026.93750 340.10 354.1 -5.9 19.690 121.130 104.422 84.2 140.0 5.8 320 1334 C 11 H 5 A 0.450 101.450 20 334.6 14.3 1.263E-03 3322698031.51562 340.10 354.5 -5.5 19.690 121.140 104.431 84.5 130.7 5.5 320 1334 C 11 H 5 A 0.460 101.460 20 334.5 13.0 1.233E-03 3322698036.10937 340.10 354.4 -5.6 19.690 121.150 104.440 84.3 124.1 5.7 320 1334 C 11 H 5 A 0.470 101.470 20 334.1 12.0 1.186E-03 3322698040.70312 340.10 354.0 -6.0 19.690 121.160 104.448 83.7 120.4 6.3 320 1334 C 11 H 5 A 0.480 101.480 20 333.7 10.9 1.156E-03 3322698045.29687 340.10 353.6 -6.4 19.690 121.170 104.457 83.2 117.0 6.8 320 1334 C 11 H 5 A 0.490 101.490 20 332.8 9.9 1.144E-03 3322698049.89062 340.10 352.7 -7.3 19.690 121.180 104.466 82.2 115.9 7.9 320 1334 C 11 H 5 A 0.500 101.500 20 332.8 8.9 1.153E-03 3322698054.48437 340.10 352.7 -7.3 19.690 121.190 104.474 81.9 112.6 8.1 320 1334 C 11 H 5 A 0.510 101.510 20 332.2 8.7 1.130E-03 3322698059.06250 340.10 352.1 -7.9 19.690 121.200 104.483 81.4 113.7 8.7 320 1334 C 11 H 5 A 0.520 101.520 20 331.2 8.3 1.134E-03 3322698063.65625 340.10 351.1 -8.9 19.690 121.210 104.491 80.4 115.2 9.6 320 1334 C 11 H 5 A 0.530 101.530 20 332.0 7.5 1.178E-03 3322698068.25000 340.10 351.9 -8.1 19.690 121.220 104.500 80.9 110.8 9.1 320 1334 C 11 H 5 A 0.540 101.540 20 331.4 7.7 1.128E-03 3322698072.84375 340.10 351.3 -8.7 19.690 121.230 104.509 80.4 113.0 9.6 320 1334 C 11 H 5 A 0.550 101.550 20 332.1 7.6 1.129E-03 3322698077.43750 340.10 352.0 -8.0 19.690 121.240 104.517 81.0 110.8 9.0 320 1334 C 11 H 5 A 0.560 101.560 20 333.4 7.4 1.122E-03 3322698082.01562 340.10 353.3 -6.7 19.690 121.250 104.526 82.1 105.7 7.9 320 1334 C 11 H 5 A 0.570 101.570 20 333.3 8.0 1.015E-03 3322698086.60937 340.10 353.2 -6.8 19.690 121.260 104.534 82.2 107.9 7.9 320 1334 C 11 H 5 A 0.580 101.580 20 334.8 8.3 9.396E-04 3322698091.20312 340.10 354.7 -5.3 19.690 121.270 104.543 83.5 102.3 6.5 320 1334 C 11 H 5 A 0.590 101.590 20 337.4 7.7 8.982E-04 3322698095.78125 340.10 357.3 -2.7 19.690 121.280 104.552 85.1 81.2 4.9 320 1334 C 11 H 5 A 0.600 101.600 20 340.2 7.1 8.418E-04 3322698100.37500 340.10 0.1 0.1 19.690 121.290 104.560 85.6 46.7 4.4 320 1334 C 11 H 5 A 0.610 101.610 20 341.9 6.5 7.728E-04 3322698104.96875 340.10 1.8 1.8 19.690 121.300 104.569 84.9 27.2 5.1 320 1334 C 11 H 5 A 0.620 101.620 20 342.6 5.8 7.031E-04 3322698109.54687 340.10 2.5 2.5 19.690 121.310 104.578 84.3 21.9 5.7 320 1334 C 11 H 5 A 0.630 101.630 20 342.9 4.9 6.545E-04 3322698114.14062 340.10 2.8 2.8 19.690 121.320 104.586 83.8 21.2 6.2 320 1334 C 11 H 5 A 0.640 101.640 20 341.8 4.6 5.683E-04 3322698118.73437 340.10 1.7 1.7 19.690 121.330 104.595 84.1 31.4 5.9 320 1334 C 11 H 5 A 0.650 101.650 20 339.0 4.6 5.140E-04 3322698123.32812 340.10 358.9 -1.1 19.690 121.340 104.603 84.2 59.0 5.8 320 1334 C 11 H 5 A 0.660 101.660 20 336.1 4.7 4.600E-04 3322698127.92187 340.10 356.0 -4.0 19.690 121.350 104.612 83.1 83.4 6.9 320 1334 C 11 H 5 A 0.670 101.670 20 331.8 5.2 4.096E-04 3322698132.51562 340.10 351.7 -8.3 19.690 121.360 104.621 80.1 105.3 9.9 320 1334 C 11 H 5 A 0.680 101.680 20 326.0 7.1 3.504E-04 3322698137.10937 340.10 345.9 -14.1 19.690 121.370 104.629 75.3 121.3 14.7 320 1334 C 11 H 5 A 0.690 101.690 20 325.5 8.3 3.360E-04 3322698141.70312 340.10 345.4 -14.6 19.690 121.380 104.638 75.0 124.1 15.0 320 1334 C 11 H 5 A 0.700 101.700 20 324.3 10.5 3.068E-04 3322698146.28125 340.10 344.2 -15.8 19.690 121.390 104.647 74.1 129.2 15.9 320 1334 C 11 H 5 A 0.710 101.710 20 325.0 12.2 3.022E-04 3322698150.87500 340.10 344.9 -15.1 19.690 121.400 104.655 74.9 132.0 15.1 320 1334 C 11 H 5 A 0.720 101.720 20 327.8 13.0 3.086E-04 3322698155.46875 340.10 347.7 -12.3 19.690 121.410 104.664 77.7 132.2 12.3 320 1334 C 11 H 5 A 0.730 101.730 20 331.1 12.8 3.437E-04 3322698160.04687 340.10 351.0 -9.0 19.690 121.420 104.672 80.9 129.0 9.1 320 1334 C 11 H 5 A 0.740 101.740 20 333.6 11.2 4.162E-04 3322698164.64062 340.10 353.5 -6.5 19.690 121.430 104.681 83.1 118.5 6.9 320 1334 C 11 H 5 A 0.750 101.750 20 334.7 10.6 4.808E-04 3322698169.23437 340.10 354.6 -5.4 19.690 121.440 104.690 84.0 112.0 6.0 320 1334 C 11 H 5 A 0.760 101.760 20 335.7 9.4 5.977E-04 3322698173.81250 340.10 355.6 -4.4 19.690 121.450 104.698 84.5 101.5 5.5 320 1334 C 11 H 5 A 0.770 101.770 20 336.8 8.3 7.403E-04 3322698178.40625 340.10 356.7 -3.3 19.690 121.460 104.707 85.0 88.8 5.0 320 1334 C 11 H 5 A 0.780 101.780 20 336.5 7.6 8.808E-04 3322698183.00000 340.10 356.4 -3.6 19.690 121.470 104.716 84.5 88.8 5.5 320 1334 C 11 H 5 A 0.790 101.790 20 336.5 7.2 1.021E-03 3322698187.59375 340.10 356.4 -3.6 19.690 121.480 104.724 84.3 87.5 5.7 320 1334 C 11 H 5 A 0.800 101.800 20 337.2 6.8 1.198E-03 3322698192.18750 340.10 357.1 -2.9 19.690 121.490 104.733 84.6 80.4 5.4 320 1334 C 11 H 5 A 0.810 101.810 20 336.5 6.9 1.283E-03 3322698196.78125 340.10 356.4 -3.6 19.690 121.500 104.741 84.2 86.5 5.8 320 1334 C 11 H 5 A 0.820 101.820 20 336.5 7.0 1.361E-03 3322698201.35937 340.10 356.4 -3.6 19.690 121.510 104.750 84.3 86.8 5.7 320 1334 C 11 H 5 A 0.830 101.830 20 336.9 7.0 1.414E-03 3322698205.95312 340.10 356.8 -3.2 19.690 121.520 104.759 84.5 83.6 5.5 320 1334 C 11 H 5 A 0.840 101.840 20 336.7 6.8 1.454E-03 3322698210.54687 340.10 356.6 -3.4 19.690 121.530 104.767 84.3 84.6 5.7 320 1334 C 11 H 5 A 0.850 101.850 20 337.2 6.7 1.444E-03 3322698215.14062 340.10 357.1 -2.9 19.690 121.540 104.776 84.5 80.1 5.5 320 1334 C 11 H 5 A 0.860 101.860 20 337.5 6.4 1.436E-03 3322698219.73437 340.10 357.4 -2.6 19.690 121.550 104.784 84.6 76.5 5.4 320 1334 C 11 H 5 A 0.870 101.870 20 336.9 6.2 1.398E-03 3322698224.31250 340.10 356.8 -3.2 19.690 121.560 104.793 84.2 81.3 5.8 320 1334 C 11 H 5 A 0.880 101.880 20 337.3 6.0 1.350E-03 3322698228.90625 340.10 357.2 -2.8 19.690 121.570 104.802 84.3 77.4 5.7 320 1334 C 11 H 5 A 0.890 101.890 20 338.1 5.6 1.317E-03 3322698233.48437 340.10 358.0 -2.0 19.690 121.580 104.810 84.4 69.1 5.6 320 1334 C 11 H 5 A 0.900 101.900 20 338.2 5.2 1.272E-03 3322698238.07812 340.10 358.1 -1.9 19.690 121.590 104.819 84.3 67.5 5.7 320 1334 C 11 H 5 A 0.910 101.910 20 339.4 4.7 1.231E-03 3322698242.67187 340.10 359.3 -0.7 19.690 121.600 104.828 84.3 55.1 5.7 320 1334 C 11 H 5 A 0.920 101.920 20 341.0 4.3 1.172E-03 3322698247.26562 340.10 0.9 0.9 19.690 121.610 104.836 84.1 39.3 5.9 320 1334 C 11 H 5 A 0.930 101.930 20 342.4 3.9 1.160E-03 3322698251.85937 340.10 2.3 2.3 19.690 121.620 104.845 83.5 27.2 6.5 320 1334 C 11 H 5 A 0.940 101.940 20 344.2 3.5 1.151E-03 3322698256.45312 340.10 4.1 4.1 19.690 121.630 104.853 82.5 14.7 7.5 320 1334 C 11 H 5 A 0.950 101.950 20 346.4 3.5 1.149E-03 3322698261.04687 340.10 6.3 6.3 19.690 121.640 104.862 81.2 2.6 8.9 320 1334 C 11 H 5 A 0.960 101.960 20 347.3 3.9 1.171E-03 3322698265.62500 340.10 7.2 7.2 19.690 121.650 104.871 80.6 357.8 9.4 320 1334 C 11 H 5 A 0.970 101.970 20 348.5 4.7 1.186E-03 3322698270.21875 340.10 8.4 8.4 19.690 121.660 104.879 79.9 351.6 10.1 320 1334 C 11 H 5 A 0.980 101.980 20 349.0 5.7 1.238E-03 3322698274.81250 340.10 8.9 8.9 19.690 121.670 104.888 79.8 347.7 10.2 320 1334 C 11 H 5 A 0.990 101.990 20 349.2 6.9 1.271E-03 3322698279.40625 340.10 9.1 9.1 19.690 121.680 104.897 79.9 344.1 10.1 320 1334 C 11 H 5 A 1.000 102.000 20 348.9 7.9 1.340E-03 3322698284.00000 340.10 8.8 8.8 19.690 121.690 104.905 80.4 342.3 9.6 320 1334 C 11 H 5 A 1.010 102.010 20 348.0 8.8 1.387E-03 3322698288.59375 340.10 7.9 7.9 19.690 121.700 104.914 81.4 342.0 8.6 320 1334 C 11 H 5 A 1.020 102.020 20 346.7 9.6 1.406E-03 3322698293.18750 340.10 6.6 6.6 19.690 121.710 104.922 82.7 343.4 7.3 320 1334 C 11 H 5 A 1.030 102.030 20 345.2 10.4 1.408E-03 3322698297.78125 340.10 5.1 5.1 19.690 121.720 104.931 84.2 346.3 5.8 320 1334 C 11 H 5 A 1.040 102.040 20 343.6 10.8 1.405E-03 3322698302.35937 340.10 3.5 3.5 19.690 121.730 104.940 85.7 354.1 4.3 320 1334 C 11 H 5 A 1.050 102.050 20 342.4 11.2 1.358E-03 3322698306.95312 340.10 2.3 2.3 19.690 121.740 104.948 86.7 3.7 3.3 320 1334 C 11 H 5 A 1.060 102.060 20 341.2 11.3 1.288E-03 3322698311.53125 340.10 1.1 1.1 19.690 121.750 104.957 87.5 22.5 2.5 320 1334 C 11 H 5 A 1.070 102.070 20 339.0 11.5 1.212E-03 3322698316.12500 340.10 358.9 -1.1 19.690 121.760 104.966 87.6 74.6 2.5 320 1334 C 11 H 5 A 1.080 102.080 20 339.2 11.0 1.119E-03 3322698320.71875 340.10 359.1 -0.9 19.690 121.770 104.974 87.4 68.1 2.6 320 1334 C 11 H 5 A 1.090 102.090 20 338.8 11.0 9.781E-04 3322698325.31250 340.10 358.7 -1.3 19.690 121.780 104.983 87.2 75.9 2.8 320 1334 C 11 H 5 A 1.100 102.100 20 337.7 10.6 8.548E-04 3322698329.90625 340.10 357.6 -2.4 19.690 121.790 104.991 86.4 90.1 3.6 320 1334 C 11 H 5 A 1.110 102.110 20 337.9 9.8 7.606E-04 3322698334.48437 340.10 357.8 -2.2 19.690 121.800 105.000 86.2 83.7 3.8 320 1334 C 11 H 5 A 1.120 102.120 20 335.6 10.1 6.172E-04 3322698339.07812 340.10 355.5 -4.5 19.690 121.810 105.009 84.7 105.2 5.3 320 1334 C 11 H 5 A 1.130 102.130 20 333.4 9.5 5.370E-04 3322698343.65625 340.10 353.3 -6.7 19.690 121.820 105.017 82.6 112.6 7.4 320 1334 C 11 H 5 A 1.140 102.140 20 332.8 8.5 4.789E-04 3322698348.25000 340.10 352.7 -7.3 19.690 121.830 105.026 81.8 111.3 8.2 320 1334 C 11 H 5 A 1.150 102.150 20 329.8 8.4 4.102E-04 3322698352.82812 340.10 349.7 -10.3 19.690 121.840 105.034 79.1 118.4 10.9 320 1334 C 11 H 5 A 1.160 102.160 20 328.3 7.3 3.998E-04 3322698357.42187 340.10 348.2 -11.8 19.690 121.850 105.043 77.5 118.4 12.5 320 1334 C 11 H 5 A 1.170 102.170 20 327.1 6.6 3.906E-04 3322698362.00000 340.10 347.0 -13.0 19.690 121.860 105.052 76.2 118.8 13.8 320 1334 C 11 H 5 A 1.180 102.180 20 325.9 6.2 3.948E-04 3322698366.59375 340.10 345.8 -14.2 19.690 121.870 105.060 75.1 119.7 15.0 320 1334 C 11 H 5 A 1.190 102.190 20 328.8 6.3 4.388E-04 3322698371.18750 340.10 348.7 -11.3 19.690 121.880 105.069 77.8 115.4 12.2 320 1334 C 11 H 5 A 1.200 102.200 20 328.7 7.1 4.761E-04 3322698375.78125 340.10 348.6 -11.4 19.690 121.890 105.078 77.8 117.3 12.2 320 1334 C 11 H 5 A 1.210 102.210 20 330.6 7.6 5.573E-04 3322698380.37500 340.10 350.5 -9.5 19.690 121.900 105.086 79.7 114.7 10.3 320 1334 C 11 H 5 A 1.220 102.220 20 332.0 8.0 6.337E-04 3322698384.96875 340.10 351.9 -8.1 19.690 121.910 105.095 81.0 112.2 9.0 320 1334 C 11 H 5 A 1.230 102.230 20 332.7 9.0 6.955E-04 3322698389.54687 340.10 352.6 -7.4 19.690 121.920 105.103 81.9 113.2 8.1 320 1334 C 11 H 5 A 1.240 102.240 20 334.8 8.8 8.012E-04 3322698394.14062 340.10 354.7 -5.3 19.690 121.930 105.112 83.6 104.2 6.4 320 1334 C 11 H 5 A 1.250 102.250 20 335.5 8.9 8.652E-04 3322698398.73437 340.10 355.4 -4.6 19.690 121.940 105.121 84.2 100.7 5.8 320 1334 C 11 H 5 A 1.260 102.260 20 337.1 8.8 9.230E-04 3322698403.32812 340.10 357.0 -3.0 19.690 121.950 105.129 85.4 88.0 4.7 320 1334 C 11 H 5 A 1.270 102.270 20 338.5 8.4 9.833E-04 3322698407.90625 340.10 358.4 -1.6 19.690 121.960 105.138 85.9 71.0 4.1 320 1334 C 11 H 5 A 1.280 102.280 20 340.5 7.6 1.041E-03 3322698412.50000 340.10 0.4 0.4 19.690 121.970 105.147 85.8 42.6 4.2 320 1334 C 11 H 5 A 1.290 102.290 20 341.4 7.2 1.074E-03 3322698417.09375 340.10 1.3 1.3 19.690 121.980 105.155 85.4 31.5 4.6 320 1334 C 11 H 5 A 1.300 102.300 20 342.8 6.5 1.110E-03 3322698421.68750 340.10 2.7 2.7 19.690 121.990 105.164 84.6 18.3 5.5 320 1334 C 11 H 5 A 1.310 102.310 20 343.3 6.0 1.145E-03 3322698426.26562 340.10 3.2 3.2 19.690 122.000 105.172 84.1 15.3 5.9 320 1334 C 11 H 5 A 1.320 102.320 20 342.7 5.2 1.192E-03 3322698430.85937 340.10 2.6 2.6 19.690 122.010 105.181 84.0 22.3 6.0 320 1334 C 11 H 5 A 1.330 102.330 20 343.2 4.2 1.261E-03 3322698435.45312 340.10 3.1 3.1 19.690 122.020 105.190 83.3 20.2 6.7 320 1334 C 11 H 5 A 1.340 102.340 20 342.2 3.1 1.366E-03 3322698440.04687 340.10 2.1 2.1 19.690 122.030 105.198 83.2 30.0 6.8 320 1334 C 11 H 5 A 1.350 102.350 20 342.1 2.0 1.482E-03 3322698444.64062 340.10 2.0 2.0 19.690 122.040 105.207 82.7 32.0 7.3 320 1334 C 11 H 5 A 1.360 102.360 20 341.6 -6.7 1.630E-03 3322698449.23437 340.10 1.5 1.5 19.690 122.050 105.216 78.5 40.5 11.5 320 1334 C 11 H 5 A 1.370 102.370 20 347.5 0.3 2.574E-03 3322698453.82812 340.10 7.4 7.4 19.690 122.060 105.224 79.2 4.5 10.8 320 1334 C 11 H 5 A 1.380 102.380 20 342.7 -0.7 1.993E-03 3322698458.40625 340.10 2.6 2.6 19.690 122.070 105.233 81.3 30.7 8.7 320 1334 C 11 H 5 A 1.390 102.390 20 343.7 -1.6 2.149E-03 3322698463.00000 340.10 3.6 3.6 19.690 122.080 105.241 80.5 25.7 9.5 320 1334 C 11 H 5 A 1.400 102.400 20 344.6 -2.5 2.307E-03 3322698467.59375 340.10 4.5 4.5 19.690 122.090 105.250 79.7 22.0 10.3 320 1334 C 11 H 5 A 1.410 102.410 20 345.6 -3.2 2.466E-03 3322698472.18750 340.10 5.5 5.5 19.690 122.100 105.259 78.9 18.1 11.1 320 1334 C 11 H 5 A 1.420 102.420 20 346.4 -3.8 2.567E-03 3322698476.78125 340.10 6.3 6.3 19.690 122.110 105.267 78.3 15.4 11.7 320 1334 C 11 H 5 A 1.430 102.430 20 347.6 -4.2 2.651E-03 3322698481.37500 340.10 7.5 7.5 19.690 122.120 105.276 77.4 11.2 12.6 320 1334 C 11 H 5 A 1.440 102.440 20 347.6 -4.4 2.695E-03 3322698485.96875 340.10 7.5 7.5 19.690 122.130 105.284 77.4 11.5 12.7 320 1334 C 11 H 6 A 0.075 102.575 20 345.0 3.2 2.081E-03 3322700389.79687 340.10 4.9 4.9 19.690 122.265 105.401 82.0 10.4 8.1 320 1334 C 11 H 6 A 0.100 102.600 20 345.2 3.5 2.026E-03 3322700394.73437 340.10 5.1 5.1 19.690 122.290 105.422 82.0 8.7 8.1 320 1334 C 11 H 6 A 0.125 102.625 20 344.6 3.8 1.738E-03 3322700399.65625 340.10 4.5 4.5 19.690 122.315 105.444 82.4 11.5 7.6 320 1334 C 11 H 6 A 0.150 102.650 20 344.1 3.7 1.385E-03 3322700404.59375 340.10 4.0 4.0 19.690 122.340 105.466 82.7 14.9 7.3 320 1334 C 11 H 6 A 0.175 102.675 20 321.3 8.5 4.566E-04 3322700409.53125 340.10 341.2 -18.8 19.690 122.365 105.487 70.9 127.9 19.1 320 1334 C 11 H 6 A 0.200 102.700 20 339.6 5.3 7.790E-04 3322700414.45312 340.10 359.5 -0.5 19.690 122.390 105.509 84.6 53.4 5.4 320 1334 C 11 H 6 A 0.225 102.725 20 336.0 6.7 8.019E-04 3322700419.39062 340.10 355.9 -4.1 19.690 122.415 105.530 83.8 89.6 6.2 320 1334 C 11 H 6 A 0.250 102.750 20 334.9 7.7 9.279E-04 3322700424.31250 340.10 354.8 -5.2 19.690 122.440 105.552 83.4 99.7 6.6 320 1334 C 11 H 6 A 0.275 102.775 20 336.6 7.6 1.214E-03 3322700429.25000 340.10 356.5 -3.5 19.690 122.465 105.573 84.6 88.0 5.4 320 1334 C 11 H 6 A 0.300 102.800 20 337.8 6.9 1.461E-03 3322700434.17187 340.10 357.7 -2.3 19.690 122.490 105.595 84.9 74.9 5.1 320 1334 C 11 H 6 A 0.325 102.825 20 339.3 5.4 1.633E-03 3322700439.10937 340.10 359.2 -0.8 19.690 122.515 105.616 84.7 56.6 5.4 320 1334 C 11 H 6 A 0.350 102.850 20 339.2 3.9 1.679E-03 3322700444.03125 340.10 359.1 -0.9 19.690 122.540 105.638 83.9 56.5 6.1 320 1334 C 11 H 6 A 0.375 102.875 20 337.8 3.5 1.724E-03 3322700448.96875 340.10 357.7 -2.3 19.690 122.565 105.659 83.4 68.3 6.7 320 1334 C 11 H 6 A 0.400 102.900 20 341.9 3.8 2.150E-03 3322700453.90625 340.10 1.8 1.8 19.690 122.590 105.681 83.6 31.6 6.4 320 1334 C 11 H 6 A 0.425 102.925 20 343.3 6.2 1.962E-03 3322700458.82812 340.10 3.2 3.2 19.690 122.615 105.703 84.2 14.8 5.8 320 1334 C 11 H 6 A 0.450 102.950 20 345.8 13.4 1.830E-03 3322700463.76562 340.10 5.7 5.7 19.690 122.640 105.724 84.2 329.7 5.8 320 1334 C 11 H 6 A 0.475 102.975 20 345.7 14.1 1.437E-03 3322700468.68750 340.10 5.6 5.6 19.690 122.665 105.746 84.4 326.3 5.6 320 1334 C 11 H 6 A 0.500 103.000 20 342.1 19.0 1.099E-03 3322700473.62500 340.10 2.0 2.0 19.690 122.690 105.767 87.4 276.1 2.7 320 1334 C 11 H 6 A 0.525 103.025 20 332.9 28.0 8.050E-04 3322700478.54687 340.10 352.8 -7.2 19.690 122.715 105.789 80.1 183.0 9.9 320 1334 C 11 H 6 A 0.550 103.050 20 335.9 23.1 9.469E-04 3322700483.48437 340.10 355.8 -4.2 19.690 122.740 105.810 84.2 182.7 5.8 320 1334 C 11 H 6 A 0.575 103.075 20 333.5 22.5 8.645E-04 3322700488.42187 340.10 353.4 -6.6 19.690 122.765 105.832 82.5 168.2 7.5 320 1334 C 11 H 6 A 0.600 103.100 20 334.0 20.7 7.758E-04 3322700493.35937 340.10 353.9 -6.1 19.690 122.790 105.853 83.4 162.7 6.6 320 1334 C 11 H 6 A 0.625 103.125 20 333.8 15.9 8.208E-04 3322700498.28125 340.10 353.7 -6.3 19.690 122.815 105.875 83.8 139.4 6.2 320 1334 C 11 H 6 A 0.650 103.150 20 334.7 10.2 1.086E-03 3322700503.21875 340.10 354.6 -5.4 19.690 122.840 105.897 83.9 110.3 6.1 320 1334 C 11 H 6 A 0.675 103.175 20 335.0 8.6 1.276E-03 3322700508.15625 340.10 354.9 -5.1 19.690 122.865 105.918 83.7 102.4 6.3 320 1334 C 11 H 6 A 0.700 103.200 20 335.9 8.9 1.262E-03 3322700513.09375 340.10 355.8 -4.2 19.690 122.890 105.940 84.5 98.1 5.5 320 1334 C 11 H 6 A 0.725 103.225 20 338.9 10.1 1.060E-03 3322700518.01562 340.10 358.8 -1.2 19.690 122.915 105.961 86.9 70.4 3.2 320 1334 C 11 H 6 A 0.750 103.250 20 342.2 10.3 8.852E-04 3322700522.95312 340.10 2.1 2.1 19.690 122.940 105.983 86.5 11.3 3.5 320 1334 C 11 H 6 A 0.775 103.275 20 344.3 8.0 8.413E-04 3322700527.89062 340.10 4.2 4.2 19.690 122.965 106.004 84.2 1.4 5.8 320 1334 C 11 H 6 A 0.800 103.300 20 342.8 4.7 8.825E-04 3322700532.81250 340.10 2.7 2.7 19.690 122.990 106.026 83.8 22.4 6.3 320 1334 C 11 H 6 A 0.825 103.325 20 339.6 4.0 9.486E-04 3322700537.75000 340.10 359.5 -0.5 19.690 123.015 106.047 84.0 52.8 6.0 320 1334 C 11 H 6 A 0.850 103.350 20 337.8 5.4 9.589E-04 3322700542.68750 340.10 357.7 -2.3 19.690 123.040 106.069 84.2 71.5 5.8 320 1334 C 11 H 6 A 0.875 103.375 20 335.7 6.5 8.935E-04 3322700547.60937 340.10 355.6 -4.4 19.690 123.065 106.091 83.6 91.0 6.5 320 1334 C 11 H 6 A 0.900 103.400 20 335.3 5.8 8.293E-04 3322700552.54687 340.10 355.2 -4.8 19.690 123.090 106.112 83.0 91.5 7.0 320 1334 C 11 H 6 A 0.925 103.425 20 334.4 4.3 7.660E-04 3322700557.48437 340.10 354.3 -5.7 19.690 123.115 106.134 81.9 92.5 8.2 320 1334 C 11 H 7 A 0.075 103.575 20 334.0 7.4 7.501E-04 3322701289.37500 340.10 353.9 -6.1 19.690 123.265 106.263 82.6 103.2 7.4 320 1334 C 11 H 7 A 0.100 103.600 20 333.9 9.0 5.910E-04 3322701294.29687 340.10 353.8 -6.2 19.690 123.290 106.284 82.9 109.0 7.1 320 1334 C 11 H 7 A 0.125 103.625 20 337.7 8.8 4.820E-04 3322701299.23437 340.10 357.6 -2.4 19.690 123.315 106.306 85.7 81.9 4.3 320 1334 C 11 H 7 A 0.150 103.650 20 337.1 9.1 4.599E-04 3322701304.15625 340.10 357.0 -3.0 19.690 123.340 106.328 85.5 89.3 4.5 320 1334 C 11 H 7 A 0.175 103.675 20 335.3 8.5 5.657E-04 3322701309.09375 340.10 355.2 -4.8 19.690 123.365 106.349 84.0 100.3 6.1 320 1334 C 11 H 7 A 0.200 103.700 20 336.5 7.9 7.176E-04 3322701314.03125 340.10 356.4 -3.6 19.690 123.390 106.371 84.6 89.8 5.4 320 1334 C 11 H 7 A 0.225 103.725 20 337.2 7.7 8.496E-04 3322701318.95312 340.10 357.1 -2.9 19.690 123.415 106.392 85.0 83.1 5.0 320 1334 C 11 H 7 A 0.250 103.750 20 338.6 7.8 9.085E-04 3322701323.89062 340.10 358.5 -1.5 19.690 123.440 106.414 85.7 68.2 4.4 320 1334 C 11 H 7 A 0.275 103.775 20 342.8 6.5 1.145E-03 3322701328.82812 340.10 2.7 2.7 19.690 123.465 106.435 84.6 18.3 5.5 320 1334 C 11 H 7 A 0.300 103.800 20 339.8 7.2 1.009E-03 3322701333.75000 340.10 359.7 -0.3 19.690 123.490 106.457 85.6 51.9 4.4 320 1334 C 11 H 7 A 0.325 103.825 20 339.5 6.1 9.773E-04 3322701338.68750 340.10 359.4 -0.6 19.690 123.515 106.478 85.0 55.0 5.0 320 1334 C 11 H 7 A 0.350 103.850 20 339.8 5.1 9.072E-04 3322701343.62500 340.10 359.7 -0.3 19.690 123.540 106.500 84.6 51.2 5.5 320 1334 C 11 H 7 A 0.375 103.875 20 340.3 4.0 8.320E-04 3322701348.56250 340.10 0.2 0.2 19.690 123.565 106.522 84.0 46.1 6.0 320 1334 C 11 H 7 A 0.400 103.900 20 342.4 3.8 8.079E-04 3322701353.48437 340.10 2.3 2.3 19.690 123.590 106.543 83.5 27.3 6.5 320 1334 C 11 H 7 A 0.425 103.925 20 344.1 4.6 8.008E-04 3322701358.42187 340.10 4.0 4.0 19.690 123.615 106.565 83.1 12.9 7.0 320 1334 C 11 H 7 A 0.450 103.950 20 346.1 5.8 8.642E-04 3322701363.35937 340.10 6.0 6.0 19.690 123.640 106.586 82.2 358.2 7.9 320 1334 C 11 H 7 A 0.475 103.975 20 346.5 7.0 9.682E-04 3322701368.28125 340.10 6.4 6.4 19.690 123.665 106.608 82.2 352.8 7.8 320 1334 C 11 H 7 A 0.500 104.000 20 342.9 10.1 1.038E-03 3322701373.21875 340.10 2.8 2.8 19.690 123.690 106.629 86.0 4.2 4.0 320 1334 C 11 H 7 A 0.525 104.025 20 340.4 12.5 1.092E-03 3322701378.15625 340.10 0.3 0.3 19.690 123.715 106.651 88.3 37.9 1.7 320 1334 C 11 H 7 A 0.550 104.050 20 340.2 13.2 1.088E-03 3322701383.07812 340.10 0.1 0.1 19.690 123.740 106.672 88.7 43.7 1.3 320 1334 C 11 H 7 A 0.575 104.075 20 343.6 11.1 1.098E-03 3322701388.01562 340.10 3.5 3.5 19.690 123.765 106.694 85.8 352.4 4.2 320 1334 C 11 H 7 A 0.600 104.100 20 345.7 8.8 1.104E-03 3322701392.95312 340.10 5.6 5.6 19.690 123.790 106.716 83.4 350.4 6.6 320 1334 C 11 H 7 A 0.625 104.125 20 346.6 7.4 1.073E-03 3322701397.87500 340.10 6.5 6.5 19.690 123.815 106.737 82.2 351.2 7.8 320 1334 C 11 H 7 A 0.650 104.150 20 345.0 7.1 9.667E-04 3322701402.79687 340.10 4.9 4.9 19.690 123.840 106.759 83.4 0.1 6.6 320 1334 C 11 H 7 A 0.675 104.175 20 346.0 8.3 8.991E-04 3322701407.73437 340.10 5.9 5.9 19.690 123.865 106.780 83.0 350.8 7.0 320 1334 C 11 H 7 A 0.700 104.200 20 348.4 10.7 8.135E-04 3322701412.65625 340.10 8.3 8.3 19.690 123.890 106.802 81.4 335.0 8.6 320 1334 C 11 H 7 A 0.725 104.225 20 348.1 10.1 7.997E-04 3322701417.59375 340.10 8.0 8.0 19.690 123.915 106.823 81.5 337.7 8.5 320 1334 C 11 H 7 A 0.750 104.250 20 345.4 6.5 8.315E-04 3322701422.53125 340.10 5.3 5.3 19.690 123.940 106.845 82.9 359.7 7.1 320 1334 C 11 H 7 A 0.775 104.275 20 344.6 3.2 9.493E-04 3322701427.45312 340.10 4.5 4.5 19.690 123.965 106.866 82.2 12.8 7.8 320 1334 C 11 H 7 A 0.800 104.300 20 345.7 1.7 1.079E-03 3322701432.39062 340.10 5.6 5.6 19.690 123.990 106.888 80.9 9.8 9.1 320 1334 C 12 H 1 A 0.150 104.650 20 33.5 29.5 8.671E-04 3322702173.01562 221.50 172.0 172.0 22.750 127.400 109.828 -64.9 246.4 154.9 320 1334 C 12 H 1 A 0.175 104.675 20 35.3 33.1 1.391E-03 3322702177.93750 221.50 173.8 173.8 22.750 127.425 109.849 -63.2 241.2 153.2 320 1334 C 12 H 1 A 0.200 104.700 20 47.6 18.5 1.885E-03 3322702182.87500 221.50 186.1 186.1 22.750 127.450 109.871 -71.5 208.8 161.5 320 1334 C 12 H 1 A 0.225 104.725 20 34.4 21.6 1.697E-03 3322702187.79687 221.50 172.9 172.9 22.750 127.475 109.892 -69.5 248.3 159.5 320 1334 C 12 H 1 A 0.250 104.750 20 32.6 21.4 1.656E-03 3322702192.73437 221.50 171.1 171.1 22.750 127.500 109.914 -69.0 253.0 159.0 320 1334 C 12 H 1 A 0.275 104.775 20 30.9 22.3 1.513E-03 3322702197.65625 221.50 169.4 169.4 22.750 127.525 109.935 -67.8 256.5 157.8 320 1334 C 12 H 1 A 0.300 104.800 20 29.2 22.2 1.457E-03 3322702202.59375 221.50 167.7 167.7 22.750 127.550 109.957 -67.0 260.3 157.0 320 1334 C 12 H 1 A 0.325 104.825 20 28.0 20.3 1.531E-03 3322702207.53125 221.50 166.5 166.5 22.750 127.575 109.978 -67.2 264.3 157.2 320 1334 C 12 H 1 A 0.350 104.850 20 27.2 18.1 1.653E-03 3322702212.45312 221.50 165.7 165.7 22.750 127.600 110.000 -67.6 267.8 157.6 320 1334 C 12 H 1 A 0.375 104.875 20 25.2 17.3 1.656E-03 3322702217.39062 221.50 163.7 163.7 22.750 127.625 110.022 -66.6 272.3 156.6 320 1334 C 12 H 1 A 0.400 104.900 20 22.8 18.5 1.508E-03 3322702222.31250 221.50 161.3 161.3 22.750 127.650 110.043 -64.4 275.2 154.4 320 1334 C 12 H 1 A 0.425 104.925 20 21.8 22.8 1.223E-03 3322702227.25000 221.50 160.3 160.3 22.750 127.675 110.065 -62.1 272.9 152.1 320 1334 C 12 H 1 A 0.450 104.950 20 19.4 24.3 1.149E-03 3322702232.17187 221.50 157.9 157.9 22.750 127.700 110.086 -59.8 274.9 149.8 320 1334 C 12 H 1 A 0.475 104.975 20 18.7 22.8 1.228E-03 3322702237.10937 221.50 157.2 157.2 22.750 127.725 110.108 -59.9 277.1 149.9 320 1334 C 12 H 1 A 0.500 105.000 20 20.2 19.6 1.383E-03 3322702242.04687 221.50 158.7 158.7 22.750 127.750 110.129 -62.1 277.9 152.1 320 1334 C 12 H 1 A 0.525 105.025 20 22.0 16.3 1.543E-03 3322702246.98437 221.50 160.5 160.5 22.750 127.775 110.151 -64.6 278.4 154.6 320 1334 C 12 H 1 A 0.550 105.050 20 23.1 12.8 1.705E-03 3322702251.90625 221.50 161.6 161.6 22.750 127.800 110.172 -66.6 280.3 156.6 320 1334 C 12 H 1 A 0.575 105.075 20 23.3 4.8 1.856E-03 3322702256.84375 221.50 161.8 161.8 22.750 127.825 110.194 -69.1 288.9 159.1 320 1334 C 12 H 1 A 0.600 105.100 20 23.3 7.2 1.876E-03 3322702261.78125 221.50 161.8 161.8 22.750 127.850 110.216 -68.5 286.1 158.5 320 1334 C 12 H 1 A 0.625 105.125 20 22.0 6.0 1.793E-03 3322702266.71875 221.50 160.5 160.5 22.750 127.875 110.237 -67.7 289.3 157.7 320 1334 C 12 H 1 A 0.650 105.150 20 21.3 6.1 1.489E-03 3322702271.64062 221.50 159.8 159.8 22.750 127.900 110.259 -67.0 290.0 157.0 320 1334 C 12 H 1 A 0.675 105.175 20 23.1 6.6 1.193E-03 3322702276.57812 221.50 161.6 161.6 22.750 127.925 110.280 -68.4 287.1 158.4 320 1334 C 12 H 1 A 0.700 105.200 20 26.8 8.4 9.235E-04 3322702281.51562 221.50 165.3 165.3 22.750 127.950 110.302 -70.9 278.7 160.9 320 1334 C 12 H 1 A 0.725 105.225 20 26.8 10.5 8.107E-04 3322702286.43750 221.50 165.3 165.3 22.750 127.975 110.323 -70.2 276.3 160.2 320 1334 C 12 H 1 A 0.750 105.250 20 20.8 11.7 7.899E-04 3322702291.37500 221.50 159.3 159.3 22.750 128.000 110.345 -65.1 284.7 155.1 320 1334 C 12 H 1 A 0.775 105.275 20 18.2 13.1 7.761E-04 3322702296.31250 221.50 156.7 156.7 22.750 128.025 110.366 -62.5 286.5 152.5 320 1334 C 12 H 1 A 0.800 105.300 20 16.0 14.5 7.732E-04 3322702301.23437 221.50 154.5 154.5 22.750 128.050 110.388 -60.3 287.5 150.3 320 1334 C 12 H 1 A 0.825 105.325 20 15.9 16.2 7.430E-04 3322702306.17187 221.50 154.4 154.4 22.750 128.075 110.409 -59.7 286.1 149.7 320 1334 C 12 H 1 A 0.850 105.350 20 18.8 17.1 7.524E-04 3322702311.10937 221.50 157.3 157.3 22.750 128.100 110.431 -61.9 282.0 151.9 320 1334 C 12 H 1 A 0.875 105.375 20 23.2 16.1 8.500E-04 3322702316.03125 221.50 161.7 161.7 22.750 128.125 110.453 -65.6 276.8 155.6 320 1334 C 12 H 1 A 0.900 105.400 20 25.3 15.3 9.435E-04 3322702320.96875 221.50 163.8 163.8 22.750 128.150 110.474 -67.4 274.1 157.4 320 1334 C 12 H 1 A 0.925 105.425 20 25.5 13.0 1.101E-03 3322702325.90625 221.50 164.0 164.0 22.750 128.175 110.496 -68.4 276.0 158.4 320 1334 C 12 H 1 A 0.950 105.450 20 26.6 11.3 1.190E-03 3322702330.82812 221.50 165.1 165.1 22.750 128.200 110.517 -69.8 275.8 159.8 320 1334 C 12 H 1 A 0.975 105.475 20 27.4 9.4 1.257E-03 3322702335.76562 221.50 165.9 165.9 22.750 128.225 110.539 -71.0 276.3 161.0 320 1334 C 12 H 1 A 1.000 105.500 20 27.8 8.3 1.268E-03 3322702340.70312 221.50 166.3 166.3 22.750 128.250 110.560 -71.7 276.8 161.7 320 1334 C 12 H 1 A 1.025 105.525 20 27.8 8.4 1.205E-03 3322702345.62500 221.50 166.3 166.3 22.750 128.275 110.582 -71.7 276.7 161.7 320 1334 C 12 H 1 A 1.050 105.550 20 26.7 9.8 1.102E-03 3322702350.56250 221.50 165.2 165.2 22.750 128.300 110.603 -70.4 277.3 160.4 320 1334 C 12 H 1 A 1.075 105.575 20 25.6 12.5 9.395E-04 3322702355.50000 221.50 164.1 164.1 22.750 128.325 110.625 -68.6 276.4 158.6 320 1334 C 12 H 1 A 1.100 105.600 20 28.6 15.4 7.698E-04 3322702360.42187 221.50 167.1 167.1 22.750 128.350 110.647 -69.6 267.4 159.6 320 1334 C 12 H 1 A 1.125 105.625 20 29.2 15.8 6.710E-04 3322702365.35937 221.50 167.7 167.7 22.750 128.375 110.668 -69.8 265.7 159.8 320 1334 C 12 H 1 A 1.150 105.650 20 29.8 15.3 6.103E-04 3322702370.28125 221.50 168.3 168.3 22.750 128.400 110.690 -70.4 264.8 160.4 320 1334 C 12 H 1 A 1.175 105.675 20 29.8 16.7 5.036E-04 3322702375.21875 221.50 168.3 168.3 22.750 128.425 110.711 -69.8 263.5 159.8 320 1334 C 12 H 1 A 1.200 105.700 20 27.5 22.2 3.676E-04 3322702380.15625 221.50 166.0 166.0 22.750 128.450 110.733 -66.0 263.7 156.0 320 1334 C 12 H 1 A 1.225 105.725 20 27.4 30.8 2.701E-04 3322702385.09375 221.50 165.9 165.9 22.750 128.475 110.754 -61.7 257.6 151.7 320 1334 C 12 H 1 A 1.250 105.750 20 27.6 44.2 2.026E-04 3322702390.01562 221.50 166.1 166.1 22.750 128.500 110.776 -53.5 249.3 143.5 320 1334 C 12 H 1 A 1.275 105.775 20 177.0 10.0 8.424E-04 3322702394.95312 221.50 315.5 -44.5 22.750 128.525 110.797 45.7 137.1 44.3 320 1334 C 12 H 1 A 1.300 105.800 20 267.5 27.2 3.151E-04 3322702399.89062 221.50 46.0 46.0 22.750 128.550 110.819 44.5 305.7 45.5 320 1334 C 12 H 1 A 1.325 105.825 20 175.7 64.2 1.555E-04 3322702404.81250 221.50 314.2 -45.8 22.750 128.575 110.841 35.5 190.3 54.6 320 1334 C 12 H 1 A 1.350 105.850 20 155.3 71.3 1.457E-04 3322702409.75000 221.50 293.8 -66.2 22.750 128.600 110.862 19.8 195.0 70.2 320 1334 C 12 H 1 A 1.375 105.875 20 62.1 71.6 1.428E-04 3322702414.67187 221.50 200.6 200.6 22.750 128.625 110.884 -23.4 215.8 113.4 320 1334 C 12 H 1 A 1.400 105.900 20 50.0 61.6 1.650E-04 3322702419.60937 221.50 188.5 188.5 22.750 128.650 110.905 -38.7 220.0 128.7 320 1334 C 12 H 1 A 1.425 105.925 20 32.5 44.7 2.253E-04 3322702424.54687 221.50 171.0 171.0 22.750 128.675 110.927 -54.6 242.0 144.6 320 1334 C 12 H 2 A 0.075 106.075 20 35.9 10.5 7.944E-04 3322703208.73437 221.50 174.4 174.4 22.750 128.825 111.056 -75.6 251.0 165.6 320 1334 C 12 H 2 A 0.100 106.100 20 36.4 14.3 7.034E-04 3322703213.65625 221.50 174.9 174.9 22.750 128.850 111.078 -73.9 246.6 163.9 320 1334 C 12 H 2 A 0.125 106.125 20 33.1 14.8 6.430E-04 3322703218.59375 221.50 171.6 171.6 22.750 128.875 111.099 -72.4 256.6 162.4 320 1334 C 12 H 2 A 0.150 106.150 20 27.8 13.2 6.459E-04 3322703223.53125 221.50 166.3 166.3 22.750 128.900 111.121 -69.9 271.3 159.9 320 1334 C 12 H 2 A 0.175 106.175 20 24.7 11.1 7.427E-04 3322703228.45312 221.50 163.2 163.2 22.750 128.925 111.142 -68.4 279.5 158.4 320 1334 C 12 H 2 A 0.200 106.200 20 13.6 4.8 1.567E-03 3322703233.39062 221.50 152.1 152.1 22.750 128.950 111.164 -60.3 298.7 150.3 320 1334 C 12 H 2 A 0.225 106.225 20 25.5 4.7 1.127E-03 3322703238.31250 221.50 164.0 164.0 22.750 128.975 111.185 -71.0 285.7 161.0 320 1334 C 12 H 2 A 0.250 106.250 20 28.6 2.1 1.246E-03 3322703243.25000 221.50 167.1 167.1 22.750 129.000 111.207 -74.3 283.5 164.3 320 1334 C 12 H 2 A 0.275 106.275 20 31.1 0.8 1.335E-03 3322703248.17187 221.50 169.6 169.6 22.750 129.025 111.228 -76.7 279.5 166.7 320 1334 C 12 H 2 A 0.300 106.300 20 33.3 1.1 1.363E-03 3322703253.10937 221.50 171.8 171.8 22.750 129.050 111.250 -78.2 272.1 168.2 320 1334 C 12 H 2 A 0.325 106.325 20 35.6 2.3 1.338E-03 3322703258.03125 221.50 174.1 174.1 22.750 129.075 111.272 -79.1 261.0 169.1 320 1334 C 12 H 2 A 0.350 106.350 20 49.3 3.1 1.699E-03 3322703262.96875 221.50 187.8 187.8 22.750 129.100 111.293 -77.7 188.5 167.7 320 1334 C 12 H 2 A 0.375 106.375 20 38.9 4.8 1.582E-03 3322703267.90625 221.50 177.4 177.4 22.750 129.125 111.315 -79.3 242.1 169.3 320 1334 C 12 H 2 A 0.400 106.400 20 38.7 6.2 1.746E-03 3322703272.82812 221.50 177.2 177.2 22.750 129.150 111.336 -78.6 242.2 168.6 320 1334 C 12 H 2 A 0.425 106.425 20 37.6 7.3 1.769E-03 3322703277.76562 221.50 176.1 176.1 22.750 129.175 111.358 -77.7 246.6 167.7 320 1334 C 12 H 2 A 0.450 106.450 20 33.8 7.9 1.768E-03 3322703282.70312 221.50 172.3 172.3 22.750 129.200 111.379 -75.8 261.0 165.8 320 1334 C 12 H 2 A 0.475 106.475 20 31.5 8.0 1.744E-03 3322703287.62500 221.50 170.0 170.0 22.750 129.225 111.401 -74.4 268.1 164.4 320 1334 C 12 H 2 A 0.500 106.500 20 30.5 8.0 1.632E-03 3322703292.56250 221.50 169.0 169.0 22.750 129.250 111.422 -73.7 270.8 163.7 320 1334 C 12 H 2 A 0.525 106.525 20 30.4 8.3 1.438E-03 3322703297.50000 221.50 168.9 168.9 22.750 129.275 111.444 -73.6 270.7 163.6 320 1334 C 12 H 2 A 0.550 106.550 20 28.4 9.1 1.126E-03 3322703302.42187 221.50 166.9 166.9 22.750 129.300 111.466 -71.9 274.6 161.9 320 1334 C 12 H 2 A 0.575 106.575 20 24.9 10.0 8.962E-04 3322703307.35937 221.50 163.4 163.4 22.750 129.325 111.487 -68.9 280.3 158.9 320 1334 C 12 H 2 A 0.600 106.600 20 21.8 13.9 6.497E-04 3322703312.28125 221.50 160.3 160.3 22.750 129.350 111.509 -65.3 281.1 155.3 320 1334 C 12 H 2 A 0.625 106.625 20 21.1 17.2 5.508E-04 3322703317.21875 221.50 159.6 159.6 22.750 129.375 111.530 -63.6 278.9 153.6 320 1334 C 12 H 2 A 0.650 106.650 20 23.0 20.2 4.795E-04 3322703322.15625 221.50 161.5 161.5 22.750 129.400 111.552 -64.0 273.3 154.0 320 1334 C 12 H 2 A 0.675 106.675 20 25.3 18.7 4.707E-04 3322703327.07812 221.50 163.8 163.8 22.750 129.425 111.573 -66.1 270.8 156.1 320 1334 C 12 H 2 A 0.700 106.700 20 26.9 15.8 4.796E-04 3322703332.01562 221.50 165.4 165.4 22.750 129.450 111.595 -68.3 270.6 158.3 320 1334 C 12 H 2 A 0.725 106.725 20 30.3 12.2 5.056E-04 3322703336.93750 221.50 168.8 168.8 22.750 129.475 111.616 -72.0 266.6 162.0 320 1334 C 12 H 2 A 0.750 106.750 20 31.6 7.0 6.069E-04 3322703341.87500 221.50 170.1 170.1 22.750 129.500 111.638 -74.8 269.0 164.8 320 1334 C 12 H 2 A 0.775 106.775 20 32.1 1.6 7.297E-04 3322703346.81250 221.50 170.6 170.6 22.750 129.525 111.659 -77.1 275.3 167.1 320 1334 C 12 H 2 A 0.800 106.800 20 32.3 -1.1 8.909E-04 3322703351.73437 221.50 170.8 170.8 22.750 129.550 111.681 -78.2 279.4 168.2 320 1334 C 12 H 2 A 0.825 106.825 20 33.8 -1.0 1.012E-03 3322703356.67187 221.50 172.3 172.3 22.750 129.575 111.703 -79.3 274.1 169.3 320 1334 C 12 H 2 A 0.850 106.850 20 33.6 0.3 1.111E-03 3322703361.60937 221.50 172.1 172.1 22.750 129.600 111.724 -78.7 272.4 168.7 320 1334 C 12 H 2 A 0.875 106.875 20 33.6 2.6 1.180E-03 3322703366.53125 221.50 172.1 172.1 22.750 129.625 111.746 -77.8 268.6 167.8 320 1334 C 12 H 2 A 0.900 106.900 20 32.6 5.2 1.107E-03 3322703371.46875 221.50 171.1 171.1 22.750 129.650 111.767 -76.2 268.3 166.2 320 1334 C 12 H 2 A 0.925 106.925 20 32.6 8.7 8.849E-04 3322703376.40625 221.50 171.1 171.1 22.750 129.675 111.789 -74.8 264.0 164.8 320 1334 C 12 H 2 A 0.950 106.950 20 31.1 11.6 6.811E-04 3322703381.32812 221.50 169.6 169.6 22.750 129.700 111.810 -72.7 265.2 162.7 320 1334 C 12 H 2 A 0.975 106.975 20 28.4 14.1 5.018E-04 3322703386.26562 221.50 166.9 166.9 22.750 129.725 111.832 -70.0 269.1 160.0 320 1334 C 12 H 2 A 1.000 107.000 20 21.6 13.5 4.438E-04 3322703391.18750 221.50 160.1 160.1 22.750 129.750 111.853 -65.2 281.8 155.2 320 1334 C 12 H 2 A 1.025 107.025 20 15.1 10.0 4.588E-04 3322703396.12500 221.50 153.6 153.6 22.750 129.775 111.875 -60.6 292.5 150.6 320 1334 C 12 H 2 A 1.050 107.050 20 17.8 5.9 5.573E-04 3322703401.04687 221.50 156.3 156.3 22.750 129.800 111.897 -63.9 294.1 153.9 320 1334 C 12 H 2 A 1.075 107.075 20 26.5 3.4 7.399E-04 3322703405.98437 221.50 165.0 165.0 22.750 129.825 111.918 -72.2 285.7 162.2 320 1334 C 12 H 2 A 1.100 107.100 20 31.0 2.7 9.755E-04 3322703410.90625 221.50 169.5 169.5 22.750 129.850 111.940 -76.0 276.7 166.0 320 1334 C 12 H 2 A 1.125 107.125 20 35.0 2.3 1.128E-03 3322703415.84375 221.50 173.5 173.5 22.750 129.875 111.961 -78.8 263.6 168.8 320 1334 C 12 H 2 A 1.150 107.150 20 36.3 2.2 1.150E-03 3322703420.78125 221.50 174.8 174.8 22.750 129.900 111.983 -79.5 257.9 169.5 320 1334 C 12 H 2 A 1.175 107.175 20 35.3 3.0 1.056E-03 3322703425.71875 221.50 173.8 173.8 22.750 129.925 112.004 -78.7 261.3 168.7 320 1334 C 12 H 2 A 1.200 107.200 20 34.7 6.0 8.205E-04 3322703430.64062 221.50 173.2 173.2 22.750 129.950 112.026 -77.1 259.9 167.1 320 1334 C 12 H 2 A 1.225 107.225 20 30.3 9.6 6.618E-04 3322703435.57812 221.50 168.8 168.8 22.750 129.975 112.047 -73.0 269.4 163.0 320 1334 C 12 H 2 A 1.250 107.250 20 27.0 14.2 5.418E-04 3322703440.51562 221.50 165.5 165.5 22.750 130.000 112.069 -69.0 271.9 159.0 320 1334 C 12 H 2 A 1.275 107.275 20 26.4 15.8 5.311E-04 3322703445.43750 221.50 164.9 164.9 22.750 130.025 112.091 -68.0 271.5 158.0 320 1334 C 12 H 2 A 1.300 107.300 20 31.7 13.3 5.874E-04 3322703450.37500 221.50 170.2 170.2 22.750 130.050 112.112 -72.3 261.8 162.3 320 1334 C 12 H 2 A 1.325 107.325 20 34.1 8.7 6.410E-04 3322703455.29687 221.50 172.6 172.6 22.750 130.075 112.134 -75.6 259.1 165.6 320 1334 C 12 H 2 A 1.350 107.350 20 32.1 3.7 7.137E-04 3322703460.23437 221.50 170.6 170.6 22.750 130.100 112.155 -76.4 272.0 166.4 320 1334 C 12 H 2 A 1.375 107.375 20 27.7 2.6 7.506E-04 3322703465.15625 221.50 166.2 166.2 22.750 130.125 112.177 -73.4 284.6 163.4 320 1334 C 12 H 2 A 1.400 107.400 20 24.2 5.3 7.094E-04 3322703470.09375 221.50 162.7 162.7 22.750 130.150 112.198 -69.7 287.0 159.7 320 1334 C 12 H 2 A 1.425 107.425 20 23.1 7.6 6.694E-04 3322703475.03125 221.50 161.6 161.6 22.750 130.175 112.220 -68.2 285.9 158.2 320 1334 C 12 H 3 A 0.075 107.575 20 35.4 4.5 1.641E-03 3322704205.25000 221.50 173.9 173.9 22.750 130.325 112.349 -78.1 259.0 168.1 320 1334 C 12 H 3 A 0.100 107.600 20 33.6 3.9 1.692E-03 3322704210.17187 221.50 172.1 172.1 22.750 130.350 112.371 -77.3 266.7 167.3 320 1334 C 12 H 3 A 0.125 107.625 20 31.9 4.2 1.642E-03 3322704215.10937 221.50 170.4 170.4 22.750 130.375 112.392 -76.1 271.9 166.1 320 1334 C 12 H 3 A 0.150 107.650 20 32.0 6.4 1.401E-03 3322704220.03125 221.50 170.5 170.5 22.750 130.400 112.414 -75.3 268.6 165.3 320 1334 C 12 H 3 A 0.175 107.675 20 32.8 9.0 1.111E-03 3322704224.96875 221.50 171.3 171.3 22.750 130.425 112.435 -74.8 263.0 164.8 320 1334 C 12 H 3 A 0.200 107.700 20 33.5 12.3 8.038E-04 3322704229.90625 221.50 172.0 172.0 22.750 130.450 112.457 -73.7 257.6 163.7 320 1334 C 12 H 3 A 0.225 107.725 20 34.4 16.7 5.550E-04 3322704234.82812 221.50 172.9 172.9 22.750 130.475 112.478 -72.0 251.4 162.0 320 1334 C 12 H 3 A 0.250 107.750 20 35.7 25.4 3.432E-04 3322704239.76562 221.50 174.2 174.2 22.750 130.500 112.500 -67.9 243.2 157.9 320 1334 C 12 H 3 A 0.275 107.775 20 52.2 46.8 1.936E-04 3322704244.70312 221.50 190.7 190.7 22.750 130.525 112.522 -52.5 212.4 142.5 320 1334 C 12 H 3 A 0.300 107.800 20 240.5 12.6 6.121E-04 3322704249.62500 221.50 19.0 19.0 22.750 130.550 112.543 71.1 321.7 18.9 320 1334 C 12 H 3 A 0.325 107.825 20 204.2 51.0 1.638E-04 3322704254.56250 221.50 342.7 -17.3 22.750 130.575 112.565 61.4 196.2 28.7 320 1334 C 12 H 3 A 0.350 107.850 20 229.9 37.1 2.153E-04 3322704259.50000 221.50 8.4 8.4 22.750 130.600 112.586 74.9 259.7 15.1 320 1334 C 12 H 3 A 0.375 107.875 20 238.3 29.4 2.779E-04 3322704264.42187 221.50 16.8 16.8 22.750 130.625 112.608 71.9 291.3 18.2 320 1334 C 12 H 3 A 0.400 107.900 20 239.3 21.8 3.665E-04 3322704269.35937 221.50 17.8 17.8 22.750 130.650 112.629 72.2 305.9 17.9 320 1334 C 12 H 3 A 0.425 107.925 20 226.1 13.5 4.973E-04 3322704274.28125 221.50 4.6 4.6 22.750 130.675 112.651 85.3 331.9 4.7 320 1334 C 12 H 3 A 0.450 107.950 20 221.4 8.2 6.348E-04 3322704279.21875 221.50 359.9 -0.1 22.750 130.700 112.672 86.1 49.5 3.9 320 1334 C 12 H 3 A 0.475 107.975 20 215.9 6.0 8.015E-04 3322704284.15625 221.50 354.4 -5.6 22.750 130.725 112.694 82.5 96.5 7.5 320 1334 C 12 H 3 A 0.500 108.000 20 213.2 6.4 9.362E-04 3322704289.07812 221.50 351.7 -8.3 22.750 130.750 112.716 80.5 108.4 9.6 320 1334 C 12 H 3 A 0.525 108.025 20 212.5 8.5 1.001E-03 3322704294.01562 221.50 351.0 -9.0 22.750 130.775 112.737 80.3 116.0 9.7 320 1334 C 12 H 3 A 0.550 108.050 20 208.0 8.7 1.278E-03 3322704298.93750 221.50 346.5 -13.5 22.750 130.800 112.759 76.1 123.7 13.9 320 1334 C 12 H 3 A 0.575 108.075 20 215.2 11.6 1.144E-03 3322704303.87500 221.50 353.7 -6.3 22.750 130.825 112.780 83.4 119.5 6.6 320 1334 C 12 H 3 A 0.600 108.100 20 215.2 12.3 1.129E-03 3322704308.79687 221.50 353.7 -6.3 22.750 130.850 112.802 83.5 122.6 6.5 320 1334 C 12 H 3 A 0.625 108.125 20 212.6 14.1 9.113E-04 3322704313.73437 221.50 351.1 -8.9 22.750 130.875 112.823 81.1 133.2 8.9 320 1334 C 12 H 3 A 0.650 108.150 20 209.7 16.0 6.825E-04 3322704318.65625 221.50 348.2 -11.8 22.750 130.900 112.845 78.3 139.6 11.7 320 1334 C 12 H 3 A 0.675 108.175 20 210.7 20.7 4.629E-04 3322704323.59375 221.50 349.2 -10.8 22.750 130.925 112.866 79.0 153.1 11.0 320 1334 C 12 H 3 A 0.700 108.200 20 213.5 24.6 3.892E-04 3322704328.53125 221.50 352.0 -8.0 22.750 130.950 112.888 80.7 170.6 9.3 320 1334 C 12 H 3 A 0.725 108.225 20 217.2 29.3 3.425E-04 3322704333.45312 221.50 355.7 -4.3 22.750 130.975 112.909 81.3 199.7 8.8 320 1334 C 12 H 3 A 0.750 108.250 20 215.5 28.1 3.871E-04 3322704338.39062 221.50 354.0 -6.0 22.750 131.000 112.931 80.9 188.3 9.1 320 1334 C 12 H 3 A 0.775 108.275 20 213.7 23.0 4.946E-04 3322704343.31250 221.50 352.2 -7.8 22.750 131.025 112.953 81.4 166.1 8.7 320 1334 C 12 H 3 A 0.800 108.300 20 217.8 18.4 5.222E-04 3322704348.25000 221.50 356.3 -3.7 22.750 131.050 112.974 86.1 159.8 3.9 320 1334 C 12 H 3 A 0.825 108.325 20 224.1 14.5 4.843E-04 3322704353.17187 221.50 2.6 2.6 22.750 131.075 112.996 87.4 331.6 2.7 320 1334 C 12 H 3 A 0.850 108.350 20 225.0 11.7 4.446E-04 3322704358.10937 221.50 3.5 3.5 22.750 131.100 113.017 86.0 348.8 4.1 320 1334 C 12 H 3 A 0.875 108.375 20 219.8 11.7 4.667E-04 3322704363.03125 221.50 358.3 -1.7 22.750 131.125 113.039 87.3 87.1 2.7 320 1334 C 12 H 3 A 0.900 108.400 20 218.2 12.0 5.700E-04 3322704367.96875 221.50 356.7 -3.3 22.750 131.150 113.060 86.2 107.7 3.8 320 1334 C 12 H 3 A 0.925 108.425 20 219.0 11.5 6.789E-04 3322704372.90625 221.50 357.5 -2.5 22.750 131.175 113.082 86.7 96.7 3.3 320 1334 C 12 H 3 A 0.950 108.450 20 219.9 12.4 7.301E-04 3322704377.82812 221.50 358.4 -1.6 22.750 131.200 113.103 87.7 90.7 2.4 320 1334 C 12 H 3 A 0.975 108.475 20 220.0 14.0 7.194E-04 3322704382.76562 221.50 358.5 -1.5 22.750 131.225 113.125 88.3 107.1 1.7 320 1334 C 12 H 3 A 1.000 108.500 20 220.2 16.1 6.935E-04 3322704387.68750 221.50 358.7 -1.3 22.750 131.250 113.147 88.7 147.5 1.3 320 1334 C 12 H 3 A 1.025 108.525 20 219.9 16.6 7.338E-04 3322704392.62500 221.50 358.4 -1.6 22.750 131.275 113.168 88.4 154.9 1.7 320 1334 C 12 H 3 A 1.050 108.550 20 220.7 15.6 8.254E-04 3322704397.54687 221.50 359.2 -0.8 22.750 131.300 113.190 89.2 134.3 0.8 320 1334 C 12 H 3 A 1.075 108.575 20 223.6 13.2 9.856E-04 3322704402.48437 221.50 2.1 2.1 22.750 131.325 113.211 87.5 350.1 2.5 320 1334 C 12 H 3 A 1.100 108.600 20 224.1 11.3 1.147E-03 3322704407.40625 221.50 2.6 2.6 22.750 131.350 113.233 86.6 359.5 3.5 320 1334 C 12 H 3 A 1.125 108.625 20 224.7 10.7 1.183E-03 3322704412.34375 221.50 3.2 3.2 22.750 131.375 113.254 85.9 357.2 4.1 320 1334 C 12 H 3 A 1.150 108.650 20 225.1 11.1 1.062E-03 3322704417.28125 221.50 3.6 3.6 22.750 131.400 113.276 85.7 351.7 4.3 320 1334 C 12 H 3 A 1.175 108.675 20 225.7 11.8 8.386E-04 3322704422.20312 221.50 4.2 4.2 22.750 131.425 113.297 85.4 343.8 4.6 320 1334 C 12 H 3 A 1.200 108.700 20 224.8 11.1 6.175E-04 3322704427.14062 221.50 3.3 3.3 22.750 131.450 113.319 85.9 354.0 4.1 320 1334 C 12 H 3 A 1.225 108.725 20 225.9 10.2 4.597E-04 3322704432.07812 221.50 4.4 4.4 22.750 131.475 113.341 84.8 351.0 5.2 320 1334 C 12 H 3 A 1.250 108.750 20 228.7 12.5 3.536E-04 3322704437.00000 221.50 7.2 7.2 22.750 131.500 113.362 82.7 330.8 7.3 320 1334 C 12 H 3 A 1.275 108.775 20 223.8 14.3 3.551E-04 3322704441.93750 221.50 2.3 2.3 22.750 131.525 113.384 87.6 335.8 2.4 320 1334 C 12 H 3 A 1.300 108.800 20 223.4 11.6 4.156E-04 3322704446.85937 221.50 1.9 1.9 22.750 131.550 113.405 87.2 6.5 2.9 320 1334 C 12 H 3 A 1.325 108.825 20 222.4 8.7 5.378E-04 3322704451.79687 221.50 0.9 0.9 22.750 131.575 113.427 86.3 34.1 3.7 320 1334 C 12 H 3 A 1.350 108.850 20 223.2 9.1 6.312E-04 3322704456.73437 221.50 1.7 1.7 22.750 131.600 113.448 86.2 21.6 3.8 320 1334 C 12 H 3 A 1.375 108.875 20 224.9 11.7 6.737E-04 3322704461.65625 221.50 3.4 3.4 22.750 131.625 113.470 86.0 349.6 4.0 320 1334 C 12 H 3 A 1.400 108.900 20 225.0 13.1 7.329E-04 3322704466.59375 221.50 3.5 3.5 22.750 131.650 113.491 86.3 339.2 3.7 320 1334 C 12 H 3 A 1.425 108.925 20 223.9 13.1 7.990E-04 3322704471.53125 221.50 2.4 2.4 22.750 131.675 113.513 87.3 347.7 2.7 320 1334 C 12 H 4 A 0.075 109.075 20 223.9 6.9 1.500E-03 3322705232.20312 221.50 2.4 2.4 22.750 131.825 113.642 84.9 20.1 5.1 320 1334 C 12 H 4 A 0.100 109.100 20 222.7 8.6 1.377E-03 3322705237.14062 221.50 1.2 1.2 22.750 131.850 113.664 86.1 30.0 3.9 320 1334 C 12 H 4 A 0.125 109.125 20 222.9 11.1 1.205E-03 3322705242.07812 221.50 1.4 1.4 22.750 131.875 113.685 87.2 17.8 2.8 320 1334 C 12 H 4 A 0.150 109.150 20 221.8 12.9 1.112E-03 3322705247.00000 221.50 0.3 0.3 22.750 131.900 113.707 88.5 36.5 1.5 320 1334 C 12 H 4 A 0.175 109.175 20 222.2 11.3 1.124E-03 3322705251.93750 221.50 0.7 0.7 22.750 131.925 113.728 87.6 31.1 2.4 320 1334 C 12 H 4 A 0.200 109.200 20 224.3 7.2 1.230E-03 3322705256.85937 221.50 2.8 2.8 22.750 131.950 113.750 84.8 15.5 5.2 320 1334 C 12 H 4 A 0.225 109.225 20 224.8 2.7 1.470E-03 3322705261.79687 221.50 3.3 3.3 22.750 131.975 113.772 82.6 21.6 7.4 320 1334 C 12 H 4 A 0.250 109.250 20 227.7 1.1 1.801E-03 3322705266.73437 221.50 6.2 6.2 22.750 132.000 113.793 80.3 8.1 9.7 320 1334 C 12 H 4 A 0.275 109.275 20 228.0 1.8 2.127E-03 3322705271.65625 221.50 6.5 6.5 22.750 132.025 113.815 80.4 5.3 9.6 320 1334 C 12 H 4 A 0.300 109.300 20 232.0 2.9 2.452E-03 3322705276.59375 221.50 10.5 10.5 22.750 132.050 113.836 77.7 349.6 12.3 320 1334 C 12 H 4 A 0.325 109.325 20 227.0 5.0 2.228E-03 3322705281.53125 221.50 5.5 5.5 22.750 132.075 113.858 82.2 2.8 7.8 320 1334 C 12 H 4 A 0.350 109.350 20 225.8 6.7 1.957E-03 3322705286.45312 221.50 4.3 4.3 22.750 132.100 113.879 83.7 5.1 6.3 320 1334 C 12 H 4 A 0.375 109.375 20 224.2 8.1 1.605E-03 3322705291.39062 221.50 2.7 2.7 22.750 132.125 113.901 85.2 13.5 4.8 320 1334 C 12 H 4 A 0.400 109.400 20 222.6 7.9 1.420E-03 3322705296.32812 221.50 1.1 1.1 22.750 132.150 113.922 85.8 32.8 4.2 320 1334 C 12 H 4 A 0.425 109.425 20 221.9 6.7 1.342E-03 3322705301.25000 221.50 0.4 0.4 22.750 132.175 113.944 85.3 43.1 4.7 320 1334 C 12 H 4 A 0.450 109.450 20 222.4 6.4 1.369E-03 3322705306.18750 221.50 0.9 0.9 22.750 132.200 113.966 85.1 37.4 4.9 320 1334 C 12 H 4 A 0.475 109.475 20 224.8 17.4 1.677E-03 3322705311.12500 221.50 3.3 3.3 22.750 132.225 113.987 86.6 302.3 3.4 320 1334 C 12 H 4 A 0.500 109.500 20 226.0 9.8 2.137E-03 3322705316.04687 221.50 4.5 4.5 22.750 132.250 114.009 84.6 352.2 5.4 320 1334 C 12 H 4 A 0.525 109.525 20 225.5 10.0 2.891E-03 3322705320.98437 221.50 4.0 4.0 22.750 132.275 114.030 85.0 354.5 5.0 320 1334 C 12 H 4 A 0.550 109.550 20 224.3 9.7 3.420E-03 3322705325.90625 221.50 2.8 2.8 22.750 132.300 114.052 85.8 6.1 4.2 320 1334 C 12 H 4 A 0.575 109.575 20 225.0 8.6 3.569E-03 3322705330.84375 221.50 3.5 3.5 22.750 132.325 114.073 84.9 4.4 5.1 320 1334 C 12 H 4 A 0.600 109.600 20 226.1 7.1 3.359E-03 3322705335.78125 221.50 4.6 4.6 22.750 132.350 114.095 83.6 1.9 6.4 320 1334 C 12 H 4 A 0.625 109.625 20 224.8 3.4 2.811E-03 3322705340.70312 221.50 3.3 3.3 22.750 132.375 114.116 82.9 20.3 7.1 320 1334 C 12 H 4 A 0.650 109.650 20 225.4 5.7 2.282E-03 3322705345.64062 221.50 3.9 3.9 22.750 132.400 114.138 83.6 10.8 6.4 320 1334 C 12 H 4 A 0.675 109.675 20 224.5 6.7 1.722E-03 3322705350.57812 221.50 3.0 3.0 22.750 132.425 114.159 84.5 15.1 5.5 320 1334 C 12 H 4 A 0.700 109.700 20 221.3 16.7 6.910E-04 3322705355.50000 221.50 359.8 -0.2 22.750 132.450 114.181 89.4 207.6 0.6 320 1334 C 12 H 4 A 0.725 109.725 20 220.0 23.4 5.000E-04 3322705360.43750 221.50 358.5 -1.5 22.750 132.475 114.203 85.5 208.8 4.5 320 1334 C 12 H 4 A 0.750 109.750 20 43.9 21.8 5.374E-04 3322705365.37500 221.50 182.4 182.4 22.750 132.500 114.224 -70.5 221.0 160.5 320 1334 C 12 H 4 A 0.775 109.775 20 56.0 26.0 5.047E-04 3322705370.29687 221.50 194.5 194.5 22.750 132.525 114.246 -64.0 194.4 154.0 320 1334 C 12 H 4 A 0.800 109.800 20 51.9 20.7 7.187E-04 3322705375.23437 221.50 190.4 190.4 22.750 132.550 114.267 -68.6 198.9 158.6 320 1334 C 12 H 4 A 0.825 109.825 20 49.2 19.2 7.929E-04 3322705380.15625 221.50 187.7 187.7 22.750 132.575 114.289 -70.6 204.7 160.6 320 1334 C 12 H 4 A 0.850 109.850 20 48.1 15.8 8.215E-04 3322705385.09375 221.50 186.6 186.6 22.750 132.600 114.310 -72.7 205.6 162.7 320 1334 C 12 H 4 A 0.875 109.875 20 47.1 11.2 8.530E-04 3322705390.03125 221.50 185.6 185.6 22.750 132.625 114.332 -75.3 205.6 165.3 320 1334 C 12 H 4 A 0.900 109.900 20 46.6 11.1 7.153E-04 3322705394.95312 221.50 185.1 185.1 22.750 132.650 114.353 -75.5 207.4 165.5 320 1334 C 12 H 4 A 0.925 109.925 20 45.9 14.6 5.058E-04 3322705399.89062 221.50 184.4 184.4 22.750 132.675 114.375 -74.0 212.0 164.0 320 1334 C 12 H 4 A 0.950 109.950 20 49.3 20.1 3.439E-04 3322705404.81250 221.50 187.8 187.8 22.750 132.700 114.397 -70.1 205.0 160.1 320 1334 C 12 H 4 A 0.975 109.975 20 53.7 16.1 4.014E-04 3322705409.75000 221.50 192.2 192.2 22.750 132.725 114.418 -69.7 190.9 159.7 320 1334 C 12 H 4 A 1.000 110.000 20 56.6 13.1 4.970E-04 3322705414.67187 221.50 195.1 195.1 22.750 132.750 114.440 -69.0 181.8 159.0 320 1334 C 12 H 4 A 1.025 110.025 20 61.1 15.6 4.313E-04 3322705419.60937 221.50 199.6 199.6 22.750 132.775 114.461 -64.8 176.8 154.8 320 1334 C 12 H 4 A 1.050 110.050 20 65.4 25.4 2.655E-04 3322705424.53125 221.50 203.9 203.9 22.750 132.800 114.483 -58.1 179.8 148.1 320 1334 C 12 H 4 A 1.075 110.075 20 95.8 46.9 1.525E-04 3322705429.46875 221.50 234.3 234.3 22.750 132.825 114.504 -26.4 175.0 116.4 320 1334 C 12 H 4 A 1.100 110.100 20 159.1 62.6 1.298E-04 3322705434.40625 221.50 297.6 -62.4 22.750 132.850 114.526 25.3 183.2 64.7 320 1334 C 12 H 4 A 1.125 110.125 20 200.8 50.5 1.660E-04 3322705439.32812 221.50 339.3 -20.7 22.750 132.875 114.547 59.8 191.1 30.2 320 1334 C 12 H 4 A 1.150 110.150 20 214.8 45.5 2.001E-04 3322705444.26562 221.50 353.3 -6.7 22.750 132.900 114.569 70.0 210.3 20.0 320 1334 C 12 H 4 A 1.175 110.175 20 218.3 45.7 2.277E-04 3322705449.18750 221.50 356.8 -3.2 22.750 132.925 114.591 70.6 219.4 19.4 320 1334 C 12 H 4 A 1.200 110.200 20 221.0 44.9 2.561E-04 3322705454.12500 221.50 359.5 -0.5 22.750 132.950 114.612 71.5 226.6 18.5 320 1334 C 12 H 4 A 1.225 110.225 20 226.4 52.0 2.317E-04 3322705459.04687 221.50 4.9 4.9 22.750 132.975 114.634 65.0 237.8 25.0 320 1334 C 12 H 4 A 1.250 110.250 20 240.6 66.6 1.846E-04 3322705463.98437 221.50 19.1 19.1 22.750 133.000 114.655 45.9 245.9 44.1 320 1334 C 12 H 4 A 1.275 110.275 20 315.2 77.3 1.592E-04 3322705468.90625 221.50 93.7 93.7 22.750 133.025 114.677 5.8 252.4 84.2 320 1334 C 12 H 4 A 1.300 110.300 20 14.2 70.7 1.699E-04 3322705473.84375 221.50 152.7 152.7 22.750 133.050 114.698 -23.0 244.6 113.0 320 1334 C 12 H 4 A 1.325 110.325 20 24.2 68.1 2.154E-04 3322705478.78125 221.50 162.7 162.7 22.750 133.075 114.720 -28.9 240.3 118.9 320 1334 C 12 H 4 A 1.350 110.350 20 45.2 68.5 2.780E-04 3322705483.70312 221.50 183.7 183.7 22.750 133.100 114.741 -30.2 225.4 120.2 320 1334 C 12 H 4 A 1.375 110.375 20 39.7 64.3 3.556E-04 3322705488.64062 221.50 178.2 178.2 22.750 133.125 114.763 -35.9 229.6 125.9 320 1334 C 12 H 4 A 1.400 110.400 20 34.9 69.0 3.627E-04 3322705493.57812 221.50 173.4 173.4 22.750 133.150 114.784 -29.3 232.6 119.3 320 1334 C 12 H 4 A 1.425 110.425 20 354.9 71.2 3.447E-04 3322705498.50000 221.50 133.4 133.4 22.750 133.175 114.806 -15.5 253.1 105.5 320 1334 C 12 H 5 A 0.075 110.575 20 46.2 11.5 1.255E-03 3322706313.06250 221.50 184.7 184.7 22.750 133.325 114.935 -75.4 209.1 165.4 320 1334 C 12 H 5 A 0.100 110.600 20 48.2 16.3 1.333E-03 3322706318.00000 221.50 186.7 186.7 22.750 133.350 114.957 -72.4 205.6 162.4 320 1334 C 12 H 5 A 0.125 110.625 20 41.9 11.7 1.704E-03 3322706322.93750 221.50 180.4 180.4 22.750 133.375 114.978 -76.1 226.4 166.1 320 1334 C 12 H 5 A 0.150 110.650 20 53.0 12.2 1.599E-03 3322706327.85937 221.50 191.5 191.5 22.750 133.400 115.000 -71.8 188.7 161.8 320 1334 C 12 H 5 A 0.175 110.675 20 54.7 10.6 1.606E-03 3322706332.79687 221.50 193.2 193.2 22.750 133.425 115.022 -71.3 183.0 161.3 320 1334 C 12 H 5 A 0.200 110.700 20 54.1 9.0 1.458E-03 3322706337.73437 221.50 192.6 192.6 22.750 133.450 115.043 -72.3 182.5 162.3 320 1334 C 12 H 5 A 0.225 110.725 20 52.9 9.1 1.104E-03 3322706342.65625 221.50 191.4 191.4 22.750 133.475 115.065 -73.0 185.5 163.0 320 1334 C 12 H 5 A 0.250 110.750 20 50.9 11.0 7.951E-04 3322706347.59375 221.50 189.4 189.4 22.750 133.500 115.086 -73.5 193.1 163.5 320 1334 C 12 H 5 A 0.275 110.775 20 50.7 21.3 5.170E-04 3322706352.53125 221.50 189.2 189.2 22.750 133.525 115.108 -68.9 202.2 158.9 320 1334 C 12 H 5 A 0.300 110.800 20 44.3 30.3 4.943E-04 3322706357.45312 221.50 182.8 182.8 22.750 133.550 115.129 -65.6 221.5 155.6 320 1334 C 12 H 5 A 0.325 110.825 20 50.6 25.5 6.687E-04 3322706362.39062 221.50 189.1 189.1 22.750 133.575 115.151 -66.8 205.1 156.8 320 1334 C 12 H 5 A 0.350 110.850 20 54.1 15.6 1.060E-03 3322706367.31250 221.50 192.6 192.6 22.750 133.600 115.172 -69.7 189.5 159.7 320 1334 C 12 H 5 A 0.375 110.875 20 55.6 8.5 1.633E-03 3322706372.25000 221.50 194.1 194.1 22.750 133.625 115.194 -71.3 178.7 161.3 320 1334 C 12 H 5 A 0.400 110.900 20 55.8 5.4 1.971E-03 3322706377.17187 221.50 194.3 194.3 22.750 133.650 115.216 -72.2 174.4 162.2 320 1334 C 12 H 5 A 0.425 110.925 20 55.3 5.2 1.990E-03 3322706382.10937 221.50 193.8 193.8 22.750 133.675 115.237 -72.6 175.1 162.6 320 1334 C 12 H 5 A 0.450 110.950 20 53.1 5.9 1.890E-03 3322706387.03125 221.50 191.6 191.6 22.750 133.700 115.259 -74.1 181.0 164.1 320 1334 C 12 H 5 A 0.475 110.975 20 50.4 6.4 1.776E-03 3322706391.96875 221.50 188.9 188.9 22.750 133.725 115.280 -75.7 189.3 165.7 320 1334 C 12 H 5 A 0.500 111.000 20 51.4 6.3 1.581E-03 3322706396.90625 221.50 189.9 189.9 22.750 133.750 115.302 -75.1 186.2 165.1 320 1334 C 12 H 5 A 0.525 111.025 20 52.2 5.7 1.337E-03 3322706401.82812 221.50 190.7 190.7 22.750 133.775 115.323 -74.8 183.1 164.8 320 1334 C 12 H 5 A 0.550 111.050 20 53.3 4.4 1.156E-03 3322706406.75000 221.50 191.8 191.8 22.750 133.800 115.345 -74.4 178.5 164.4 320 1334 C 12 H 5 A 0.575 111.075 20 52.6 3.8 1.100E-03 3322706411.68750 221.50 191.1 191.1 22.750 133.825 115.366 -75.2 179.4 165.2 320 1334 C 12 H 5 A 0.600 111.100 20 53.0 5.9 1.015E-03 3322706416.62500 221.50 191.5 191.5 22.750 133.850 115.388 -74.1 181.3 164.1 320 1334 C 12 H 5 A 0.625 111.125 20 51.6 7.8 9.456E-04 3322706421.54687 221.50 190.1 190.1 22.750 133.875 115.409 -74.4 187.5 164.4 320 1334 C 12 H 5 A 0.650 111.150 20 49.3 8.5 8.020E-04 3322706426.48437 221.50 187.8 187.8 22.750 133.900 115.431 -75.5 195.4 165.5 320 1334 C 12 H 5 A 0.675 111.175 20 47.8 7.8 6.870E-04 3322706431.40625 221.50 186.3 186.3 22.750 133.925 115.453 -76.5 200.0 166.5 320 1334 C 12 H 5 A 0.700 111.200 20 47.9 8.6 5.542E-04 3322706436.34375 221.50 186.4 186.4 22.750 133.950 115.474 -76.1 200.4 166.1 320 1334 C 12 H 5 A 0.725 111.225 20 51.9 11.5 4.548E-04 3322706441.28125 221.50 190.4 190.4 22.750 133.975 115.496 -72.7 190.8 162.7 320 1334 C 12 H 5 A 0.750 111.250 20 53.2 14.8 3.644E-04 3322706446.21875 221.50 191.7 191.7 22.750 134.000 115.517 -70.6 190.8 160.6 320 1334 C 12 H 5 A 0.775 111.275 20 55.1 14.2 3.342E-04 3322706451.14062 221.50 193.6 193.6 22.750 134.025 115.539 -69.6 186.0 159.6 320 1334 C 12 H 5 A 0.800 111.300 20 54.0 7.7 3.890E-04 3322706456.07812 221.50 192.5 192.5 22.750 134.050 115.560 -72.8 181.2 162.8 320 1334 C 12 H 5 A 0.825 111.325 20 51.8 -7.6 4.960E-04 3322706461.01562 221.50 190.3 190.3 22.750 134.075 115.582 -78.9 159.7 168.9 320 1334 C 12 H 5 A 0.850 111.350 20 52.5 -0.4 5.527E-04 3322706465.95312 221.50 191.0 191.0 22.750 134.100 115.603 -76.6 172.9 166.6 320 1334 C 12 H 5 A 0.875 111.375 20 54.4 1.5 5.137E-04 3322706470.87500 221.50 192.9 192.9 22.750 134.125 115.625 -74.4 171.7 164.4 320 1334 C 12 H 5 A 0.900 111.400 20 56.7 7.9 3.817E-04 3322706475.81250 221.50 195.2 195.2 22.750 134.150 115.647 -70.7 175.8 160.7 320 1334 C 12 H 5 A 0.925 111.425 20 57.2 19.4 2.652E-04 3322706480.75000 221.50 195.7 195.7 22.750 134.175 115.668 -66.2 186.8 156.2 320 1334 C 12 H 5 A 0.950 111.450 20 64.6 34.8 1.835E-04 3322706485.68750 221.50 203.1 203.1 22.750 134.200 115.690 -54.6 188.3 144.6 320 1334 C 12 H 5 A 0.975 111.475 20 79.3 51.3 1.445E-04 3322706490.60937 221.50 217.8 217.8 22.750 134.225 115.711 -36.2 187.9 126.2 320 1334 C 12 H 5 A 1.000 111.500 20 99.2 54.9 1.423E-04 3322706495.54687 221.50 237.7 237.7 22.750 134.250 115.733 -20.5 180.7 110.5 320 1334 C 12 H 5 A 1.025 111.525 20 85.0 47.0 1.460E-04 3322706500.48437 221.50 223.5 223.5 22.750 134.275 115.754 -34.6 180.6 124.6 320 1334 C 12 H 5 A 1.050 111.550 20 60.9 30.1 1.753E-04 3322706505.40625 221.50 199.4 199.4 22.750 134.300 115.776 -59.1 189.6 149.1 320 1334 C 12 H 5 A 1.075 111.575 20 56.2 24.5 2.139E-04 3322706510.34375 221.50 194.7 194.7 22.750 134.325 115.797 -64.6 192.9 154.6 320 1334 C 12 H 5 A 1.100 111.600 20 52.1 25.8 2.635E-04 3322706515.28125 221.50 190.6 190.6 22.750 134.350 115.819 -66.0 202.0 156.0 320 1334 C 12 H 5 A 1.125 111.625 20 57.1 25.2 3.221E-04 3322706520.20312 221.50 195.6 195.6 22.750 134.375 115.841 -63.7 191.8 153.7 320 1334 C 12 H 5 A 1.150 111.650 20 59.9 18.2 4.462E-04 3322706525.14062 221.50 198.4 198.4 22.750 134.400 115.862 -64.8 181.1 154.8 320 1334 C 12 H 5 A 1.175 111.675 20 58.4 10.8 6.859E-04 3322706530.07812 221.50 196.9 196.9 22.750 134.425 115.884 -68.4 176.1 158.4 320 1334 C 12 H 5 A 1.200 111.700 20 56.5 7.6 8.941E-04 3322706535.00000 221.50 195.0 195.0 22.750 134.450 115.905 -70.9 175.8 160.9 320 1334 C 12 H 5 A 1.225 111.725 20 58.1 6.1 1.066E-03 3322706539.93750 221.50 196.6 196.6 22.750 134.475 115.927 -70.1 171.1 160.1 320 1334 C 12 H 5 A 1.250 111.750 20 57.2 5.4 1.138E-03 3322706544.87500 221.50 195.7 195.7 22.750 134.500 115.948 -71.0 171.8 161.0 320 1334 C 12 H 5 A 1.275 111.775 20 58.6 6.3 1.081E-03 3322706549.79687 221.50 197.1 197.1 22.750 134.525 115.970 -69.6 170.6 159.6 320 1334 C 12 H 5 A 1.300 111.800 20 56.6 8.8 9.332E-04 3322706554.73437 221.50 195.1 195.1 22.750 134.550 115.991 -70.5 177.0 160.5 320 1334 C 12 H 5 A 1.325 111.825 20 57.8 13.0 7.179E-04 3322706559.65625 221.50 196.3 196.3 22.750 134.575 116.013 -68.2 179.5 158.2 320 1334 C 12 H 5 A 1.350 111.850 20 59.6 19.7 5.012E-04 3322706564.59375 221.50 198.1 198.1 22.750 134.600 116.034 -64.4 182.9 154.4 320 1334 C 12 H 5 A 1.375 111.875 20 59.7 24.8 4.003E-04 3322706569.53125 221.50 198.2 198.2 22.750 134.625 116.056 -62.3 187.2 152.3 320 1334 C 12 H 5 A 1.400 111.900 20 60.2 25.2 3.665E-04 3322706574.46875 221.50 198.7 198.7 22.750 134.650 116.078 -61.8 186.7 151.8 320 1334 C 12 H 5 A 1.425 111.925 20 59.2 18.5 4.129E-04 3322706579.39062 221.50 197.7 197.7 22.750 134.675 116.099 -65.2 182.5 155.2 320 1334 C 12 H 6 A 0.075 112.075 20 59.8 22.9 4.854E-04 3322707302.87500 221.50 198.3 198.3 22.750 134.825 116.228 -63.0 185.4 153.0 320 1334 C 12 H 6 A 0.100 112.100 20 56.2 20.6 4.914E-04 3322707307.81250 221.50 194.7 194.7 22.750 134.850 116.250 -66.3 189.7 156.3 320 1334 C 12 H 6 A 0.125 112.125 20 51.7 18.5 4.997E-04 3322707312.73437 221.50 190.2 190.2 22.750 134.875 116.272 -69.8 197.7 159.8 320 1334 C 12 H 6 A 0.150 112.150 20 50.9 17.1 4.711E-04 3322707317.67187 221.50 189.4 189.4 22.750 134.900 116.293 -70.8 198.6 160.8 320 1334 C 12 H 6 A 0.175 112.175 20 56.5 16.7 4.033E-04 3322707322.60937 221.50 195.0 195.0 22.750 134.925 116.315 -67.7 185.6 157.7 320 1334 C 12 H 6 A 0.200 112.200 20 62.6 18.8 3.360E-04 3322707327.53125 221.50 201.1 201.1 22.750 134.950 116.336 -62.6 177.7 152.6 320 1334 C 12 H 6 A 0.225 112.225 20 65.5 28.4 2.347E-04 3322707332.46875 221.50 204.0 204.0 22.750 134.975 116.358 -56.8 182.2 146.8 320 1334 C 12 H 6 A 0.250 112.250 20 73.3 50.2 1.596E-04 3322707337.40625 221.50 211.8 211.8 22.750 135.000 116.379 -40.5 191.5 130.5 320 1334 C 12 H 6 A 0.275 112.275 20 179.9 68.6 1.395E-04 3322707342.32812 221.50 318.4 -41.6 22.750 135.025 116.401 34.5 198.2 55.5 320 1334 C 12 H 6 A 0.300 112.300 20 200.9 53.6 1.592E-04 3322707347.26562 221.50 339.4 -20.6 22.750 135.050 116.422 57.7 195.0 32.3 320 1334 C 12 H 6 A 0.325 112.325 20 199.0 46.2 1.642E-04 3322707352.18750 221.50 337.5 -22.5 22.750 135.075 116.444 61.1 183.4 28.9 320 1334 C 12 H 6 A 0.350 112.350 20 191.1 36.4 1.931E-04 3322707357.12500 221.50 329.6 -30.4 22.750 135.100 116.466 58.2 163.9 31.8 320 1334 C 12 H 6 A 0.375 112.375 20 192.9 38.4 1.783E-04 3322707362.04687 221.50 331.4 -28.6 22.750 135.125 116.487 59.3 167.5 30.7 320 1334 C 12 H 6 A 0.400 112.400 20 190.0 49.8 1.359E-04 3322707366.98437 221.50 328.5 -31.5 22.750 135.150 116.509 52.9 179.8 37.1 320 1334 C 12 H 6 A 0.425 112.425 20 147.8 48.0 1.371E-04 3322707371.90625 221.50 286.3 -73.7 22.750 135.175 116.530 18.1 166.1 71.9 320 1334 C 12 H 6 A 0.450 112.450 20 82.0 43.7 1.468E-04 3322707376.84375 221.50 220.5 220.5 22.750 135.200 116.552 -38.3 179.7 128.3 320 1334 C 12 H 6 A 0.475 112.475 20 51.5 28.1 2.052E-04 3322707381.78125 221.50 190.0 190.0 22.750 135.225 116.573 -65.0 204.6 155.0 320 1334 C 12 H 6 A 0.500 112.500 20 52.3 23.7 1.956E-04 3322707386.70312 221.50 190.8 190.8 22.750 135.250 116.595 -67.0 200.1 157.0 320 1334 C 12 H 6 A 0.525 112.525 20 50.1 19.4 1.614E-04 3322707391.64062 221.50 188.6 188.6 22.750 135.275 116.616 -70.1 202.4 160.1 320 1334 C 12 H 6 A 0.550 112.550 20 83.9 36.9 7.044E-05 3322707396.56250 221.50 222.4 222.4 22.750 135.300 116.638 -39.5 173.2 129.5 320 1334 C 12 H 6 A 0.575 112.575 20 222.0 39.5 7.035E-05 3322707401.50000 221.50 0.5 0.5 22.750 135.325 116.659 75.6 229.9 14.4 320 1334 C 12 H 6 A 0.600 112.600 20 217.3 18.0 2.347E-04 3322707406.42187 221.50 355.8 -4.2 22.750 135.350 116.681 85.7 154.8 4.3 320 1334 C 12 H 6 A 0.625 112.625 20 224.2 18.8 3.615E-04 3322707411.35937 221.50 2.7 2.7 22.750 135.375 116.703 86.9 285.9 3.1 320 1334 C 12 H 6 A 0.650 112.650 20 223.3 18.6 5.212E-04 3322707416.28125 221.50 1.8 1.8 22.750 135.400 116.724 87.6 276.8 2.4 320 1334 C 12 H 6 A 0.675 112.675 20 226.5 19.1 6.253E-04 3322707421.21875 221.50 5.0 5.0 22.750 135.425 116.746 84.7 297.4 5.3 320 1334 C 12 H 6 A 0.700 112.700 20 229.2 19.1 6.445E-04 3322707426.15625 221.50 7.7 7.7 22.750 135.450 116.767 82.2 304.0 7.8 320 1334 C 12 H 6 A 0.725 112.725 20 228.8 20.4 5.810E-04 3322707431.07812 221.50 7.3 7.3 22.750 135.475 116.789 82.4 298.1 7.6 320 1334 C 12 H 6 A 0.750 112.750 20 228.3 24.7 4.627E-04 3322707436.01562 221.50 6.8 6.8 22.750 135.500 116.810 81.7 280.9 8.3 320 1334 C 12 H 6 A 0.775 112.775 20 227.0 30.5 3.783E-04 3322707440.93750 221.50 5.5 5.5 22.750 135.525 116.832 80.0 260.1 10.0 320 1334 C 12 H 6 A 0.800 112.800 20 223.4 41.0 3.163E-04 3322707445.87500 221.50 1.9 1.9 22.750 135.550 116.853 74.4 234.5 15.6 320 1334 C 12 H 6 A 0.825 112.825 20 220.0 46.1 3.256E-04 3322707450.79687 221.50 358.5 -1.5 22.750 135.575 116.875 70.5 224.0 19.5 320 1334 C 12 H 6 A 0.850 112.850 20 222.2 42.2 3.527E-04 3322707455.73437 221.50 0.7 0.7 22.750 135.600 116.897 73.6 230.3 16.4 320 1334 C 12 H 6 A 0.875 112.875 20 223.4 31.3 3.677E-04 3322707460.65625 221.50 1.9 1.9 22.750 135.625 116.918 80.9 239.6 9.1 320 1334 C 12 H 6 A 0.900 112.900 20 225.4 22.0 4.341E-04 3322707465.59375 221.50 3.9 3.9 22.750 135.650 116.940 84.9 276.1 5.2 320 1334 C 12 H 6 A 0.925 112.925 20 231.0 20.4 4.996E-04 3322707470.53125 221.50 9.5 9.5 22.750 135.675 116.961 80.3 302.2 9.7 320 1334 C 12 H 6 A 0.950 112.950 20 231.4 19.4 6.437E-04 3322707475.45312 221.50 9.9 9.9 22.750 135.700 116.983 80.0 305.8 10.0 320 1334 C 12 H 6 A 0.975 112.975 20 229.9 20.8 7.354E-04 3322707480.39062 221.50 8.4 8.4 22.750 135.725 117.004 81.3 299.0 8.7 320 1334 C 12 H 6 A 1.000 113.000 20 230.7 21.8 7.419E-04 3322707485.32812 221.50 9.2 9.2 22.750 135.750 117.026 80.4 297.3 9.7 320 1334 C 12 H 6 A 1.025 113.025 20 229.3 20.9 7.196E-04 3322707490.25000 221.50 7.8 7.8 22.750 135.775 117.047 81.8 297.4 8.2 320 1334 C 12 H 6 A 1.050 113.050 20 230.4 20.7 6.439E-04 3322707495.17187 221.50 8.9 8.9 22.750 135.800 117.069 80.8 300.3 9.2 320 1334 C 12 H 6 A 1.075 113.075 20 229.9 19.0 6.015E-04 3322707500.10937 221.50 8.4 8.4 22.750 135.825 117.091 81.5 305.4 8.5 320 1334 C 12 H 6 A 1.100 113.100 20 230.4 18.3 5.489E-04 3322707505.03125 221.50 8.9 8.9 22.750 135.850 117.112 81.1 308.4 8.9 320 1334 C 12 H 6 A 1.125 113.125 20 230.7 16.6 5.327E-04 3322707509.96875 221.50 9.2 9.2 22.750 135.875 117.134 80.9 314.4 9.1 320 1334 C 12 H 6 A 1.150 113.150 20 230.2 15.9 5.109E-04 3322707514.90625 221.50 8.7 8.7 22.750 135.900 117.155 81.4 316.7 8.6 320 1334 C 12 H 6 A 1.175 113.175 20 231.4 16.8 4.771E-04 3322707519.82812 221.50 9.9 9.9 22.750 135.925 117.177 80.2 313.9 9.8 320 1334 C 12 H 6 A 1.200 113.200 20 231.7 17.7 4.896E-04 3322707524.76562 221.50 10.2 10.2 22.750 135.950 117.198 79.9 311.3 10.1 320 1334 C 12 H 6 A 1.225 113.225 20 231.7 17.0 5.558E-04 3322707529.68750 221.50 10.2 10.2 22.750 135.975 117.220 79.9 313.4 10.1 320 1334 C 12 H 6 A 1.250 113.250 20 234.5 14.3 6.739E-04 3322707534.62500 221.50 13.0 13.0 22.750 136.000 117.241 77.1 320.4 12.9 320 1334 C 12 H 6 A 1.275 113.275 20 233.2 11.9 7.687E-04 3322707539.54687 221.50 11.7 11.7 22.750 136.025 117.263 78.2 327.0 11.8 320 1334 C 12 H 6 A 1.300 113.300 20 233.6 11.4 7.899E-04 3322707544.48437 221.50 12.1 12.1 22.750 136.050 117.284 77.8 327.8 12.2 320 1334 C 12 H 6 A 1.325 113.325 20 230.7 13.5 7.944E-04 3322707549.40625 221.50 9.2 9.2 22.750 136.075 117.306 80.8 324.6 9.2 320 1334 C 12 H 6 A 1.350 113.350 20 231.1 18.6 7.478E-04 3322707554.34375 221.50 9.6 9.6 22.750 136.100 117.328 80.4 308.0 9.6 320 1334 C 12 H 6 A 1.375 113.375 20 232.0 22.5 6.913E-04 3322707559.28125 221.50 10.5 10.5 22.750 136.125 117.349 79.0 297.5 11.0 320 1334 C 12 H 6 A 1.400 113.400 20 231.3 23.9 6.416E-04 3322707564.20312 221.50 9.8 9.8 22.750 136.150 117.371 79.4 292.2 10.6 320 1334 C 12 H 6 A 1.425 113.425 20 234.6 25.7 5.183E-04 3322707569.14062 221.50 13.1 13.1 22.750 136.175 117.392 76.0 293.6 14.0 320 1334 C 12 H 7 A 0.075 113.575 20 230.5 -1.4 5.178E-04 3322708536.37500 221.50 9.0 9.0 22.750 136.325 117.522 77.5 1.7 12.5 320 1334 C 12 H 7 A 0.100 113.600 20 226.5 3.6 7.309E-04 3322708541.29687 221.50 5.0 5.0 22.750 136.350 117.543 82.1 9.0 8.0 320 1334 C 12 H 7 A 0.125 113.625 20 227.8 8.5 8.655E-04 3322708546.23437 221.50 6.3 6.3 22.750 136.375 117.565 82.7 348.4 7.3 320 1334 C 12 H 7 A 0.150 113.650 20 227.0 12.4 9.681E-04 3322708551.17187 221.50 5.5 5.5 22.750 136.400 117.586 84.3 335.2 5.7 320 1334 C 12 H 7 A 0.175 113.675 20 226.8 15.6 9.767E-04 3322708556.10937 221.50 5.3 5.3 22.750 136.425 117.608 84.8 318.2 5.3 320 1334 C 12 H 7 A 0.200 113.700 20 229.2 18.5 9.062E-04 3322708561.03125 221.50 7.7 7.7 22.750 136.450 117.629 82.2 306.3 7.8 320 1334 C 12 H 7 A 0.225 113.725 20 236.3 16.7 9.063E-04 3322708565.96875 221.50 14.8 14.8 22.750 136.475 117.651 75.4 314.9 14.7 320 1334 C 12 H 7 A 0.250 113.750 20 247.6 9.0 1.321E-03 3322708570.90625 221.50 26.1 26.1 22.750 136.500 117.672 63.8 324.1 26.2 320 1334 C 12 H 7 A 0.275 113.775 20 237.7 8.9 1.163E-03 3322708575.82812 221.50 16.2 16.2 22.750 136.525 117.694 73.5 329.4 16.5 320 1334 C 12 H 7 A 0.300 113.800 20 234.4 8.2 1.208E-03 3322708580.76562 221.50 12.9 12.9 22.750 136.550 117.716 76.6 334.1 13.4 320 1334 C 12 H 7 A 0.325 113.825 20 232.9 8.2 1.124E-03 3322708585.68750 221.50 11.4 11.4 22.750 136.575 117.737 78.0 336.3 12.0 320 1334 C 12 H 7 A 0.350 113.850 20 232.4 9.1 9.054E-04 3322708590.62500 221.50 10.9 10.9 22.750 136.600 117.759 78.6 334.9 11.4 320 1334 C 12 H 7 A 0.375 113.875 20 232.3 12.2 6.234E-04 3322708595.54687 221.50 10.8 10.8 22.750 136.625 117.780 79.1 327.0 10.9 320 1334 C 12 H 7 A 0.400 113.900 20 232.0 15.5 4.453E-04 3322708600.48437 221.50 10.5 10.5 22.750 136.650 117.802 79.6 317.9 10.4 320 1334 C 12 H 7 A 0.425 113.925 20 223.7 16.6 4.082E-04 3322708605.40625 221.50 2.2 2.2 22.750 136.675 117.823 87.8 305.5 2.2 320 1334 C 12 H 7 A 0.450 113.950 20 224.5 17.3 4.278E-04 3322708610.34375 221.50 3.0 3.0 22.750 136.700 117.845 86.9 301.8 3.1 320 1334 C 12 H 7 A 0.475 113.975 20 227.2 17.6 4.396E-04 3322708615.28125 221.50 5.7 5.7 22.750 136.725 117.866 84.3 307.4 5.7 320 1334 C 12 H 7 A 0.500 114.000 20 227.9 19.6 4.393E-04 3322708620.20312 221.50 6.4 6.4 22.750 136.750 117.888 83.3 299.2 6.7 320 1334 C 12 H 7 A 0.525 114.025 20 229.5 26.0 3.952E-04 3322708625.14062 221.50 8.0 8.0 22.750 136.775 117.909 80.3 281.3 9.7 320 1334 C 13 H 1 A 0.075 114.075 20 321.2 12.9 1.746E-03 3322709395.64062 359.90 321.3 -38.7 25.130 139.205 120.004 51.6 138.5 38.4 320 1334 C 13 H 1 A 0.100 114.100 20 314.8 20.7 1.430E-03 3322709400.56250 359.90 314.9 -45.1 25.130 139.230 120.026 45.5 145.2 44.6 320 1334 C 13 H 1 A 0.125 114.125 20 317.7 19.2 1.233E-03 3322709405.50000 359.90 317.8 -42.2 25.130 139.255 120.047 48.3 143.9 41.7 320 1334 C 13 H 1 A 0.150 114.150 20 317.5 25.3 8.708E-04 3322709410.42187 359.90 317.6 -42.4 25.130 139.280 120.069 48.1 149.0 42.0 320 1334 C 13 H 1 A 0.175 114.175 20 314.0 39.2 5.926E-04 3322709415.35937 359.90 314.1 -45.9 25.130 139.305 120.091 43.7 161.2 46.3 320 1334 C 13 H 1 A 0.200 114.200 20 316.0 56.6 4.484E-04 3322709420.28125 359.90 316.1 -43.9 25.130 139.330 120.112 40.7 181.2 49.3 320 1334 C 13 H 1 A 0.225 114.225 20 319.6 65.0 4.014E-04 3322709425.21875 359.90 319.7 -40.3 25.130 139.355 120.134 38.1 193.9 51.9 320 1334 C 13 H 1 A 0.250 114.250 20 326.4 58.9 4.306E-04 3322709430.15625 359.90 326.5 -33.5 25.130 139.380 120.155 46.4 190.0 43.6 320 1334 C 13 H 1 A 0.275 114.275 20 324.7 46.8 5.415E-04 3322709435.09375 359.90 324.8 -35.2 25.130 139.405 120.177 51.2 173.7 38.8 320 1334 C 13 H 1 A 0.300 114.300 20 320.4 34.4 7.515E-04 3322709440.03125 359.90 320.5 -39.5 25.130 139.430 120.198 50.2 158.0 39.8 320 1334 C 13 H 1 A 0.325 114.325 20 318.7 27.7 9.409E-04 3322709444.95312 359.90 318.8 -41.2 25.130 139.455 120.220 49.1 151.3 40.9 320 1334 C 13 H 1 A 0.350 114.350 20 317.7 22.5 1.088E-03 3322709449.89062 359.90 317.8 -42.2 25.130 139.480 120.241 48.3 146.7 41.7 320 1334 C 13 H 1 A 0.375 114.375 20 318.2 18.8 1.180E-03 3322709454.82812 359.90 318.3 -41.7 25.130 139.505 120.263 48.8 143.6 41.2 320 1334 C 13 H 1 A 0.400 114.400 20 316.8 18.9 1.167E-03 3322709459.75000 359.90 316.9 -43.1 25.130 139.530 120.284 47.4 143.7 42.6 320 1334 C 13 H 1 A 0.425 114.425 20 314.3 22.4 1.047E-03 3322709464.68750 359.90 314.4 -45.6 25.130 139.555 120.306 45.0 146.5 45.0 320 1334 C 13 H 1 A 0.450 114.450 20 314.6 25.2 9.284E-04 3322709469.62500 359.90 314.7 -45.3 25.130 139.580 120.328 45.2 148.8 44.8 320 1334 C 13 H 1 A 0.475 114.475 20 310.3 26.8 7.844E-04 3322709474.56250 359.90 310.4 -49.6 25.130 139.605 120.349 41.0 149.9 49.0 320 1334 C 13 H 1 A 0.500 114.500 20 308.5 13.8 7.116E-04 3322709479.48437 359.90 308.6 -51.4 25.130 139.630 120.371 39.1 140.6 50.9 320 1334 C 13 H 1 A 0.525 114.525 20 313.0 18.6 7.832E-04 3322709484.42187 359.90 313.1 -46.9 25.130 139.655 120.392 43.7 143.6 46.3 320 1334 C 13 H 1 A 0.550 114.550 20 317.6 14.8 9.033E-04 3322709489.35937 359.90 317.7 -42.3 25.130 139.680 120.414 48.1 140.4 41.9 320 1334 C 13 H 1 A 0.575 114.575 20 322.0 11.8 1.112E-03 3322709494.28125 359.90 322.1 -37.9 25.130 139.705 120.435 52.3 137.4 37.7 320 1334 C 13 H 1 A 0.600 114.600 20 322.7 10.4 1.234E-03 3322709499.21875 359.90 322.8 -37.2 25.130 139.730 120.457 53.0 136.1 37.0 320 1334 C 13 H 1 A 0.625 114.625 20 323.8 10.1 1.253E-03 3322709504.15625 359.90 323.9 -36.1 25.130 139.755 120.478 54.0 135.7 36.0 320 1334 C 13 H 1 A 0.650 114.650 20 322.7 10.4 1.208E-03 3322709509.09375 359.90 322.8 -37.2 25.130 139.780 120.500 53.0 136.1 37.0 320 1334 C 13 H 1 A 0.675 114.675 20 322.3 9.6 1.179E-03 3322709514.01562 359.90 322.4 -37.6 25.130 139.805 120.522 52.5 135.5 37.5 320 1334 C 13 H 1 A 0.700 114.700 20 320.2 9.0 1.060E-03 3322709518.95312 359.90 320.3 -39.7 25.130 139.830 120.543 50.4 135.5 39.6 320 1334 C 13 H 1 A 0.725 114.725 20 321.6 6.8 1.005E-03 3322709523.89062 359.90 321.7 -38.3 25.130 139.855 120.565 51.6 133.4 38.4 320 1334 C 13 H 1 A 0.750 114.750 20 322.7 2.9 1.071E-03 3322709528.82812 359.90 322.8 -37.2 25.130 139.880 120.586 52.4 130.0 37.6 320 1334 C 13 H 1 A 0.775 114.775 20 322.0 -4.5 1.293E-03 3322709533.75000 359.90 322.1 -37.9 25.130 139.905 120.608 50.8 124.4 39.2 320 1334 C 13 H 1 A 0.800 114.800 20 321.9 0.0 1.599E-03 3322709538.68750 359.90 322.0 -38.0 25.130 139.930 120.629 51.3 127.9 38.7 320 1334 C 13 H 1 A 0.825 114.825 20 322.9 0.0 1.771E-03 3322709543.62500 359.90 323.0 -37.0 25.130 139.955 120.651 52.3 127.6 37.7 320 1334 C 13 H 1 A 0.850 114.850 20 324.2 1.0 1.893E-03 3322709548.56250 359.90 324.3 -35.7 25.130 139.980 120.672 53.7 127.9 36.4 320 1334 C 13 H 1 A 0.875 114.875 20 324.4 1.8 1.929E-03 3322709553.48437 359.90 324.5 -35.5 25.130 140.005 120.694 53.9 128.5 36.1 320 1334 C 13 H 1 A 0.900 114.900 20 323.3 2.2 1.846E-03 3322709558.42187 359.90 323.4 -36.6 25.130 140.030 120.716 52.9 129.2 37.1 320 1334 C 13 H 1 A 0.925 114.925 20 322.0 2.0 1.717E-03 3322709563.35937 359.90 322.1 -37.9 25.130 140.055 120.737 51.6 129.5 38.4 320 1334 C 13 H 1 A 0.950 114.950 20 320.2 3.4 1.739E-03 3322709568.28125 359.90 320.3 -39.7 25.130 140.080 120.759 50.0 131.1 40.0 320 1334 C 13 H 1 A 0.975 114.975 20 315.8 8.5 3.044E-03 3322709573.21875 359.90 315.9 -44.1 25.130 140.105 120.780 46.0 135.9 44.0 320 1334 C 13 H 1 A 1.000 115.000 20 314.7 19.6 4.489E-03 3322709578.15625 359.90 314.8 -45.2 25.130 140.130 120.802 45.4 144.3 44.7 320 1334 C 13 H 1 A 1.025 115.025 20 299.7 40.8 4.066E-03 3322709583.09375 359.90 299.8 -60.2 25.130 140.155 120.823 30.5 160.5 59.5 320 1334 C 13 H 1 A 1.050 115.050 20 220.7 78.7 2.987E-03 3322709588.01562 359.90 220.8 220.8 25.130 140.180 120.845 -8.6 213.8 98.6 320 1334 C 13 H 1 A 1.075 115.075 20 116.5 49.0 2.060E-03 3322709592.95312 359.90 116.6 116.6 25.130 140.205 120.866 -18.4 282.8 108.4 320 1334 C 13 H 1 A 1.100 115.100 20 230.2 50.2 5.328E-04 3322709597.89062 359.90 230.3 230.3 25.130 140.230 120.888 -28.1 179.6 118.1 320 1334 C 13 H 1 A 1.125 115.125 20 343.0 7.3 1.401E-03 3322709602.81250 359.90 343.1 -16.9 25.130 140.255 120.909 72.6 124.5 17.4 320 1334 C 13 H 1 A 1.150 115.150 20 335.7 -4.0 1.661E-03 3322709607.73437 359.90 335.8 -24.2 25.130 140.280 120.931 63.9 116.5 26.1 320 1334 C 13 H 1 A 1.175 115.175 20 335.2 -0.8 1.602E-03 3322709612.67187 359.90 335.3 -24.7 25.130 140.305 120.953 64.0 120.3 26.0 320 1334 C 13 H 1 A 1.200 115.200 20 329.6 -1.1 1.440E-03 3322709617.60937 359.90 329.7 -30.3 25.130 140.330 120.974 58.6 123.6 31.4 320 1334 C 13 H 1 A 1.225 115.225 20 316.9 -0.1 1.741E-03 3322709622.53125 359.90 317.0 -43.0 25.130 140.355 120.996 46.4 129.5 43.6 320 1334 C 13 H 1 A 1.250 115.250 20 324.7 0.9 1.884E-03 3322709627.46875 359.90 324.8 -35.2 25.130 140.380 121.017 54.1 127.6 35.9 320 1334 C 13 H 1 A 1.275 115.275 20 328.4 1.6 2.489E-03 3322709632.40625 359.90 328.5 -31.5 25.130 140.405 121.039 57.8 126.7 32.2 320 1334 C 13 H 1 A 1.300 115.300 20 327.0 2.0 2.572E-03 3322709637.32812 359.90 327.1 -32.9 25.130 140.430 121.060 56.5 127.6 33.5 320 1334 C 13 H 1 A 1.325 115.325 20 329.0 3.5 2.694E-03 3322709642.26562 359.90 329.1 -30.9 25.130 140.455 121.082 58.6 128.2 31.4 320 1334 C 13 H 1 A 1.350 115.350 20 329.7 9.3 2.752E-03 3322709647.20312 359.90 329.8 -30.2 25.130 140.480 121.103 59.8 133.6 30.2 320 1334 C 13 H 1 A 1.375 115.375 20 330.1 7.2 2.621E-03 3322709652.12500 359.90 330.2 -29.8 25.130 140.505 121.125 60.0 131.4 30.0 320 1334 C 13 H 1 A 1.400 115.400 20 330.7 8.1 2.244E-03 3322709657.06250 359.90 330.8 -29.2 25.130 140.530 121.147 60.7 132.1 29.3 320 1334 C 13 H 1 A 1.425 115.425 20 331.6 7.7 1.867E-03 3322709662.00000 359.90 331.7 -28.3 25.130 140.555 121.168 61.6 131.3 28.4 320 1334 C 13 H 2 A 0.075 115.575 20 334.8 5.1 1.426E-03 3322710389.96875 359.90 334.9 -25.1 25.130 140.705 121.297 64.4 127.1 25.6 320 1334 C 13 H 2 A 0.100 115.600 20 338.3 4.4 1.253E-03 3322710394.90625 359.90 338.4 -21.6 25.130 140.730 121.319 67.7 124.1 22.3 320 1334 C 13 H 2 A 0.125 115.625 20 344.3 3.3 1.030E-03 3322710399.84375 359.90 344.4 -15.6 25.130 140.755 121.341 73.2 116.6 16.8 320 1334 C 13 H 2 A 0.150 115.650 20 346.3 3.4 8.412E-04 3322710404.76562 359.90 346.4 -13.6 25.130 140.780 121.362 75.1 113.8 14.9 320 1334 C 13 H 2 A 0.175 115.675 20 342.2 4.2 7.406E-04 3322710409.70312 359.90 342.3 -17.7 25.130 140.805 121.384 71.4 120.5 18.6 320 1334 C 13 H 2 A 0.200 115.700 20 340.2 3.3 8.521E-04 3322710414.64062 359.90 340.3 -19.7 25.130 140.830 121.405 69.4 121.1 20.6 320 1334 C 13 H 2 A 0.225 115.725 20 338.8 1.0 9.944E-04 3322710419.56250 359.90 338.9 -21.1 25.130 140.855 121.427 67.7 119.4 22.3 320 1334 C 13 H 2 A 0.250 115.750 20 338.6 -1.4 1.153E-03 3322710424.50000 359.90 338.7 -21.3 25.130 140.880 121.448 67.1 116.7 23.0 320 1334 C 13 H 2 A 0.275 115.775 20 339.1 -2.8 1.333E-03 3322710429.42187 359.90 339.2 -20.8 25.130 140.905 121.470 67.2 114.5 22.8 320 1334 C 13 H 2 A 0.300 115.800 20 342.5 -2.5 1.526E-03 3322710434.35937 359.90 342.6 -17.4 25.130 140.930 121.491 70.3 110.7 19.7 320 1334 C 13 H 2 A 0.325 115.825 20 345.4 -0.9 1.639E-03 3322710439.28125 359.90 345.5 -14.5 25.130 140.955 121.513 73.3 108.4 16.7 320 1334 C 13 H 2 A 0.350 115.850 20 345.6 1.3 1.666E-03 3322710444.21875 359.90 345.7 -14.3 25.130 140.980 121.534 74.0 111.4 16.0 320 1334 C 13 H 2 A 0.375 115.875 20 343.7 3.3 1.662E-03 3322710449.15625 359.90 343.8 -16.2 25.130 141.005 121.556 72.7 117.4 17.3 320 1334 C 13 H 2 A 0.400 115.900 20 342.8 4.2 1.615E-03 3322710454.09375 359.90 342.9 -17.1 25.130 141.030 121.578 72.0 119.8 18.0 320 1334 C 13 H 2 A 0.425 115.925 20 342.5 4.2 1.459E-03 3322710459.01562 359.90 342.6 -17.4 25.130 141.055 121.599 71.7 120.2 18.3 320 1334 C 13 H 2 A 0.450 115.950 20 343.3 3.2 1.403E-03 3322710463.95312 359.90 343.4 -16.6 25.130 141.080 121.621 72.3 117.7 17.7 320 1334 C 13 H 2 A 0.475 115.975 20 344.3 2.3 1.491E-03 3322710468.89062 359.90 344.4 -15.6 25.130 141.105 121.642 73.0 115.0 17.0 320 1334 C 13 H 2 A 0.500 116.000 20 347.8 2.1 2.444E-03 3322710473.82812 359.90 347.9 -12.1 25.130 141.130 121.664 76.1 108.7 13.9 320 1334 C 13 H 2 A 0.525 116.025 20 342.5 4.4 2.105E-03 3322710478.75000 359.90 342.6 -17.4 25.130 141.155 121.685 71.7 120.5 18.3 320 1334 C 13 H 2 A 0.550 116.050 20 342.9 9.5 2.538E-03 3322710483.67187 359.90 343.0 -17.0 25.130 141.180 121.707 72.8 128.3 17.2 320 1334 C 13 H 2 A 0.575 116.075 20 343.8 7.4 2.693E-03 3322710488.60937 359.90 343.9 -16.1 25.130 141.205 121.728 73.4 124.0 16.6 320 1334 C 13 H 2 A 0.600 116.100 20 345.8 7.4 2.569E-03 3322710493.53125 359.90 345.9 -14.1 25.130 141.230 121.750 75.3 121.9 14.7 320 1334 C 13 H 2 A 0.625 116.125 20 348.3 6.1 2.342E-03 3322710498.46875 359.90 348.4 -11.6 25.130 141.255 121.772 77.4 115.5 12.6 320 1334 C 13 H 2 A 0.650 116.150 20 349.1 4.0 2.041E-03 3322710503.40625 359.90 349.2 -10.8 25.130 141.280 121.793 77.7 109.5 12.3 320 1334 C 13 H 2 A 0.675 116.175 20 347.8 2.7 1.777E-03 3322710508.32812 359.90 347.9 -12.1 25.130 141.305 121.815 76.2 109.8 13.8 320 1334 C 13 H 2 A 0.700 116.200 20 344.7 2.7 1.441E-03 3322710513.26562 359.90 344.8 -15.2 25.130 141.330 121.836 73.5 115.1 16.5 320 1334 C 13 H 2 A 0.725 116.225 20 342.9 3.8 1.159E-03 3322710518.18750 359.90 343.0 -17.0 25.130 141.355 121.858 72.0 119.1 18.0 320 1334 C 13 H 2 A 0.750 116.250 20 345.1 4.4 9.524E-04 3322710523.12500 359.90 345.2 -14.8 25.130 141.380 121.879 74.2 117.3 15.8 320 1334 C 13 H 2 A 0.775 116.275 20 348.1 3.1 9.005E-04 3322710528.04687 359.90 348.2 -11.8 25.130 141.405 121.901 76.6 109.9 13.4 320 1334 C 13 H 2 A 0.800 116.300 20 349.2 -3.7 1.106E-03 3322710532.98437 359.90 349.3 -10.7 25.130 141.430 121.922 75.5 95.8 14.5 320 1334 C 13 H 2 A 0.825 116.325 20 349.1 -0.5 1.393E-03 3322710537.92187 359.90 349.2 -10.8 25.130 141.455 121.944 76.4 101.1 13.6 320 1334 C 13 H 2 A 0.850 116.350 20 349.3 -0.4 1.563E-03 3322710542.85937 359.90 349.4 -10.6 25.130 141.480 121.966 76.6 100.7 13.4 320 1334 C 13 H 2 A 0.875 116.375 20 348.8 0.3 1.602E-03 3322710547.78125 359.90 348.9 -11.1 25.130 141.505 121.987 76.4 103.2 13.6 320 1334 C 13 H 2 A 0.900 116.400 20 345.7 1.2 1.595E-03 3322710552.71875 359.90 345.8 -14.2 25.130 141.530 122.009 74.0 111.1 16.0 320 1334 C 13 H 2 A 0.925 116.425 20 344.4 1.9 1.493E-03 3322710557.65625 359.90 344.5 -15.5 25.130 141.555 122.030 73.0 114.3 17.0 320 1334 C 13 H 2 A 0.950 116.450 20 345.4 2.6 1.284E-03 3322710562.57812 359.90 345.5 -14.5 25.130 141.580 122.052 74.1 113.9 15.9 320 1334 C 13 H 2 A 0.975 116.475 20 346.2 3.1 9.252E-04 3322710567.51562 359.90 346.3 -13.7 25.130 141.605 122.073 74.9 113.4 15.1 320 1334 C 13 H 2 A 1.000 116.500 20 346.9 3.3 6.272E-04 3322710572.45312 359.90 347.0 -13.0 25.130 141.630 122.095 75.6 112.6 14.4 320 1334 C 13 H 2 A 1.025 116.525 20 342.2 3.2 3.417E-04 3322710577.37500 359.90 342.3 -17.7 25.130 141.655 122.116 71.3 119.0 18.8 320 1334 C 13 H 2 A 1.050 116.550 20 335.0 4.7 2.192E-04 3322710582.31250 359.90 335.1 -24.9 25.130 141.680 122.138 64.6 126.5 25.4 320 1334 C 13 H 2 A 1.075 116.575 20 328.0 15.5 1.796E-04 3322710587.25000 359.90 328.1 -31.9 25.130 141.705 122.159 58.4 140.1 31.6 320 1334 C 13 H 2 A 1.100 116.600 20 332.2 25.1 2.076E-04 3322710592.17187 359.90 332.3 -27.7 25.130 141.730 122.181 62.3 151.2 27.7 320 1334 C 13 H 2 A 1.125 116.625 20 334.6 23.3 3.278E-04 3322710597.10937 359.90 334.7 -25.3 25.130 141.755 122.203 64.8 149.6 25.2 320 1334 C 13 H 2 A 1.150 116.650 20 334.3 17.3 5.096E-04 3322710602.03125 359.90 334.4 -25.6 25.130 141.780 122.224 64.7 141.8 25.3 320 1334 C 13 H 2 A 1.175 116.675 20 335.7 13.3 7.447E-04 3322710606.96875 359.90 335.8 -24.2 25.130 141.805 122.246 66.0 136.6 24.0 320 1334 C 13 H 2 A 1.200 116.700 20 337.5 11.8 8.530E-04 3322710611.90625 359.90 337.6 -22.4 25.130 141.830 122.267 67.7 134.2 22.3 320 1334 C 13 H 2 A 1.225 116.725 20 342.2 9.1 8.817E-04 3322710616.82812 359.90 342.3 -17.7 25.130 141.855 122.289 72.1 128.1 17.9 320 1334 C 13 H 2 A 1.250 116.750 20 345.8 6.7 8.133E-04 3322710621.76562 359.90 345.9 -14.1 25.130 141.880 122.310 75.2 120.5 14.8 320 1334 C 13 H 2 A 1.275 116.775 20 347.6 4.6 6.785E-04 3322710626.70312 359.90 347.7 -12.3 25.130 141.905 122.332 76.5 113.7 13.5 320 1334 C 13 H 2 A 1.300 116.800 20 349.4 4.1 5.547E-04 3322710631.62500 359.90 349.5 -10.5 25.130 141.930 122.353 78.0 109.0 12.0 320 1334 C 13 H 2 A 1.325 116.825 20 353.4 6.8 4.069E-04 3322710636.56250 359.90 353.5 -6.5 25.130 141.955 122.375 82.1 103.0 7.9 320 1334 C 13 H 2 A 1.350 116.850 20 354.5 11.0 3.378E-04 3322710641.50000 359.90 354.6 -5.4 25.130 141.980 122.397 84.1 113.8 5.9 320 1334 C 13 H 2 A 1.375 116.875 20 347.6 7.7 4.189E-04 3322710646.42187 359.90 347.7 -12.3 25.130 142.005 122.418 77.1 120.1 12.9 320 1334 C 13 H 2 A 1.400 116.900 20 343.4 -0.8 5.386E-04 3322710651.35937 359.90 343.5 -16.5 25.130 142.030 122.440 71.5 111.7 18.5 320 1334 C 13 H 2 A 1.425 116.925 20 347.6 -6.4 6.931E-04 3322710656.28125 359.90 347.7 -12.3 25.130 142.055 122.461 73.4 96.1 16.6 320 1334 C 13 H 3 A 0.075 117.075 20 12.9 3.0 6.791E-04 3322711405.79687 359.90 13.0 13.0 25.130 142.205 122.591 75.5 344.0 14.5 320 1334 C 13 H 3 A 0.100 117.100 20 13.8 9.4 6.336E-04 3322711410.73437 359.90 13.9 13.9 25.130 142.230 122.612 75.8 330.5 14.2 320 1334 C 13 H 3 A 0.125 117.125 20 5.1 11.7 6.652E-04 3322711415.65625 359.90 5.2 5.2 25.130 142.255 122.634 84.4 339.7 5.6 320 1334 C 13 H 3 A 0.150 117.150 20 359.6 10.5 7.159E-04 3322711420.59375 359.90 359.7 -0.3 25.130 142.280 122.655 87.3 54.3 2.7 320 1334 C 13 H 3 A 0.175 117.175 20 353.9 7.6 7.946E-04 3322711425.53125 359.90 354.0 -6.0 25.130 142.305 122.677 82.7 103.3 7.3 320 1334 C 13 H 3 A 0.200 117.200 20 353.4 3.7 1.260E-03 3322711430.46875 359.90 353.5 -6.5 25.130 142.330 122.698 81.1 94.8 8.9 320 1334 C 13 H 3 A 0.225 117.225 20 350.6 4.1 1.063E-03 3322711435.39062 359.90 350.7 -9.3 25.130 142.355 122.720 79.0 105.8 11.0 320 1334 C 13 H 3 A 0.250 117.250 20 353.4 4.1 1.260E-03 3322711440.32812 359.90 353.5 -6.5 25.130 142.380 122.741 81.2 95.8 8.8 320 1334 C 13 H 3 A 0.275 117.275 20 354.3 4.4 1.312E-03 3322711445.26562 359.90 354.4 -5.6 25.130 142.405 122.763 82.0 92.2 8.0 320 1334 C 13 H 3 A 0.300 117.300 20 352.8 3.4 1.329E-03 3322711450.20312 359.90 352.9 -7.1 25.130 142.430 122.784 80.5 96.7 9.5 320 1334 C 13 H 3 A 0.325 117.325 20 349.9 2.7 1.221E-03 3322711455.12500 359.90 350.0 -10.0 25.130 142.455 122.806 78.0 104.8 12.0 320 1334 C 13 H 3 A 0.350 117.350 20 346.3 5.0 1.000E-03 3322711460.06250 359.90 346.4 -13.6 25.130 142.480 122.828 75.4 116.7 14.6 320 1334 C 13 H 3 A 0.375 117.375 20 342.3 8.8 8.419E-04 3322711465.00000 359.90 342.4 -17.6 25.130 142.505 122.849 72.2 127.5 17.9 320 1334 C 13 H 3 A 0.400 117.400 20 338.8 13.8 6.718E-04 3322711469.93750 359.90 338.9 -21.1 25.130 142.530 122.871 69.1 136.7 20.9 320 1334 C 13 H 3 A 0.425 117.425 20 340.7 15.4 5.994E-04 3322711474.85937 359.90 340.8 -19.2 25.130 142.555 122.892 71.0 138.9 19.0 320 1334 C 13 H 3 A 0.450 117.450 20 349.5 11.0 7.025E-04 3322711479.79687 359.90 349.6 -10.4 25.130 142.580 122.914 79.4 125.3 10.6 320 1334 C 13 H 3 A 0.475 117.475 20 354.6 6.5 8.598E-04 3322711484.73437 359.90 354.7 -5.3 25.130 142.605 122.935 82.9 96.4 7.1 320 1334 C 13 H 3 A 0.500 117.500 20 354.4 2.9 8.464E-04 3322711489.65625 359.90 354.5 -5.5 25.130 142.630 122.957 81.5 88.2 8.5 320 1334 C 13 H 3 A 0.525 117.525 20 353.2 -1.1 8.093E-04 3322711494.59375 359.90 353.3 -6.7 25.130 142.655 122.978 79.2 86.3 10.9 320 1334 C 13 H 3 A 0.550 117.550 20 351.3 -3.9 8.226E-04 3322711499.53125 359.90 351.4 -8.6 25.130 142.680 123.000 76.9 89.1 13.1 320 1334 C 13 H 3 A 0.575 117.575 20 350.8 -2.2 9.386E-04 3322711504.45312 359.90 350.9 -9.1 25.130 142.705 123.022 77.2 93.3 12.9 320 1334 C 13 H 3 A 0.600 117.600 20 347.4 0.2 1.039E-03 3322711509.39062 359.90 347.5 -12.5 25.130 142.730 123.043 75.3 106.2 14.8 320 1334 C 13 H 3 A 0.625 117.625 20 347.3 1.5 1.135E-03 3322711514.32812 359.90 347.4 -12.6 25.130 142.755 123.065 75.5 108.6 14.5 320 1334 C 13 H 3 A 0.650 117.650 20 346.8 1.4 1.143E-03 3322711519.25000 359.90 346.9 -13.1 25.130 142.780 123.086 75.0 109.5 15.0 320 1334 C 13 H 3 A 0.675 117.675 20 347.7 0.5 1.160E-03 3322711524.18750 359.90 347.8 -12.2 25.130 142.805 123.108 75.6 106.1 14.4 320 1334 C 13 H 3 A 0.700 117.700 20 349.6 -0.1 1.114E-03 3322711529.12500 359.90 349.7 -10.3 25.130 142.830 123.129 77.0 100.4 13.1 320 1334 C 13 H 3 A 0.725 117.725 20 350.6 0.0 1.001E-03 3322711534.06250 359.90 350.7 -9.3 25.130 142.855 123.151 77.8 97.7 12.2 320 1334 C 13 H 3 A 0.750 117.750 20 349.5 1.0 9.202E-04 3322711538.98437 359.90 349.6 -10.4 25.130 142.880 123.172 77.2 102.6 12.8 320 1334 C 13 H 3 A 0.775 117.775 20 350.3 2.5 8.397E-04 3322711543.92187 359.90 350.4 -9.6 25.130 142.905 123.194 78.3 103.3 11.7 320 1334 C 13 H 3 A 0.800 117.800 20 352.4 2.8 7.661E-04 3322711548.85937 359.90 352.5 -7.5 25.130 142.930 123.216 80.0 97.0 10.0 320 1334 C 13 H 3 A 0.825 117.825 20 354.6 1.2 7.280E-04 3322711553.78125 359.90 354.7 -5.3 25.130 142.955 123.237 80.9 83.8 9.1 320 1334 C 13 H 3 A 0.850 117.850 20 356.7 -0.3 7.286E-04 3322711558.71875 359.90 356.8 -3.2 25.130 142.980 123.259 81.3 69.6 8.8 320 1334 C 13 H 3 A 0.875 117.875 20 356.9 -0.4 7.401E-04 3322711563.65625 359.90 357.0 -3.0 25.130 143.005 123.280 81.3 68.2 8.7 320 1334 C 13 H 3 A 0.900 117.900 20 354.4 0.2 8.730E-04 3322711568.57812 359.90 354.5 -5.5 25.130 143.030 123.302 80.4 83.0 9.6 320 1334 C 13 H 3 A 0.925 117.925 20 353.0 0.7 1.039E-03 3322711573.51562 359.90 353.1 -6.9 25.130 143.055 123.323 79.7 90.3 10.3 320 1334 C 13 H 3 A 0.950 117.950 20 352.2 1.4 1.222E-03 3322711578.45312 359.90 352.3 -7.7 25.130 143.080 123.345 79.4 94.8 10.6 320 1334 C 13 H 3 A 0.975 117.975 20 353.8 1.8 1.399E-03 3322711583.37500 359.90 353.9 -6.1 25.130 143.105 123.366 80.7 88.9 9.4 320 1334 C 13 H 3 A 1.000 118.000 20 356.7 2.2 1.561E-03 3322711588.31250 359.90 356.8 -3.2 25.130 143.130 123.388 82.4 73.0 7.6 320 1334 C 13 H 3 A 1.025 118.025 20 357.7 2.2 1.620E-03 3322711593.25000 359.90 357.8 -2.2 25.130 143.155 123.409 82.8 65.8 7.2 320 1334 C 13 H 3 A 1.050 118.050 20 356.8 1.9 1.649E-03 3322711598.18750 359.90 356.9 -3.1 25.130 143.180 123.431 82.3 71.8 7.7 320 1334 C 13 H 3 A 1.075 118.075 20 354.6 2.1 1.596E-03 3322711603.10937 359.90 354.7 -5.3 25.130 143.205 123.453 81.3 85.5 8.7 320 1334 C 13 H 3 A 1.100 118.100 20 351.4 2.5 1.520E-03 3322711608.04687 359.90 351.5 -8.5 25.130 143.230 123.474 79.2 99.9 10.8 320 1334 C 13 H 3 A 1.125 118.125 20 349.1 2.7 1.469E-03 3322711612.98437 359.90 349.2 -10.8 25.130 143.255 123.496 77.4 106.9 12.7 320 1334 C 13 H 3 A 1.150 118.150 20 348.6 2.8 1.467E-03 3322711617.90625 359.90 348.7 -11.3 25.130 143.280 123.517 77.0 108.2 13.1 320 1334 C 13 H 3 A 1.175 118.175 20 349.4 2.0 1.497E-03 3322711622.84375 359.90 349.5 -10.5 25.130 143.305 123.539 77.4 104.8 12.6 320 1334 C 13 H 3 A 1.200 118.200 20 349.8 0.7 1.487E-03 3322711627.78125 359.90 349.9 -10.1 25.130 143.330 123.560 77.4 101.3 12.6 320 1334 C 13 H 3 A 1.225 118.225 20 350.3 0.3 1.493E-03 3322711632.70312 359.90 350.4 -9.6 25.130 143.355 123.582 77.6 99.1 12.4 320 1334 C 13 H 3 A 1.250 118.250 20 350.5 1.7 1.454E-03 3322711637.64062 359.90 350.6 -9.4 25.130 143.380 123.603 78.2 101.1 11.8 320 1334 C 13 H 3 A 1.275 118.275 20 350.5 4.3 1.357E-03 3322711642.57812 359.90 350.6 -9.4 25.130 143.405 123.625 79.0 106.5 11.0 320 1334 C 13 H 3 A 1.300 118.300 20 350.5 6.3 1.232E-03 3322711647.50000 359.90 350.6 -9.4 25.130 143.430 123.647 79.5 111.2 10.5 320 1334 C 13 H 3 A 1.325 118.325 20 348.1 6.5 1.077E-03 3322711652.43750 359.90 348.2 -11.8 25.130 143.455 123.668 77.3 116.7 12.7 320 1334 C 13 H 3 A 1.350 118.350 20 348.1 4.9 9.790E-04 3322711657.37500 359.90 348.2 -11.8 25.130 143.480 123.690 77.0 113.4 13.0 320 1334 C 13 H 3 A 1.375 118.375 20 350.6 1.4 8.850E-04 3322711662.29687 359.90 350.7 -9.3 25.130 143.505 123.711 78.2 100.3 11.8 320 1334 C 13 H 3 A 1.400 118.400 20 352.0 -1.7 7.977E-04 3322711667.23437 359.90 352.1 -7.9 25.130 143.530 123.733 78.2 90.1 11.9 320 1334 C 13 H 3 A 1.425 118.425 20 354.2 -3.3 7.507E-04 3322711672.15625 359.90 354.3 -5.7 25.130 143.555 123.754 78.8 78.8 11.2 320 1334 C 13 H 4 A 0.075 118.575 20 7.5 1.2 5.003E-04 3322712411.15625 359.90 7.6 7.6 25.130 143.705 123.884 79.4 2.0 10.6 320 1334 C 13 H 4 A 0.100 118.600 20 9.7 -1.7 4.626E-04 3322712416.07812 359.90 9.8 9.8 25.130 143.730 123.905 76.8 359.8 13.2 320 1334 C 13 H 4 A 0.125 118.625 20 10.5 -4.9 5.242E-04 3322712421.01562 359.90 10.6 10.6 25.130 143.755 123.927 75.1 2.3 14.9 320 1334 C 13 H 4 A 0.150 118.650 20 7.7 -6.0 6.496E-04 3322712425.93750 359.90 7.8 7.8 25.130 143.780 123.948 76.5 12.5 13.5 320 1334 C 13 H 4 A 0.175 118.675 20 1.6 -2.8 1.320E-03 3322712430.87500 359.90 1.7 1.7 25.130 143.805 123.970 80.5 37.7 9.6 320 1334 C 13 H 4 A 0.200 118.700 20 0.0 -1.7 1.025E-03 3322712435.79687 359.90 0.1 0.1 25.130 143.830 123.991 81.2 47.4 8.9 320 1334 C 13 H 4 A 0.225 118.725 20 359.6 0.0 1.055E-03 3322712440.73437 359.90 359.7 -0.3 25.130 143.855 124.013 82.0 50.2 8.0 320 1334 C 13 H 4 A 0.250 118.750 20 1.3 1.1 9.906E-04 3322712445.65625 359.90 1.4 1.4 25.130 143.880 124.034 82.4 37.4 7.6 320 1334 C 13 H 4 A 0.275 118.775 20 3.8 0.7 9.384E-04 3322712450.59375 359.90 3.9 3.9 25.130 143.905 124.056 81.4 20.9 8.6 320 1334 C 13 H 4 A 0.300 118.800 20 6.5 -1.3 9.751E-04 3322712455.53125 359.90 6.6 6.6 25.130 143.930 124.078 79.1 10.5 10.9 320 1334 C 13 H 4 A 0.325 118.825 20 6.8 -3.3 1.032E-03 3322712460.45312 359.90 6.9 6.9 25.130 143.955 124.099 78.2 12.3 11.9 320 1334 C 13 H 4 A 0.350 118.850 20 4.5 -4.9 1.183E-03 3322712465.39062 359.90 4.6 4.6 25.130 143.980 124.121 78.6 24.2 11.4 320 1334 C 13 H 4 A 0.375 118.875 20 2.0 -5.3 1.308E-03 3322712470.31250 359.90 2.1 2.1 25.130 144.005 124.142 79.1 36.8 10.9 320 1334 C 13 H 4 A 0.400 118.900 20 358.7 -5.2 1.431E-03 3322712475.25000 359.90 358.8 -1.2 25.130 144.030 124.164 79.3 54.5 10.7 320 1334 C 13 H 4 A 0.425 118.925 20 356.3 -4.9 1.518E-03 3322712480.18750 359.90 356.4 -3.6 25.130 144.055 124.185 79.0 67.1 11.1 320 1334 C 13 H 4 A 0.450 118.950 20 354.9 -4.6 1.612E-03 3322712485.10937 359.90 355.0 -5.0 25.130 144.080 124.207 78.6 74.1 11.5 320 1334 C 13 H 4 A 0.475 118.975 20 354.6 -5.2 1.704E-03 3322712490.04687 359.90 354.7 -5.3 25.130 144.105 124.228 78.2 74.7 11.9 320 1334 C 13 H 4 A 0.500 119.000 20 355.6 -6.3 1.640E-03 3322712494.98437 359.90 355.7 -4.3 25.130 144.130 124.250 78.0 69.2 12.0 320 1334 C 13 H 4 A 0.525 119.025 20 357.0 -7.2 1.502E-03 3322712499.90625 359.90 357.1 -2.9 25.130 144.155 124.272 78.0 62.1 12.0 320 1334 C 13 H 4 A 0.550 119.050 20 358.3 -6.5 1.328E-03 3322712504.84375 359.90 358.4 -1.6 25.130 144.180 124.293 78.6 56.2 11.4 320 1334 C 13 H 4 A 0.575 119.075 20 359.8 -4.1 1.185E-03 3322712509.78125 359.90 359.9 -0.1 25.130 144.205 124.315 80.0 48.6 10.1 320 1334 C 13 H 4 A 0.600 119.100 20 0.9 -1.7 1.115E-03 3322712514.70312 359.90 1.0 1.0 25.130 144.230 124.336 81.1 41.6 8.9 320 1334 C 13 H 4 A 0.625 119.125 20 2.3 0.6 1.090E-03 3322712519.64062 359.90 2.4 2.4 25.130 144.255 124.358 81.9 30.7 8.1 320 1334 C 13 H 4 A 0.650 119.150 20 1.2 2.3 1.077E-03 3322712524.56250 359.90 1.3 1.3 25.130 144.280 124.379 83.0 37.3 7.0 320 1334 C 13 H 4 A 0.675 119.175 20 1.0 4.0 1.051E-03 3322712529.50000 359.90 1.1 1.1 25.130 144.305 124.401 83.9 37.6 6.1 320 1334 C 13 H 4 A 0.700 119.200 20 359.8 5.5 9.890E-04 3322712534.42187 359.90 359.9 -0.1 25.130 144.330 124.422 84.8 49.1 5.2 320 1334 C 13 H 4 A 0.725 119.225 20 356.8 7.9 8.986E-04 3322712539.35937 359.90 356.9 -3.1 25.130 144.355 124.444 84.9 85.6 5.1 320 1334 C 13 H 4 A 0.750 119.250 20 353.8 9.4 8.466E-04 3322712544.28125 359.90 353.9 -6.1 25.130 144.380 124.466 83.1 110.1 6.9 320 1334 C 13 H 4 A 0.775 119.275 20 354.0 9.5 7.985E-04 3322712549.21875 359.90 354.1 -5.9 25.130 144.405 124.487 83.3 109.6 6.7 320 1334 C 13 H 4 A 0.800 119.300 20 357.0 7.1 8.817E-04 3322712554.15625 359.90 357.1 -2.9 25.130 144.430 124.509 84.7 81.2 5.3 320 1334 C 13 H 4 A 0.825 119.325 20 1.5 3.8 1.020E-03 3322712559.07812 359.90 1.6 1.6 25.130 144.455 124.530 83.7 33.3 6.3 320 1334 C 13 H 4 A 0.850 119.350 20 2.9 1.6 1.125E-03 3322712564.01562 359.90 3.0 3.0 25.130 144.480 124.552 82.2 25.3 7.8 320 1334 C 13 H 4 A 0.875 119.375 20 1.5 -0.7 1.336E-03 3322712568.95312 359.90 1.6 1.6 25.130 144.505 124.573 81.5 37.1 8.5 320 1334 C 13 H 4 A 0.900 119.400 20 0.7 -2.1 2.189E-03 3322712573.87500 359.90 0.8 0.8 25.130 144.530 124.595 80.9 43.0 9.1 320 1334 C 13 H 4 A 0.925 119.425 20 1.8 -3.8 1.962E-03 3322712578.81250 359.90 1.9 1.9 25.130 144.555 124.616 79.9 37.1 10.1 320 1334 C 13 H 4 A 0.950 119.450 20 2.2 -4.1 2.105E-03 3322712583.75000 359.90 2.3 2.3 25.130 144.580 124.638 79.7 35.1 10.3 320 1334 C 13 H 4 A 0.975 119.475 20 3.8 -3.9 2.073E-03 3322712588.67187 359.90 3.9 3.9 25.130 144.605 124.659 79.3 26.5 10.7 320 1334 C 13 H 4 A 1.000 119.500 20 4.9 -3.4 1.990E-03 3322712593.60937 359.90 5.0 5.0 25.130 144.630 124.681 79.1 20.6 10.9 320 1334 C 13 H 4 A 1.025 119.525 20 5.6 -2.6 1.914E-03 3322712598.54687 359.90 5.7 5.7 25.130 144.655 124.703 79.1 16.4 10.9 320 1334 C 13 H 4 A 1.050 119.550 20 7.2 -1.3 1.843E-03 3322712603.48437 359.90 7.3 7.3 25.130 144.680 124.724 78.7 7.6 11.3 320 1334 C 13 H 4 A 1.075 119.575 20 8.8 -0.3 1.757E-03 3322712608.40625 359.90 8.9 8.9 25.130 144.705 124.746 78.0 0.2 12.1 320 1334 C 13 H 4 A 1.100 119.600 20 9.4 0.4 1.701E-03 3322712613.34375 359.90 9.5 9.5 25.130 144.730 124.767 77.7 357.1 12.3 320 1334 C 13 H 4 A 1.125 119.625 20 6.9 1.0 1.672E-03 3322712618.28125 359.90 7.0 7.0 25.130 144.755 124.789 79.8 4.8 10.2 320 1334 C 13 H 4 A 1.150 119.650 20 2.3 1.4 1.757E-03 3322712623.21875 359.90 2.4 2.4 25.130 144.780 124.810 82.3 29.8 7.7 320 1334 C 13 H 4 A 1.175 119.675 20 0.0 1.2 1.906E-03 3322712628.14062 359.90 0.1 0.1 25.130 144.805 124.832 82.6 47.3 7.4 320 1334 C 13 H 4 A 1.200 119.700 20 359.6 0.6 1.962E-03 3322712633.07812 359.90 359.7 -0.3 25.130 144.830 124.853 82.3 50.3 7.7 320 1334 C 13 H 4 A 1.225 119.725 20 0.7 0.5 1.893E-03 3322712638.01562 359.90 0.8 0.8 25.130 144.855 124.875 82.2 42.1 7.8 320 1334 C 13 H 4 A 1.250 119.750 20 1.8 1.9 1.649E-03 3322712642.93750 359.90 1.9 1.9 25.130 144.880 124.897 82.7 32.9 7.3 320 1334 C 13 H 4 A 1.275 119.775 20 2.1 6.0 1.200E-03 3322712647.87500 359.90 2.2 2.2 25.130 144.905 124.918 84.6 24.2 5.5 320 1334 C 13 H 4 A 1.300 119.800 20 1.3 20.0 5.236E-04 3322712652.79687 359.90 1.4 1.4 25.130 144.930 124.940 87.3 258.8 2.7 320 1334 C 13 H 4 A 1.325 119.825 20 1.8 24.9 5.541E-04 3322712657.73437 359.90 1.9 1.9 25.130 144.955 124.961 84.6 248.1 5.4 320 1334 C 13 H 4 A 1.350 119.850 20 5.8 36.7 4.239E-04 3322712662.65625 359.90 5.9 5.9 25.130 144.980 124.983 76.3 252.1 13.7 320 1334 C 13 H 4 A 1.375 119.875 20 13.2 44.9 3.162E-04 3322712667.59375 359.90 13.3 13.3 25.130 145.005 125.004 67.6 260.8 22.4 320 1334 C 13 H 4 A 1.400 119.900 20 12.7 43.4 2.571E-04 3322712672.53125 359.90 12.8 12.8 25.130 145.030 125.026 68.8 261.7 21.2 320 1334 C 13 H 4 A 1.425 119.925 20 6.9 23.7 3.220E-04 3322712677.46875 359.90 7.0 7.0 25.130 145.055 125.047 81.8 285.0 8.2 320 1334 C 13 H 5 A 0.075 120.075 20 12.4 4.5 1.367E-03 3322713463.32812 359.90 12.5 12.5 25.130 145.205 125.177 76.3 342.2 13.7 320 1334 C 13 H 5 A 0.100 120.100 20 12.4 2.4 1.423E-03 3322713468.26562 359.90 12.5 12.5 25.130 145.230 125.198 75.8 346.0 14.2 320 1334 C 13 H 5 A 0.125 120.125 20 13.5 1.0 1.484E-03 3322713473.18750 359.90 13.6 13.6 25.130 145.255 125.220 74.5 346.3 15.5 320 1334 C 13 H 5 A 0.150 120.150 20 15.4 1.3 1.478E-03 3322713478.12500 359.90 15.5 15.5 25.130 145.280 125.241 72.9 342.7 17.1 320 1334 C 13 H 5 A 0.175 120.175 20 16.6 2.4 1.414E-03 3322713483.04687 359.90 16.7 16.7 25.130 145.305 125.263 72.0 339.4 18.0 320 1334 C 13 H 5 A 0.200 120.200 20 16.2 3.1 1.369E-03 3322713487.98437 359.90 16.3 16.3 25.130 145.330 125.284 72.5 338.9 17.5 320 1334 C 13 H 5 A 0.225 120.225 20 15.2 4.0 1.309E-03 3322713492.90625 359.90 15.3 15.3 25.130 145.355 125.306 73.6 338.7 16.4 320 1334 C 13 H 5 A 0.250 120.250 20 13.2 4.7 1.345E-03 3322713497.84375 359.90 13.3 13.3 25.130 145.380 125.328 75.6 340.4 14.4 320 1334 C 13 H 5 A 0.275 120.275 20 11.5 4.8 1.366E-03 3322713502.78125 359.90 11.6 11.6 25.130 145.405 125.349 77.2 343.3 12.8 320 1334 C 13 H 5 A 0.300 120.300 20 8.1 3.4 1.439E-03 3322713507.70312 359.90 8.2 8.2 25.130 145.430 125.371 79.7 355.3 10.3 320 1334 C 13 H 5 A 0.325 120.325 20 4.8 1.0 1.535E-03 3322713512.64062 359.90 4.9 4.9 25.130 145.455 125.392 81.1 14.7 9.0 320 1334 C 13 H 5 A 0.350 120.350 20 2.1 -0.1 2.198E-03 3322713517.56250 359.90 2.2 2.2 25.130 145.480 125.414 81.7 32.7 8.3 320 1334 C 13 H 5 A 0.375 120.375 20 3.6 -0.1 1.950E-03 3322713522.50000 359.90 3.7 3.7 25.130 145.505 125.435 81.2 23.2 8.9 320 1334 C 13 H 5 A 0.400 120.400 20 7.7 0.1 2.092E-03 3322713527.43750 359.90 7.8 7.8 25.130 145.530 125.457 78.9 3.3 11.1 320 1334 C 13 H 5 A 0.425 120.425 20 12.4 0.4 2.165E-03 3322713532.35937 359.90 12.5 12.5 25.130 145.555 125.478 75.3 349.5 14.7 320 1334 C 13 H 5 A 0.450 120.450 20 15.6 1.1 2.205E-03 3322713537.29687 359.90 15.7 15.7 25.130 145.580 125.500 72.7 342.7 17.3 320 1334 C 13 H 5 A 0.475 120.475 20 15.4 2.3 2.012E-03 3322713542.23437 359.90 15.5 15.5 25.130 145.605 125.522 73.1 341.2 16.9 320 1334 C 13 H 5 A 0.500 120.500 20 14.0 3.7 1.661E-03 3322713547.15625 359.90 14.1 14.1 25.130 145.630 125.543 74.7 340.9 15.3 320 1334 C 13 H 5 A 0.525 120.525 20 13.1 5.2 1.260E-03 3322713552.09375 359.90 13.2 13.2 25.130 145.655 125.565 75.8 339.6 14.2 320 1334 C 13 H 5 A 0.550 120.550 20 56.5 21.3 2.904E-04 3322713557.03125 359.90 56.6 56.6 25.130 145.680 125.586 34.2 310.1 55.8 320 1334 C 13 H 5 A 0.575 120.575 20 15.8 6.7 8.034E-04 3322713561.95312 359.90 15.9 15.9 25.130 145.705 125.608 73.5 333.5 16.5 320 1334 C 13 H 5 A 0.600 120.600 20 17.6 8.5 5.908E-04 3322713566.89062 359.90 17.7 17.7 25.130 145.730 125.629 72.0 328.9 18.0 320 1334 C 13 H 5 A 0.625 120.625 20 17.5 11.8 4.435E-04 3322713571.81250 359.90 17.6 17.6 25.130 145.755 125.651 72.4 323.6 17.6 320 1334 C 13 H 5 A 0.650 120.650 20 11.8 13.6 4.599E-04 3322713576.75000 359.90 11.9 11.9 25.130 145.780 125.672 78.2 322.6 11.9 320 1334 C 13 H 5 A 0.675 120.675 20 8.2 10.9 5.787E-04 3322713581.67187 359.90 8.3 8.3 25.130 145.805 125.694 81.4 334.4 8.6 320 1334 C 13 H 5 A 0.700 120.700 20 8.3 7.3 6.564E-04 3322713586.60937 359.90 8.4 8.4 25.130 145.830 125.716 80.6 345.0 9.4 320 1334 C 13 H 5 A 0.725 120.725 20 10.4 5.4 6.944E-04 3322713591.53125 359.90 10.5 10.5 25.130 145.855 125.737 78.3 344.3 11.7 320 1334 C 13 H 5 A 0.750 120.750 20 12.5 7.7 6.825E-04 3322713596.46875 359.90 12.6 12.6 25.130 145.880 125.759 76.8 335.6 13.2 320 1334 C 13 H 5 A 0.775 120.775 20 13.4 13.3 6.561E-04 3322713601.40625 359.90 13.5 13.5 25.130 145.905 125.780 76.6 322.5 13.5 320 1334 C 13 H 5 A 0.800 120.800 20 12.5 21.2 6.567E-04 3322713606.32812 359.90 12.6 12.6 25.130 145.930 125.802 77.2 303.6 12.8 320 1334 C 13 H 5 A 0.825 120.825 20 10.9 34.2 7.408E-04 3322713611.26562 359.90 11.0 11.0 25.130 145.955 125.823 74.8 271.7 15.2 320 1334 C 13 H 5 A 0.850 120.850 20 9.5 27.2 7.357E-04 3322713616.18750 359.90 9.6 9.6 25.130 145.980 125.845 78.6 282.9 11.4 320 1334 C 13 H 5 A 0.875 120.875 20 8.8 26.0 8.688E-04 3322713621.12500 359.90 8.9 8.9 25.130 146.005 125.866 79.6 284.1 10.4 320 1334 C 13 H 5 A 0.900 120.900 20 10.1 24.2 1.076E-03 3322713626.06250 359.90 10.2 10.2 25.130 146.030 125.888 78.9 292.2 11.1 320 1334 C 13 H 5 A 0.925 120.925 20 13.1 23.0 1.221E-03 3322713630.98437 359.90 13.2 13.2 25.130 146.055 125.909 76.4 299.9 13.6 320 1334 C 13 H 5 A 0.950 120.950 20 11.2 20.3 1.335E-03 3322713635.92187 359.90 11.3 11.3 25.130 146.080 125.931 78.6 304.6 11.4 320 1334 C 13 H 5 A 0.975 120.975 20 11.5 17.0 1.374E-03 3322713640.85937 359.90 11.6 11.6 25.130 146.105 125.953 78.5 313.8 11.5 320 1334 C 13 H 5 A 1.000 121.000 20 13.4 13.2 1.393E-03 3322713645.78125 359.90 13.5 13.5 25.130 146.130 125.974 76.6 322.7 13.5 320 1334 C 13 H 5 A 1.025 121.025 20 14.6 8.0 1.448E-03 3322713650.71875 359.90 14.7 14.7 25.130 146.155 125.996 74.9 332.4 15.2 320 1334 C 13 H 5 A 1.050 121.050 20 16.6 3.3 1.535E-03 3322713655.65625 359.90 16.7 16.7 25.130 146.180 126.017 72.2 338.1 17.8 320 1334 C 13 H 5 A 1.075 121.075 20 16.1 -2.6 1.565E-03 3322713660.57812 359.90 16.2 16.2 25.130 146.205 126.039 71.4 347.3 18.6 320 1334 C 13 H 5 A 1.100 121.100 20 14.2 -1.0 1.580E-03 3322713665.51562 359.90 14.3 14.3 25.130 146.230 126.060 73.4 348.2 16.6 320 1334 C 13 H 5 A 1.125 121.125 20 12.4 0.2 1.628E-03 3322713670.43750 359.90 12.5 12.5 25.130 146.255 126.082 75.3 349.8 14.8 320 1334 C 13 H 5 A 1.150 121.150 20 7.5 1.0 2.555E-03 3322713675.37500 359.90 7.6 7.6 25.130 146.280 126.103 79.3 2.4 10.7 320 1334 C 13 H 5 A 1.175 121.175 20 10.9 1.8 1.947E-03 3322713680.31250 359.90 11.0 11.0 25.130 146.305 126.125 76.9 350.4 13.1 320 1334 C 13 H 5 A 1.200 121.200 20 14.9 2.0 2.113E-03 3322713685.23437 359.90 15.0 15.0 25.130 146.330 126.147 73.5 342.4 16.5 320 1334 C 13 H 5 A 1.225 121.225 20 16.9 2.6 2.144E-03 3322713690.17187 359.90 17.0 17.0 25.130 146.355 126.168 71.8 338.8 18.2 320 1334 C 13 H 5 A 1.250 121.250 20 15.5 3.4 2.038E-03 3322713695.10937 359.90 15.6 15.6 25.130 146.380 126.190 73.2 339.3 16.8 320 1334 C 13 H 5 A 1.275 121.275 20 15.1 4.7 1.822E-03 3322713700.03125 359.90 15.2 15.2 25.130 146.405 126.211 73.9 337.7 16.2 320 1334 C 13 H 5 A 1.300 121.300 20 15.0 6.3 1.670E-03 3322713704.96875 359.90 15.1 15.1 25.130 146.430 126.233 74.2 335.0 15.8 320 1334 C 13 H 5 A 1.325 121.325 20 15.8 8.2 1.553E-03 3322713709.90625 359.90 15.9 15.9 25.130 146.455 126.254 73.7 330.9 16.3 320 1334 C 13 H 5 A 1.350 121.350 20 16.4 9.0 1.575E-03 3322713714.82812 359.90 16.5 16.5 25.130 146.480 126.276 73.2 329.0 16.8 320 1334 C 13 H 5 A 1.375 121.375 20 17.3 7.9 1.643E-03 3322713719.76562 359.90 17.4 17.4 25.130 146.505 126.297 72.2 330.1 17.8 320 1334 C 13 H 5 A 1.400 121.400 20 18.0 5.3 1.630E-03 3322713724.68750 359.90 18.1 18.1 25.130 146.530 126.319 71.2 333.6 18.8 320 1334 C 13 H 5 A 1.425 121.425 20 18.8 2.1 1.673E-03 3322713729.62500 359.90 18.9 18.9 25.130 146.555 126.341 69.9 337.3 20.1 320 1334 C 13 H 6 A 0.075 121.575 20 22.4 2.4 1.609E-03 3322714508.15625 359.90 22.5 22.5 25.130 146.705 126.470 66.6 333.8 23.4 320 1334 C 13 H 6 A 0.100 121.600 20 24.5 0.3 1.673E-03 3322714513.07812 359.90 24.6 24.6 25.130 146.730 126.491 64.3 334.6 25.7 320 1334 C 13 H 6 A 0.125 121.625 20 25.6 -0.6 1.598E-03 3322714518.01562 359.90 25.7 25.7 25.130 146.755 126.513 63.1 334.8 26.9 320 1334 C 13 H 6 A 0.150 121.650 20 24.5 0.7 1.377E-03 3322714522.93750 359.90 24.6 24.6 25.130 146.780 126.534 64.3 334.2 25.7 320 1334 C 13 H 6 A 0.175 121.675 20 21.0 4.1 1.229E-03 3322714527.87500 359.90 21.1 21.1 25.130 146.805 126.556 68.2 332.7 21.8 320 1334 C 13 H 6 A 0.200 121.700 20 23.3 7.7 1.147E-03 3322714532.79687 359.90 23.4 23.4 25.130 146.830 126.578 66.4 326.7 23.6 320 1334 C 13 H 6 A 0.225 121.725 20 24.9 8.3 1.215E-03 3322714537.73437 359.90 25.0 25.0 25.130 146.855 126.599 64.9 325.3 25.2 320 1334 C 13 H 6 A 0.250 121.750 20 24.4 7.6 1.302E-03 3322714542.65625 359.90 24.5 24.5 25.130 146.880 126.621 65.3 326.3 24.7 320 1334 C 13 H 6 A 0.275 121.775 20 25.6 6.8 1.360E-03 3322714547.59375 359.90 25.7 25.7 25.130 146.905 126.642 64.0 326.7 26.0 320 1334 C 13 H 6 A 0.300 121.800 20 27.1 7.0 1.351E-03 3322714552.53125 359.90 27.2 27.2 25.130 146.930 126.664 62.6 325.9 27.4 320 1334 C 13 H 6 A 0.325 121.825 20 28.6 7.8 1.300E-03 3322714557.45312 359.90 28.7 28.7 25.130 146.955 126.685 61.2 324.5 28.8 320 1334 C 13 H 6 A 0.350 121.850 20 28.1 7.6 1.342E-03 3322714562.39062 359.90 28.2 28.2 25.130 146.980 126.707 61.7 324.9 28.4 320 1334 C 13 H 6 A 0.375 121.875 20 27.3 7.4 1.480E-03 3322714567.32812 359.90 27.4 27.4 25.130 147.005 126.728 62.4 325.4 27.6 320 1334 C 13 H 6 A 0.400 121.900 20 27.8 7.9 1.630E-03 3322714572.25000 359.90 27.9 27.9 25.130 147.030 126.750 62.0 324.6 28.0 320 1334 C 13 H 6 A 0.425 121.925 20 28.0 8.5 1.723E-03 3322714577.18750 359.90 28.1 28.1 25.130 147.055 126.772 61.8 323.9 28.2 320 1334 C 13 H 6 A 0.450 121.950 20 27.1 8.3 1.765E-03 3322714582.12500 359.90 27.2 27.2 25.130 147.080 126.793 62.7 324.5 27.3 320 1334 C 13 H 6 A 0.475 121.975 20 25.7 7.4 1.768E-03 3322714587.04687 359.90 25.8 25.8 25.130 147.105 126.815 64.0 326.0 26.0 320 1334 C 13 H 6 A 0.500 122.000 20 25.8 5.7 1.760E-03 3322714591.98437 359.90 25.9 25.9 25.130 147.130 126.836 63.7 327.9 26.3 320 1334 C 13 H 6 A 0.525 122.025 20 26.6 3.3 1.700E-03 3322714596.92187 359.90 26.7 26.7 25.130 147.155 126.858 62.7 330.1 27.3 320 1334 C 13 H 6 A 0.550 122.050 20 27.6 1.4 1.673E-03 3322714601.85937 359.90 27.7 27.7 25.130 147.180 126.879 61.5 331.5 28.6 320 1334 C 13 H 6 A 0.575 122.075 20 30.3 0.5 1.572E-03 3322714606.78125 359.90 30.4 30.4 25.130 147.205 126.901 58.7 330.9 31.3 320 1334 C 13 H 6 A 0.600 122.100 20 32.5 0.9 1.538E-03 3322714611.71875 359.90 32.6 32.6 25.130 147.230 126.922 56.7 329.5 33.4 320 1334 C 13 H 6 A 0.625 122.125 20 33.6 2.4 1.475E-03 3322714616.65625 359.90 33.7 33.7 25.130 147.255 126.944 55.8 327.8 34.3 320 1334 C 13 H 6 A 0.650 122.150 20 34.6 4.1 1.338E-03 3322714621.57812 359.90 34.7 34.7 25.130 147.280 126.966 55.0 325.9 35.1 320 1334 C 13 H 6 A 0.675 122.175 20 33.9 6.1 1.091E-03 3322714626.51562 359.90 34.0 34.0 25.130 147.305 126.987 55.8 324.4 34.2 320 1334 C 13 H 6 A 0.700 122.200 20 34.1 9.9 8.309E-04 3322714631.43750 359.90 34.2 34.2 25.130 147.330 127.009 55.9 321.0 34.1 320 1334 C 13 H 6 A 0.725 122.225 20 35.1 16.4 5.437E-04 3322714636.37500 359.90 35.2 35.2 25.130 147.355 127.030 55.2 314.9 34.8 320 1334 C 13 H 6 A 0.750 122.250 20 37.8 24.7 3.705E-04 3322714641.29687 359.90 37.9 37.9 25.130 147.380 127.052 52.4 307.2 37.6 320 1334 C 13 H 6 A 0.775 122.275 20 40.9 28.3 3.228E-04 3322714646.23437 359.90 41.0 41.0 25.130 147.405 127.073 49.3 304.2 40.7 320 1334 C 13 H 6 A 0.800 122.300 20 44.2 26.9 3.495E-04 3322714651.15625 359.90 44.3 44.3 25.130 147.430 127.095 46.2 305.8 43.9 320 1334 C 13 H 6 A 0.825 122.325 20 47.3 26.7 3.811E-04 3322714656.09375 359.90 47.4 47.4 25.130 147.455 127.116 43.2 306.2 46.8 320 1334 C 13 H 6 A 0.850 122.350 20 44.2 26.6 3.971E-04 3322714661.03125 359.90 44.3 44.3 25.130 147.480 127.138 46.2 306.0 43.8 320 1334 C 13 H 6 A 0.875 122.375 20 39.4 25.1 4.051E-04 3322714665.95312 359.90 39.5 39.5 25.130 147.505 127.159 50.9 307.0 39.1 320 1334 C 13 H 6 A 0.900 122.400 20 32.2 20.5 4.730E-04 3322714670.89062 359.90 32.3 32.3 25.130 147.530 127.181 58.0 310.8 32.0 320 1334 C 13 H 6 A 0.925 122.425 20 29.7 18.7 5.325E-04 3322714675.81250 359.90 29.8 29.8 25.130 147.555 127.203 60.5 312.6 29.5 320 1334 C 13 H 6 A 0.950 122.450 20 30.1 18.2 5.898E-04 3322714680.75000 359.90 30.2 30.2 25.130 147.580 127.224 60.1 313.2 29.9 320 1334 C 13 H 6 A 0.975 122.475 20 31.1 19.5 5.938E-04 3322714685.68750 359.90 31.2 31.2 25.130 147.605 127.246 59.1 311.8 30.9 320 1334 C 13 H 6 A 1.000 122.500 20 31.5 22.8 5.360E-04 3322714690.60937 359.90 31.6 31.6 25.130 147.630 127.267 58.7 308.3 31.4 320 1334 C 13 H 6 A 1.025 122.525 20 29.9 22.3 5.284E-04 3322714695.54687 359.90 30.0 30.0 25.130 147.655 127.289 60.2 308.7 29.8 320 1334 C 13 H 6 A 1.050 122.550 20 32.7 19.3 5.613E-04 3322714700.48437 359.90 32.8 32.8 25.130 147.680 127.310 57.6 312.1 32.4 320 1334 C 13 H 6 A 1.075 122.575 20 33.5 15.1 6.602E-04 3322714705.40625 359.90 33.6 33.6 25.130 147.705 127.332 56.7 316.2 33.3 320 1334 C 13 H 6 A 1.100 122.600 20 29.7 12.1 7.686E-04 3322714710.34375 359.90 29.8 29.8 25.130 147.730 127.353 60.4 319.7 29.6 320 1334 C 13 H 6 A 1.125 122.625 20 25.9 10.5 9.327E-04 3322714715.28125 359.90 26.0 26.0 25.130 147.755 127.375 64.0 322.4 26.0 320 1334 C 13 H 6 A 1.150 122.650 20 23.2 9.3 1.170E-03 3322714720.20312 359.90 23.3 23.3 25.130 147.780 127.397 66.6 324.8 23.4 320 1334 C 13 H 6 A 1.175 122.675 20 24.0 9.1 1.315E-03 3322714725.14062 359.90 24.1 24.1 25.130 147.805 127.418 65.8 324.7 24.2 320 1334 C 13 H 6 A 1.200 122.700 20 24.2 8.8 1.417E-03 3322714730.07812 359.90 24.3 24.3 25.130 147.830 127.440 65.6 325.0 24.4 320 1334 C 13 H 6 A 1.225 122.725 20 23.8 9.6 1.453E-03 3322714735.00000 359.90 23.9 23.9 25.130 147.855 127.461 66.0 324.2 24.0 320 1334 C 13 H 6 A 1.250 122.750 20 23.3 16.8 1.513E-03 3322714739.93750 359.90 23.4 23.4 25.130 147.880 127.483 66.8 314.9 23.2 320 1334 C 13 H 6 A 1.275 122.775 20 23.0 13.5 1.565E-03 3322714744.85937 359.90 23.1 23.1 25.130 147.905 127.504 67.1 319.4 22.9 320 1334 C 13 H 6 A 1.300 122.800 20 25.3 15.4 1.617E-03 3322714749.79687 359.90 25.4 25.4 25.130 147.930 127.526 64.9 316.6 25.2 320 1334 C 13 H 6 A 1.325 122.825 20 27.7 16.7 1.630E-03 3322714754.73437 359.90 27.8 27.8 25.130 147.955 127.547 62.5 314.9 27.5 320 1334 C 13 H 6 A 1.350 122.850 20 29.7 17.3 1.582E-03 3322714759.65625 359.90 29.8 29.8 25.130 147.980 127.569 60.5 314.2 29.5 320 1334 C 13 H 6 A 1.375 122.875 20 31.4 18.2 1.439E-03 3322714764.59375 359.90 31.5 31.5 25.130 148.005 127.591 58.8 313.2 31.2 320 1334 C 13 H 6 A 1.400 122.900 20 30.5 18.9 1.314E-03 3322714769.53125 359.90 30.6 30.6 25.130 148.030 127.612 59.7 312.5 30.3 320 1334 C 13 H 6 A 1.425 122.925 20 31.0 19.6 1.151E-03 3322714774.45312 359.90 31.1 31.1 25.130 148.055 127.634 59.2 311.7 30.8 320 1334 C 13 H 7 A 0.075 123.075 20 39.0 25.4 1.503E-03 3322715502.93750 359.90 39.1 39.1 25.130 148.205 127.763 51.3 306.6 38.8 320 1334 C 13 H 7 A 0.100 123.100 20 34.1 27.6 1.494E-03 3322715507.87500 359.90 34.2 34.2 25.130 148.230 127.784 55.9 303.7 34.2 320 1334 C 13 H 7 A 0.125 123.125 20 26.4 29.1 1.411E-03 3322715512.81250 359.90 26.5 26.5 25.130 148.255 127.806 63.0 299.3 27.0 320 1334 C 13 H 7 A 0.150 123.150 20 24.4 30.3 1.256E-03 3322715517.73437 359.90 24.5 24.5 25.130 148.280 127.828 64.7 296.6 25.3 320 1334 C 13 H 7 A 0.175 123.175 20 29.7 31.5 1.124E-03 3322715522.67187 359.90 29.8 29.8 25.130 148.305 127.849 59.6 297.9 30.4 320 1334 C 13 H 7 A 0.200 123.200 20 34.8 32.3 1.032E-03 3322715527.60937 359.90 34.9 34.9 25.130 148.330 127.871 54.7 298.9 35.3 320 1334 C 13 H 7 A 0.225 123.225 20 38.9 33.7 9.912E-04 3322715532.53125 359.90 39.0 39.0 25.130 148.355 127.892 50.7 298.6 39.3 320 1334 C 13 H 7 A 0.250 123.250 20 40.5 35.3 1.014E-03 3322715537.46875 359.90 40.6 40.6 25.130 148.380 127.914 49.0 297.4 41.0 320 1334 C 13 H 7 A 0.275 123.275 20 37.2 36.7 1.115E-03 3322715542.40625 359.90 37.3 37.3 25.130 148.405 127.935 51.9 294.9 38.1 320 1334 C 13 H 7 A 0.300 123.300 20 29.6 34.0 1.325E-03 3322715547.32812 359.90 29.7 29.7 25.130 148.430 127.957 59.3 294.8 30.7 320 1334 C 13 H 7 A 0.325 123.325 20 26.2 32.4 1.459E-03 3322715552.26562 359.90 26.3 26.3 25.130 148.455 127.978 62.7 294.9 27.3 320 1334 C 13 H 7 A 0.350 123.350 20 23.8 29.9 1.519E-03 3322715557.18750 359.90 23.9 23.9 25.130 148.480 128.000 65.3 296.8 24.7 320 1334 C 13 H 7 A 0.375 123.375 20 23.9 28.5 1.470E-03 3322715562.12500 359.90 24.0 24.0 25.130 148.505 128.022 65.4 298.8 24.6 320 1334 C 13 H 7 A 0.400 123.400 20 25.2 28.2 1.425E-03 3322715567.04687 359.90 25.3 25.3 25.130 148.530 128.043 64.3 299.9 25.7 320 1334 C 13 H 7 A 0.425 123.425 20 26.8 29.4 1.402E-03 3322715571.98437 359.90 26.9 26.9 25.130 148.555 128.065 62.6 299.1 27.4 320 1334 C 13 H 7 A 0.450 123.450 20 26.8 29.6 1.451E-03 3322715576.90625 359.90 26.9 26.9 25.130 148.580 128.086 62.6 298.9 27.4 320 1334 C 13 H 7 A 0.475 123.475 20 28.7 29.4 1.449E-03 3322715581.84375 359.90 28.8 28.8 25.130 148.605 128.108 60.8 300.0 29.2 320 1334 C 13 H 7 A 0.500 123.500 20 35.4 29.0 1.408E-03 3322715586.78125 359.90 35.5 35.5 25.130 148.630 128.129 54.5 302.5 35.5 320 1334 C 13 H 7 A 0.525 123.525 20 51.6 21.9 1.815E-03 3322715591.71875 359.90 51.7 51.7 25.130 148.655 128.151 39.0 309.9 51.0 320 1334 C 13 H 7 A 0.550 123.550 20 41.8 25.2 1.704E-03 3322715596.64062 359.90 41.9 41.9 25.130 148.680 128.172 48.5 307.1 41.5 320 1334 C 14 H 1 A 0.275 123.775 20 220.3 4.5 1.939E-03 3322716397.53125 37.20 183.1 183.1 27.060 150.835 130.030 -79.3 211.1 169.3 320 1334 C 14 H 1 A 0.300 123.800 20 222.0 10.3 1.796E-03 3322716402.45312 37.20 184.8 184.8 27.060 150.860 130.052 -76.0 207.9 166.0 320 1334 C 14 H 1 A 0.325 123.825 20 223.4 18.4 1.449E-03 3322716407.39062 37.20 186.2 186.2 27.060 150.885 130.073 -71.5 208.4 161.5 320 1334 C 14 H 1 A 0.350 123.850 20 221.6 26.6 1.198E-03 3322716412.31250 37.20 184.4 184.4 27.060 150.910 130.095 -67.5 216.8 157.5 320 1334 C 14 H 1 A 0.375 123.875 20 220.7 30.5 1.110E-03 3322716417.25000 37.20 183.5 183.5 27.060 150.935 130.116 -65.3 220.0 155.3 320 1334 C 14 H 1 A 0.400 123.900 20 221.6 28.8 1.175E-03 3322716422.17187 37.20 184.4 184.4 27.060 150.960 130.138 -66.2 217.5 156.2 320 1334 C 14 H 1 A 0.425 123.925 20 224.7 25.2 1.302E-03 3322716427.10937 37.20 187.5 187.5 27.060 150.985 130.159 -67.5 208.6 157.5 320 1334 C 14 H 1 A 0.450 123.950 20 226.9 21.7 1.423E-03 3322716432.03125 37.20 189.7 189.7 27.060 151.010 130.181 -68.5 201.3 158.5 320 1334 C 14 H 1 A 0.475 123.975 20 227.7 18.5 1.508E-03 3322716436.96875 37.20 190.5 190.5 27.060 151.035 130.203 -69.6 197.0 159.6 320 1334 C 14 H 1 A 0.500 124.000 20 226.8 17.4 1.436E-03 3322716441.90625 37.20 189.6 189.6 27.060 151.060 130.224 -70.6 198.3 160.6 320 1334 C 14 H 1 A 0.525 124.025 20 225.2 17.6 1.246E-03 3322716446.82812 37.20 188.0 188.0 27.060 151.085 130.246 -71.2 202.8 161.2 320 1334 C 14 H 1 A 0.550 124.050 20 225.6 19.0 1.040E-03 3322716451.76562 37.20 188.4 188.4 27.060 151.110 130.267 -70.4 202.7 160.4 320 1334 C 14 H 1 A 0.575 124.075 20 225.1 19.9 8.906E-04 3322716456.68750 37.20 187.9 187.9 27.060 151.135 130.289 -70.1 204.6 160.1 320 1334 C 14 H 1 A 0.600 124.100 20 225.4 21.9 7.276E-04 3322716461.62500 37.20 188.2 188.2 27.060 151.160 130.310 -69.0 205.1 159.0 320 1334 C 14 H 1 A 0.625 124.125 20 221.0 25.4 5.793E-04 3322716466.54687 37.20 183.8 183.8 27.060 151.185 130.332 -68.3 218.0 158.3 320 1334 C 14 H 1 A 0.650 124.150 20 220.3 32.9 4.398E-04 3322716471.48437 37.20 183.1 183.1 27.060 151.210 130.353 -63.9 221.3 153.9 320 1334 C 14 H 1 A 0.675 124.175 20 212.5 39.2 3.675E-04 3322716476.42187 37.20 175.3 175.3 27.060 151.235 130.375 -59.5 236.6 149.5 320 1334 C 14 H 1 A 0.700 124.200 20 206.0 45.4 3.208E-04 3322716481.35937 37.20 168.8 168.8 27.060 151.260 130.397 -53.5 244.9 143.5 320 1334 C 14 H 1 A 0.725 124.225 20 213.4 48.7 2.945E-04 3322716486.28125 37.20 176.2 176.2 27.060 151.285 130.418 -52.2 233.4 142.2 320 1334 C 14 H 1 A 0.750 124.250 20 214.3 41.2 3.205E-04 3322716491.21875 37.20 177.1 177.1 27.060 151.310 130.440 -58.2 233.1 148.2 320 1334 C 14 H 1 A 0.775 124.275 20 218.3 35.0 3.466E-04 3322716496.15625 37.20 181.1 181.1 27.060 151.335 130.461 -62.7 225.8 152.7 320 1334 C 14 H 1 A 0.800 124.300 20 224.1 32.2 3.901E-04 3322716501.07812 37.20 186.9 186.9 27.060 151.360 130.483 -63.6 213.1 153.6 320 1334 C 14 H 1 A 0.825 124.325 20 226.1 31.8 4.758E-04 3322716506.01562 37.20 188.9 188.9 27.060 151.385 130.504 -63.3 208.8 153.3 320 1334 C 14 H 1 A 0.850 124.350 20 227.4 30.2 5.748E-04 3322716510.93750 37.20 190.2 190.2 27.060 151.410 130.526 -63.8 205.4 153.8 320 1334 C 14 H 1 A 0.875 124.375 20 224.4 26.0 6.833E-04 3322716515.87500 37.20 187.2 187.2 27.060 151.435 130.547 -67.2 209.8 157.2 320 1334 C 14 H 1 A 0.900 124.400 20 225.6 21.6 7.593E-04 3322716520.79687 37.20 188.4 188.4 27.060 151.460 130.569 -69.1 204.4 159.1 320 1334 C 14 H 1 A 0.925 124.425 20 222.4 18.1 8.842E-04 3322716525.73437 37.20 185.2 185.2 27.060 151.485 130.591 -72.0 211.2 162.0 320 1334 C 14 H 1 A 0.950 124.450 20 224.0 15.6 9.982E-04 3322716530.67187 37.20 186.8 186.8 27.060 151.510 130.612 -72.7 204.8 162.7 320 1334 C 14 H 1 A 0.975 124.475 20 221.6 12.7 1.143E-03 3322716535.60937 37.20 184.4 184.4 27.060 151.535 130.634 -74.9 211.0 164.9 320 1334 C 14 H 1 A 1.000 124.500 20 219.6 9.9 1.259E-03 3322716540.53125 37.20 182.4 182.4 27.060 151.560 130.655 -76.8 217.5 166.8 320 1334 C 14 H 1 A 1.025 124.525 20 220.7 8.7 1.319E-03 3322716545.46875 37.20 183.5 183.5 27.060 151.585 130.677 -77.1 212.2 167.1 320 1334 C 14 H 1 A 1.050 124.550 20 220.5 9.0 1.367E-03 3322716550.40625 37.20 183.3 183.3 27.060 151.610 130.698 -77.1 213.2 167.1 320 1334 C 14 H 1 A 1.075 124.575 20 219.7 10.4 1.310E-03 3322716555.32812 37.20 182.5 182.5 27.060 151.635 130.720 -76.5 217.3 166.5 320 1334 C 14 H 1 A 1.100 124.600 20 221.7 12.6 1.195E-03 3322716560.26562 37.20 184.5 184.5 27.060 151.660 130.741 -74.9 210.6 164.9 320 1334 C 14 H 1 A 1.125 124.625 20 222.6 15.4 1.055E-03 3322716565.18750 37.20 185.4 185.4 27.060 151.685 130.763 -73.3 209.1 163.3 320 1334 C 14 H 1 A 1.150 124.650 20 221.4 17.6 9.916E-04 3322716570.12500 37.20 184.2 184.2 27.060 151.710 130.784 -72.5 214.1 162.5 320 1334 C 14 H 1 A 1.175 124.675 20 224.2 18.0 1.011E-03 3322716575.04687 37.20 187.0 187.0 27.060 151.735 130.806 -71.4 205.9 161.4 320 1334 C 14 H 1 A 1.200 124.700 20 222.9 16.9 1.046E-03 3322716579.98437 37.20 185.7 185.7 27.060 151.760 130.828 -72.4 209.1 162.4 320 1334 C 14 H 1 A 1.225 124.725 20 219.8 15.4 1.082E-03 3322716584.90625 37.20 182.6 182.6 27.060 151.785 130.849 -74.0 218.7 164.0 320 1334 C 14 H 1 A 1.250 124.750 20 218.8 14.8 1.123E-03 3322716589.84375 37.20 181.6 181.6 27.060 151.810 130.871 -74.4 222.1 164.4 320 1334 C 14 H 1 A 1.275 124.775 20 221.0 16.6 1.133E-03 3322716594.78125 37.20 183.8 183.8 27.060 151.835 130.892 -73.1 215.0 163.1 320 1334 C 14 H 1 A 1.300 124.800 20 220.0 19.7 1.145E-03 3322716599.70312 37.20 182.8 182.8 27.060 151.860 130.914 -71.6 219.3 161.6 320 1334 C 14 H 1 A 1.325 124.825 20 221.5 22.4 1.062E-03 3322716604.64062 37.20 184.3 184.3 27.060 151.885 130.935 -69.9 215.7 159.9 320 1334 C 14 H 1 A 1.350 124.850 20 223.6 23.8 9.510E-04 3322716609.57812 37.20 186.4 186.4 27.060 151.910 130.957 -68.6 210.7 158.6 320 1334 C 14 H 1 A 1.375 124.875 20 221.4 23.3 8.877E-04 3322716614.50000 37.20 184.2 184.2 27.060 151.935 130.978 -69.4 216.3 159.4 320 1334 C 14 H 1 A 1.400 124.900 20 223.3 23.6 8.113E-04 3322716619.43750 37.20 186.1 186.1 27.060 151.960 131.000 -68.8 211.4 158.8 320 1334 C 14 H 1 A 1.425 124.925 20 222.8 22.2 7.972E-04 3322716624.37500 37.20 185.6 185.6 27.060 151.985 131.022 -69.7 212.0 159.7 320 1334 C 14 H 2 A 0.075 125.075 20 220.9 26.0 1.047E-03 3322717495.85937 37.20 183.7 183.7 27.060 152.135 131.151 -68.0 218.4 158.0 320 1334 C 14 H 2 A 0.100 125.100 20 224.0 19.8 8.286E-04 3322717500.79687 37.20 186.8 186.8 27.060 152.160 131.172 -70.6 207.5 160.6 320 1334 C 14 H 2 A 0.125 125.125 20 226.0 21.0 6.024E-04 3322717505.73437 37.20 188.8 188.8 27.060 152.185 131.194 -69.2 203.0 159.2 320 1334 C 14 H 2 A 0.150 125.150 20 218.2 21.3 4.341E-04 3322717510.65625 37.20 181.0 181.0 27.060 152.210 131.216 -70.9 225.0 160.9 320 1334 C 14 H 2 A 0.175 125.175 20 205.3 27.6 3.770E-04 3322717515.59375 37.20 168.1 168.1 27.060 152.235 131.237 -64.5 255.6 154.5 320 1334 C 14 H 2 A 0.200 125.200 20 211.4 34.5 4.346E-04 3322717520.53125 37.20 174.2 174.2 27.060 152.260 131.259 -62.4 240.0 152.4 320 1334 C 14 H 2 A 0.225 125.225 20 221.8 30.2 6.327E-04 3322717525.45312 37.20 184.6 184.6 27.060 152.285 131.280 -65.4 217.4 155.4 320 1334 C 14 H 2 A 0.250 125.250 20 223.4 27.6 8.607E-04 3322717530.39062 37.20 186.2 186.2 27.060 152.310 131.302 -66.5 212.8 156.5 320 1334 C 14 H 2 A 0.275 125.275 20 225.3 25.1 1.039E-03 3322717535.31250 37.20 188.1 188.1 27.060 152.335 131.323 -67.3 207.2 157.3 320 1334 C 14 H 2 A 0.300 125.300 20 225.7 21.9 1.163E-03 3322717540.25000 37.20 188.5 188.5 27.060 152.360 131.345 -68.9 204.3 158.9 320 1334 C 14 H 2 A 0.325 125.325 20 233.1 15.8 1.434E-03 3322717545.17187 37.20 195.9 195.9 27.060 152.385 131.366 -67.4 183.0 157.4 320 1334 C 14 H 2 A 0.350 125.350 20 222.1 13.4 1.504E-03 3322717550.10937 37.20 184.9 184.9 27.060 152.410 131.388 -74.4 209.6 164.4 320 1334 C 14 H 2 A 0.375 125.375 20 226.4 11.8 1.460E-03 3322717555.03125 37.20 189.2 189.2 27.060 152.435 131.409 -73.3 194.5 163.3 320 1334 C 14 H 2 A 0.400 125.400 20 223.2 10.6 1.503E-03 3322717559.96875 37.20 186.0 186.0 27.060 152.460 131.431 -75.4 203.7 165.4 320 1334 C 14 H 2 A 0.425 125.425 20 222.3 10.5 1.506E-03 3322717564.90625 37.20 185.1 185.1 27.060 152.485 131.453 -75.8 206.9 165.8 320 1334 C 14 H 2 A 0.450 125.450 20 224.4 11.0 1.501E-03 3322717569.82812 37.20 187.2 187.2 27.060 152.510 131.474 -74.7 199.9 164.7 320 1334 C 14 H 2 A 0.475 125.475 20 227.9 11.3 1.493E-03 3322717574.75000 37.20 190.7 190.7 27.060 152.535 131.496 -72.6 189.8 162.6 320 1334 C 14 H 2 A 0.500 125.500 20 227.3 12.0 1.424E-03 3322717579.68750 37.20 190.1 190.1 27.060 152.560 131.517 -72.7 192.1 162.7 320 1334 C 14 H 2 A 0.525 125.525 20 224.8 14.8 1.143E-03 3322717584.62500 37.20 187.6 187.6 27.060 152.585 131.539 -72.7 201.8 162.7 320 1334 C 14 H 2 A 0.550 125.550 20 219.1 18.1 8.739E-04 3322717589.56250 37.20 181.9 181.9 27.060 152.610 131.560 -72.6 221.7 162.6 320 1334 C 14 H 2 A 0.575 125.575 20 213.9 22.7 5.803E-04 3322717594.48437 37.20 176.7 176.7 27.060 152.635 131.582 -69.9 237.5 159.9 320 1334 C 14 H 2 A 0.600 125.600 20 215.3 24.2 4.258E-04 3322717599.42187 37.20 178.1 178.1 27.060 152.660 131.603 -69.3 233.3 159.3 320 1334 C 14 H 2 A 0.625 125.625 20 213.8 22.7 3.272E-04 3322717604.35937 37.20 176.6 176.6 27.060 152.685 131.625 -69.9 237.8 159.9 320 1334 C 14 H 2 A 0.650 125.650 20 224.1 19.9 3.188E-04 3322717609.28125 37.20 186.9 186.9 27.060 152.710 131.647 -70.5 207.3 160.5 320 1334 C 14 H 2 A 0.675 125.675 20 224.2 20.5 3.827E-04 3322717614.21875 37.20 187.0 187.0 27.060 152.735 131.668 -70.2 207.4 160.2 320 1334 C 14 H 2 A 0.700 125.700 20 227.0 20.9 5.047E-04 3322717619.15625 37.20 189.8 189.8 27.060 152.760 131.690 -68.8 200.5 158.8 320 1334 C 14 H 2 A 0.725 125.725 20 224.3 21.6 6.060E-04 3322717624.07812 37.20 187.1 187.1 27.060 152.785 131.711 -69.5 207.7 159.5 320 1334 C 14 H 2 A 0.750 125.750 20 223.7 22.4 6.785E-04 3322717629.01562 37.20 186.5 186.5 27.060 152.810 131.733 -69.3 209.7 159.3 320 1334 C 14 H 2 A 0.775 125.775 20 217.7 20.7 7.647E-04 3322717633.93750 37.20 180.5 180.5 27.060 152.835 131.754 -71.3 226.5 161.3 320 1334 C 14 H 2 A 0.800 125.800 20 216.5 19.4 8.283E-04 3322717638.87500 37.20 179.3 179.3 27.060 152.860 131.776 -72.0 230.3 162.0 320 1334 C 14 H 2 A 0.825 125.825 20 216.7 18.0 9.188E-04 3322717643.81250 37.20 179.5 179.5 27.060 152.885 131.797 -72.8 229.7 162.8 320 1334 C 14 H 2 A 0.850 125.850 20 217.3 16.9 1.025E-03 3322717648.73437 37.20 180.1 180.1 27.060 152.910 131.819 -73.4 227.7 163.4 320 1334 C 14 H 2 A 0.875 125.875 20 221.8 15.8 1.122E-03 3322717653.67187 37.20 184.6 184.6 27.060 152.935 131.841 -73.3 212.0 163.3 320 1334 C 14 H 2 A 0.900 125.900 20 226.3 13.8 1.349E-03 3322717658.60937 37.20 189.1 189.1 27.060 152.960 131.862 -72.5 196.6 162.5 320 1334 C 14 H 2 A 0.925 125.925 20 228.3 12.3 1.595E-03 3322717663.53125 37.20 191.1 191.1 27.060 152.985 131.884 -72.0 189.8 162.0 320 1334 C 14 H 2 A 0.950 125.950 20 230.0 11.8 1.805E-03 3322717668.46875 37.20 192.8 192.8 27.060 153.010 131.905 -71.1 185.2 161.1 320 1334 C 14 H 2 A 0.975 125.975 20 229.1 12.6 1.799E-03 3322717673.40625 37.20 191.9 191.9 27.060 153.035 131.927 -71.4 188.2 161.4 320 1334 C 14 H 2 A 1.000 126.000 20 227.9 14.3 1.606E-03 3322717678.32812 37.20 190.7 190.7 27.060 153.060 131.948 -71.4 192.8 161.4 320 1334 C 14 H 2 A 1.025 126.025 20 226.2 15.5 1.437E-03 3322717683.25000 37.20 189.0 189.0 27.060 153.085 131.970 -71.8 198.4 161.8 320 1334 C 14 H 2 A 1.050 126.050 20 224.9 16.4 1.222E-03 3322717688.18750 37.20 187.7 187.7 27.060 153.110 131.991 -71.9 202.7 161.9 320 1334 C 14 H 2 A 1.075 126.075 20 223.4 17.1 1.022E-03 3322717693.12500 37.20 186.2 186.2 27.060 153.135 132.013 -72.2 207.6 162.2 320 1334 C 14 H 2 A 1.100 126.100 20 220.9 18.3 7.973E-04 3322717698.04687 37.20 183.7 183.7 27.060 153.160 132.034 -72.2 216.0 162.2 320 1334 C 14 H 2 A 1.125 126.125 20 218.5 18.4 6.747E-04 3322717702.98437 37.20 181.3 181.3 27.060 153.185 132.056 -72.5 223.8 162.5 320 1334 C 14 H 2 A 1.150 126.150 20 214.7 16.5 6.859E-04 3322717707.90625 37.20 177.5 177.5 27.060 153.210 132.078 -73.4 236.7 163.4 320 1334 C 14 H 2 A 1.175 126.175 20 218.2 12.6 8.285E-04 3322717712.84375 37.20 181.0 181.0 27.060 153.235 132.099 -75.6 224.0 165.6 320 1334 C 14 H 2 A 1.200 126.200 20 222.8 10.3 1.036E-03 3322717717.78125 37.20 185.6 185.6 27.060 153.260 132.121 -75.7 204.9 165.7 320 1334 C 14 H 2 A 1.225 126.225 20 225.6 11.5 1.174E-03 3322717722.70312 37.20 188.4 188.4 27.060 153.285 132.142 -73.9 196.5 163.9 320 1334 C 14 H 2 A 1.250 126.250 20 224.2 12.7 1.211E-03 3322717727.64062 37.20 187.0 187.0 27.060 153.310 132.164 -74.0 202.0 164.0 320 1334 C 14 H 2 A 1.275 126.275 20 221.9 12.5 1.238E-03 3322717732.57812 37.20 184.7 184.7 27.060 153.335 132.185 -74.9 209.8 164.9 320 1334 C 14 H 2 A 1.300 126.300 20 220.4 12.1 1.249E-03 3322717737.50000 37.20 183.2 183.2 27.060 153.360 132.207 -75.5 215.2 165.5 320 1334 C 14 H 2 A 1.325 126.325 20 220.7 12.3 1.220E-03 3322717742.43750 37.20 183.5 183.5 27.060 153.385 132.228 -75.4 214.1 165.4 320 1334 C 14 H 2 A 1.350 126.350 20 222.1 13.2 1.145E-03 3322717747.37500 37.20 184.9 184.9 27.060 153.410 132.250 -74.5 209.5 164.5 320 1334 C 14 H 2 A 1.375 126.375 20 220.8 13.8 1.032E-03 3322717752.29687 37.20 183.6 183.6 27.060 153.435 132.272 -74.6 214.5 164.6 320 1334 C 14 H 2 A 1.400 126.400 20 221.2 13.8 9.260E-04 3322717757.23437 37.20 184.0 184.0 27.060 153.460 132.293 -74.5 213.0 164.5 320 1334 C 14 H 2 A 1.425 126.425 20 221.3 13.2 8.016E-04 3322717762.15625 37.20 184.1 184.1 27.060 153.485 132.315 -74.8 212.4 164.8 320 1334 C 14 H 3 A 0.075 126.575 20 219.1 10.1 6.742E-04 3322718725.87500 37.20 181.9 181.9 27.060 153.635 132.444 -76.8 219.7 166.8 320 1334 C 14 H 3 A 0.100 126.600 20 214.8 13.1 8.346E-04 3322718730.79687 37.20 177.6 177.6 27.060 153.660 132.466 -75.2 237.4 165.2 320 1334 C 14 H 3 A 0.125 126.625 20 201.8 18.5 1.621E-03 3322718735.73437 37.20 164.6 164.6 27.060 153.685 132.487 -66.7 269.6 156.7 320 1334 C 14 H 3 A 0.150 126.650 20 216.5 15.2 1.219E-03 3322718740.65625 37.20 179.3 179.3 27.060 153.710 132.509 -74.3 230.6 164.3 320 1334 C 14 H 3 A 0.175 126.675 20 232.5 12.2 1.674E-03 3322718745.59375 37.20 195.3 195.3 27.060 153.735 132.530 -69.2 180.5 159.2 320 1334 C 14 H 3 A 0.200 126.700 20 223.3 14.7 1.425E-03 3322718750.53125 37.20 186.1 186.1 27.060 153.760 132.552 -73.4 206.4 163.4 320 1334 C 14 H 3 A 0.225 126.725 20 223.6 13.5 1.471E-03 3322718755.46875 37.20 186.4 186.4 27.060 153.785 132.573 -73.8 204.6 163.8 320 1334 C 14 H 3 A 0.250 126.750 20 225.8 12.1 1.469E-03 3322718760.39062 37.20 188.6 188.6 27.060 153.810 132.595 -73.5 196.5 163.5 320 1334 C 14 H 3 A 0.275 126.775 20 224.2 11.1 1.456E-03 3322718765.32812 37.20 187.0 187.0 27.060 153.835 132.616 -74.7 200.6 164.7 320 1334 C 14 H 3 A 0.300 126.800 20 222.6 11.2 1.381E-03 3322718770.26562 37.20 185.4 185.4 27.060 153.860 132.638 -75.3 206.3 165.3 320 1334 C 14 H 3 A 0.325 126.825 20 221.1 11.5 1.374E-03 3322718775.18750 37.20 183.9 183.9 27.060 153.885 132.659 -75.7 212.2 165.7 320 1334 C 14 H 3 A 0.350 126.850 20 221.2 9.5 1.437E-03 3322718780.12500 37.20 184.0 184.0 27.060 153.910 132.681 -76.6 210.6 166.6 320 1334 C 14 H 3 A 0.375 126.875 20 219.0 6.4 1.581E-03 3322718785.04687 37.20 181.8 181.8 27.060 153.935 132.703 -78.7 218.9 168.7 320 1334 C 14 H 3 A 0.400 126.900 20 219.9 3.8 1.729E-03 3322718789.98437 37.20 182.7 182.7 27.060 153.960 132.724 -79.7 212.7 169.7 320 1334 C 14 H 3 A 0.425 126.925 20 220.8 2.7 1.888E-03 3322718794.90625 37.20 183.6 183.6 27.060 153.985 132.746 -80.0 206.9 170.0 320 1334 C 14 H 3 A 0.450 126.950 20 224.4 2.9 1.960E-03 3322718799.84375 37.20 187.2 187.2 27.060 154.010 132.767 -78.1 190.5 168.1 320 1334 C 14 H 3 A 0.475 126.975 20 226.8 3.8 1.981E-03 3322718804.78125 37.20 189.6 189.6 27.060 154.035 132.789 -76.2 183.6 166.2 320 1334 C 14 H 3 A 0.500 127.000 20 225.6 5.0 2.004E-03 3322718809.70312 37.20 188.4 188.4 27.060 154.060 132.810 -76.6 189.1 166.6 320 1334 C 14 H 3 A 0.525 127.025 20 224.7 5.8 1.945E-03 3322718814.64062 37.20 187.5 187.5 27.060 154.085 132.832 -76.8 193.3 166.8 320 1334 C 14 H 3 A 0.550 127.050 20 223.3 6.4 1.864E-03 3322718819.57812 37.20 186.1 186.1 27.060 154.110 132.853 -77.2 199.3 167.2 320 1334 C 14 H 3 A 0.575 127.075 20 222.6 7.8 1.705E-03 3322718824.50000 37.20 185.4 185.4 27.060 154.135 132.875 -76.9 203.5 166.9 320 1334 C 14 H 3 A 0.600 127.100 20 221.8 9.3 1.603E-03 3322718829.43750 37.20 184.6 184.6 27.060 154.160 132.897 -76.5 208.0 166.5 320 1334 C 14 H 3 A 0.625 127.125 20 219.0 10.4 1.490E-03 3322718834.37500 37.20 181.8 181.8 27.060 154.185 132.918 -76.6 220.3 166.6 320 1334 C 14 H 3 A 0.650 127.150 20 216.0 10.0 1.466E-03 3322718839.29687 37.20 178.8 178.8 27.060 154.210 132.940 -76.9 233.3 166.9 320 1334 C 14 H 3 A 0.675 127.175 20 215.5 9.4 1.432E-03 3322718844.23437 37.20 178.3 178.3 27.060 154.235 132.961 -77.2 235.7 167.2 320 1334 C 14 H 3 A 0.700 127.200 20 216.3 9.5 1.403E-03 3322718849.15625 37.20 179.1 179.1 27.060 154.260 132.983 -77.2 232.1 167.2 320 1334 C 14 H 3 A 0.725 127.225 20 217.6 10.7 1.338E-03 3322718854.09375 37.20 180.4 180.4 27.060 154.285 133.004 -76.6 226.3 166.6 320 1334 C 14 H 3 A 0.750 127.250 20 220.1 11.9 1.248E-03 3322718859.03125 37.20 182.9 182.9 27.060 154.310 133.026 -75.7 216.3 165.7 320 1334 C 14 H 3 A 0.775 127.275 20 218.7 12.5 1.143E-03 3322718863.96875 37.20 181.5 181.5 27.060 154.335 133.047 -75.6 222.0 165.6 320 1334 C 14 H 3 A 0.800 127.300 20 217.8 13.4 9.759E-04 3322718868.89062 37.20 180.6 180.6 27.060 154.360 133.069 -75.2 225.7 165.2 320 1334 C 14 H 3 A 0.825 127.325 20 216.5 12.6 8.723E-04 3322718873.82812 37.20 179.3 179.3 27.060 154.385 133.091 -75.6 230.8 165.6 320 1334 C 14 H 3 A 0.850 127.350 20 218.6 10.4 8.531E-04 3322718878.76562 37.20 181.4 181.4 27.060 154.410 133.112 -76.7 222.0 166.7 320 1334 C 14 H 3 A 0.875 127.375 20 221.5 7.3 8.796E-04 3322718883.68750 37.20 184.3 184.3 27.060 154.435 133.134 -77.6 207.7 167.6 320 1334 C 14 H 3 A 0.900 127.400 20 223.9 5.6 8.801E-04 3322718888.62500 37.20 186.7 186.7 27.060 154.460 133.155 -77.3 196.0 167.3 320 1334 C 14 H 3 A 0.925 127.425 20 227.9 5.3 7.828E-04 3322718893.54687 37.20 190.7 190.7 27.060 154.485 133.177 -74.9 182.6 164.9 320 1334 C 14 H 3 A 0.950 127.450 20 224.8 6.8 6.663E-04 3322718898.48437 37.20 187.6 187.6 27.060 154.510 133.198 -76.3 194.2 166.3 320 1334 C 14 H 3 A 0.975 127.475 20 215.5 11.0 4.786E-04 3322718903.40625 37.20 178.3 178.3 27.060 154.535 133.220 -76.3 235.2 166.3 320 1334 C 14 H 3 A 1.000 127.500 20 198.9 17.3 3.462E-04 3322718908.34375 37.20 161.7 161.7 27.060 154.560 133.241 -65.2 275.7 155.2 320 1334 C 14 H 3 A 1.025 127.525 20 181.8 20.7 3.012E-04 3322718913.28125 37.20 144.6 144.6 27.060 154.585 133.263 -50.1 290.6 140.1 320 1334 C 14 H 3 A 1.050 127.550 20 186.5 21.3 3.075E-04 3322718918.20312 37.20 149.3 149.3 27.060 154.610 133.284 -54.0 286.5 144.0 320 1334 C 14 H 3 A 1.075 127.575 20 209.4 19.1 3.651E-04 3322718923.14062 37.20 172.2 172.2 27.060 154.635 133.306 -70.6 251.7 160.6 320 1334 C 14 H 3 A 1.100 127.600 20 217.9 15.5 4.944E-04 3322718928.06250 37.20 180.7 180.7 27.060 154.660 133.328 -74.1 225.5 164.1 320 1334 C 14 H 3 A 1.125 127.625 20 219.0 13.2 5.853E-04 3322718933.00000 37.20 181.8 181.8 27.060 154.685 133.349 -75.2 221.0 165.2 320 1334 C 14 H 3 A 1.150 127.650 20 221.4 12.6 6.081E-04 3322718937.93750 37.20 184.2 184.2 27.060 154.710 133.371 -75.0 211.7 165.0 320 1334 C 14 H 3 A 1.175 127.675 20 222.2 12.1 6.429E-04 3322718942.85937 37.20 185.0 185.0 27.060 154.735 133.392 -75.0 208.4 165.0 320 1334 C 14 H 3 A 1.200 127.700 20 221.1 10.0 7.578E-04 3322718947.79687 37.20 183.9 183.9 27.060 154.760 133.414 -76.4 211.3 166.4 320 1334 C 14 H 3 A 1.225 127.725 20 218.8 7.5 8.824E-04 3322718952.73437 37.20 181.6 181.6 27.060 154.785 133.435 -78.1 220.2 168.1 320 1334 C 14 H 3 A 1.250 127.750 20 217.7 5.4 1.011E-03 3322718957.67187 37.20 180.5 180.5 27.060 154.810 133.457 -79.3 225.3 169.3 320 1334 C 14 H 3 A 1.275 127.775 20 216.7 4.2 1.146E-03 3322718962.59375 37.20 179.5 179.5 27.060 154.835 133.478 -79.9 230.9 169.9 320 1334 C 14 H 3 A 1.300 127.800 20 239.8 2.3 1.800E-03 3322718967.53125 37.20 202.6 202.6 27.060 154.860 133.500 -65.7 159.1 155.7 320 1334 C 14 H 3 A 1.325 127.825 20 222.9 3.8 1.329E-03 3322718972.46875 37.20 185.7 185.7 27.060 154.885 133.522 -78.6 197.9 168.6 320 1334 C 14 H 3 A 1.350 127.850 20 224.0 4.6 1.453E-03 3322718977.39062 37.20 186.8 186.8 27.060 154.910 133.543 -77.7 194.4 167.7 320 1334 C 14 H 3 A 1.375 127.875 20 226.8 4.6 1.441E-03 3322718982.32812 37.20 189.6 189.6 27.060 154.935 133.565 -75.9 184.7 165.9 320 1334 C 14 H 3 A 1.400 127.900 20 224.5 4.8 1.246E-03 3322718987.26562 37.20 187.3 187.3 27.060 154.960 133.586 -77.3 192.8 167.3 320 1334 C 14 H 3 A 1.425 127.925 20 223.8 6.7 7.912E-04 3322718992.18750 37.20 186.6 186.6 27.060 154.985 133.608 -76.9 197.7 166.9 320 1334 C 14 H 4 A 0.100 128.100 20 126.6 34.8 3.334E-05 3322720332.26562 37.20 89.4 89.4 27.060 155.160 133.759 3.2 299.1 86.8 320 1334 C 14 H 4 A 0.150 128.150 20 141.5 25.8 2.944E-05 3322720337.59375 37.20 104.3 104.3 27.060 155.210 133.802 -11.8 302.3 101.8 320 1334 C 14 H 4 A 0.200 128.200 20 189.8 12.6 3.483E-05 3322720342.90625 37.20 152.6 152.6 27.060 155.260 133.845 -59.1 291.1 149.1 320 1334 C 14 H 4 A 0.250 128.250 20 190.5 30.3 3.489E-05 3322720348.23437 37.20 153.3 153.3 27.060 155.310 133.888 -54.1 275.4 144.1 320 1334 C 14 H 4 A 0.300 128.300 20 193.6 25.4 3.482E-05 3322720353.56250 37.20 156.4 156.4 27.060 155.360 133.931 -58.3 275.9 148.3 320 1334 C 14 H 4 A 0.350 128.350 20 211.6 11.4 4.244E-05 3322720358.89062 37.20 174.4 174.4 27.060 155.410 133.974 -75.2 250.3 165.2 320 1334 C 14 H 4 A 0.400 128.400 20 152.0 12.7 2.241E-05 3322720364.21875 37.20 114.8 114.8 27.060 155.460 134.017 -23.4 307.4 113.4 320 1334 C 14 H 4 A 0.450 128.450 20 153.9 18.8 3.006E-05 3322720369.53125 37.20 116.7 116.7 27.060 155.510 134.060 -24.5 303.5 114.5 320 1334 C 14 H 4 A 0.500 128.500 20 173.0 24.3 4.273E-05 3322720374.85937 37.20 135.8 135.8 27.060 155.560 134.103 -41.4 293.2 131.4 320 1334 C 14 H 4 A 0.550 128.550 20 184.6 18.1 8.248E-05 3322720380.18750 37.20 147.4 147.4 27.060 155.610 134.147 -53.2 290.6 143.2 320 1334 C 14 H 4 A 0.600 128.600 20 191.3 20.5 6.206E-05 3322720385.51562 37.20 154.1 154.1 27.060 155.660 134.190 -58.2 282.6 148.2 320 1334 C 14 H 4 A 0.650 128.650 20 195.0 21.8 5.600E-05 3322720390.84375 37.20 157.8 157.8 27.060 155.710 134.233 -60.7 277.2 150.7 320 1334 C 14 H 4 A 0.700 128.700 20 165.0 27.1 4.317E-05 3322720396.17187 37.20 127.8 127.8 27.060 155.760 134.276 -33.6 294.8 123.6 320 1334 C 14 H 4 A 0.750 128.750 20 136.4 32.0 3.776E-05 3322720401.50000 37.20 99.2 99.2 27.060 155.810 134.319 -6.3 299.5 96.3 320 1334 C 14 H 4 A 0.800 128.800 20 139.9 55.7 2.327E-05 3322720406.82812 37.20 102.7 102.7 27.060 155.860 134.362 -5.4 280.2 95.4 320 1334 C 14 H 4 A 0.850 128.850 20 181.2 16.8 6.594E-05 3322720412.14062 37.20 144.0 144.0 27.060 155.910 134.405 -50.5 294.0 140.5 320 1334 C 14 H 4 A 0.900 128.900 20 172.4 19.7 5.195E-05 3322720417.46875 37.20 135.2 135.2 27.060 155.960 134.448 -41.9 296.6 131.9 320 1334 C 14 H 4 A 0.950 128.950 20 157.7 41.5 2.446E-05 3322720422.78125 37.20 120.5 120.5 27.060 156.010 134.491 -23.8 287.5 113.8 320 1334 C 14 H 4 A 1.000 129.000 20 171.9 18.0 6.110E-05 3322720428.10937 37.20 134.7 134.7 27.060 156.060 134.534 -41.7 298.0 131.7 320 1334 C 14 H 4 A 1.050 129.050 20 168.9 20.2 4.966E-05 3322720433.43750 37.20 131.7 131.7 27.060 156.110 134.578 -38.5 297.8 128.5 320 1334 C 14 H 4 A 1.100 129.100 20 182.1 18.0 5.369E-05 3322720438.76562 37.20 144.9 144.9 27.060 156.160 134.621 -51.0 292.5 141.0 320 1334 C 14 H 4 A 1.150 129.150 20 167.5 50.3 1.627E-05 3322720444.09375 37.20 130.3 130.3 27.060 156.210 134.664 -28.5 276.0 118.5 320 1334 C 14 H 4 A 1.200 129.200 20 220.4 21.2 3.284E-05 3322720449.42187 37.20 183.2 183.2 27.060 156.260 134.707 -70.8 218.5 160.8 320 1334 C 14 H 4 A 1.250 129.250 20 186.7 15.2 3.976E-05 3322720454.75000 37.20 149.5 149.5 27.060 156.310 134.750 -55.8 291.4 145.8 320 1334 C 14 H 4 A 1.300 129.300 20 187.1 11.6 5.033E-05 3322720460.06250 37.20 149.9 149.9 27.060 156.360 134.793 -56.9 294.2 146.9 320 1334 C 14 H 4 A 1.350 129.350 20 185.7 8.9 5.419E-05 3322720465.39062 37.20 148.5 148.5 27.060 156.410 134.836 -56.2 297.5 146.2 320 1334 C 14 H 4 A 1.400 129.400 20 192.3 11.1 7.545E-05 3322720470.71875 37.20 155.1 155.1 27.060 156.460 134.879 -61.7 290.1 151.7 320 1334 C 14 H 5 A 0.100 129.600 20 222.2 24.2 4.435E-05 3322721482.06250 37.20 185.0 185.0 27.060 156.660 135.052 -68.8 214.5 158.8 320 1334 C 14 H 5 A 0.150 129.650 20 235.9 44.4 3.523E-05 3322721487.39062 37.20 198.7 198.7 27.060 156.710 135.095 -51.4 200.6 141.4 320 1334 C 14 H 5 A 0.200 129.700 20 196.9 48.0 3.493E-05 3322721492.71875 37.20 159.7 159.7 27.060 156.760 135.138 -48.1 255.0 138.1 320 1334 C 14 H 5 A 0.250 129.750 20 193.3 57.6 2.237E-05 3322721498.03125 37.20 156.1 156.1 27.060 156.810 135.181 -38.7 252.1 128.7 320 1334 C 14 H 5 A 0.300 129.800 20 244.7 37.5 2.528E-05 3322721503.35937 37.20 207.5 207.5 27.060 156.860 135.224 -50.4 185.5 140.4 320 1334 C 14 H 5 A 0.350 129.850 20 210.8 26.5 2.783E-05 3322721508.68750 37.20 173.6 173.6 27.060 156.910 135.267 -67.1 244.2 157.1 320 1334 C 14 H 5 A 0.400 129.900 20 215.4 40.8 2.237E-05 3322721514.01562 37.20 178.2 178.2 27.060 156.960 135.310 -58.6 231.2 148.6 320 1334 C 14 H 5 A 0.450 129.950 20 194.2 52.5 2.606E-05 3322721519.34375 37.20 157.0 157.0 27.060 157.010 135.353 -43.5 254.8 133.5 320 1334 C 14 H 5 A 0.500 130.000 20 180.7 56.4 2.538E-05 3322721524.65625 37.20 143.5 143.5 27.060 157.060 135.397 -33.5 262.8 123.5 320 1334 C 14 H 5 A 0.550 130.050 20 194.2 19.3 1.748E-05 3322721529.98437 37.20 157.0 157.0 27.060 157.110 135.440 -60.9 280.4 150.9 320 1334 C 14 H 5 A 0.600 130.100 20 206.1 1.0 2.814E-05 3322721535.31250 37.20 168.9 168.9 27.060 157.160 135.483 -76.1 281.0 166.1 320 1334 C 14 H 5 A 0.650 130.150 20 207.0 12.8 4.067E-05 3322721540.64062 37.20 169.8 169.8 27.060 157.210 135.526 -72.3 263.4 162.3 320 1334 C 14 H 5 A 0.700 130.200 20 189.7 37.1 1.859E-05 3322721545.96875 37.20 152.5 152.5 27.060 157.260 135.569 -50.6 270.9 140.6 320 1334 C 14 H 5 A 0.750 130.250 20 185.5 67.1 3.023E-05 3322721551.29687 37.20 148.3 148.3 27.060 157.310 135.612 -25.9 250.2 115.9 320 1334 C 14 H 5 A 0.800 130.300 20 251.2 51.5 2.746E-05 3322721556.60937 37.20 214.0 214.0 27.060 157.360 135.655 -38.4 190.9 128.4 320 1334 C 14 H 5 A 0.850 130.350 20 247.3 51.1 2.368E-05 3322721561.93750 37.20 210.1 210.1 27.060 157.410 135.698 -40.9 193.7 130.9 320 1334 C 14 H 5 A 0.900 130.400 20 213.3 17.9 3.163E-05 3322721567.26562 37.20 176.1 176.1 27.060 157.460 135.741 -72.4 240.9 162.4 320 1334 C 14 H 5 A 0.950 130.450 20 216.0 10.0 3.540E-05 3322721572.57812 37.20 178.8 178.8 27.060 157.510 135.784 -76.9 233.3 166.9 320 1334 C 14 H 5 A 1.000 130.500 20 217.6 22.2 1.683E-05 3322721577.90625 37.20 180.4 180.4 27.060 157.560 135.828 -70.5 226.9 160.5 320 1334 C 14 H 5 A 1.050 130.550 20 180.6 5.2 4.024E-05 3322721583.23437 37.20 143.4 143.4 27.060 157.610 135.871 -52.0 303.3 142.0 320 1334 C 14 H 5 A 1.100 130.600 20 184.1 15.4 3.563E-05 3322721588.56250 37.20 146.9 146.9 27.060 157.660 135.914 -53.4 293.2 143.4 320 1334 C 14 H 5 A 1.150 130.650 20 230.3 21.1 2.485E-05 3322721593.89062 37.20 193.1 193.1 27.060 157.710 135.957 -67.0 193.3 157.0 320 1334 C 14 H 5 A 1.200 130.700 20 201.9 21.3 3.477E-05 3322721599.21875 37.20 164.7 164.7 27.060 157.760 136.000 -65.6 266.9 155.6 320 1334 C 14 H 5 A 1.250 130.750 20 198.8 37.0 3.086E-05 3322721604.53125 37.20 161.6 161.6 27.060 157.810 136.043 -56.1 260.0 146.1 320 1334 C 14 H 5 A 1.300 130.800 20 216.3 56.7 2.075E-05 3322721609.85937 37.20 179.1 179.1 27.060 157.860 136.086 -44.7 229.0 134.7 320 1334 C 14 H 5 A 1.350 130.850 20 183.1 34.6 3.309E-05 3322721615.18750 37.20 145.9 145.9 27.060 157.910 136.129 -46.9 278.9 136.9 320 1334 C 14 H 5 A 1.400 130.900 20 252.4 50.1 1.972E-05 3322721620.51562 37.20 215.2 215.2 27.060 157.960 136.172 -38.5 188.8 128.5 320 1334 C 14 H 6 A 0.100 131.100 20 281.8 10.0 2.384E-05 3322722233.65625 37.20 244.6 244.6 27.060 158.160 136.345 -24.3 147.3 114.3 320 1334 C 14 H 6 A 0.150 131.150 20 194.6 19.5 1.858E-05 3322722238.98437 37.20 157.4 157.4 27.060 158.210 136.388 -61.2 279.7 151.2 320 1334 C 14 H 6 A 0.200 131.200 20 170.7 49.0 1.395E-05 3322722244.31250 37.20 133.5 133.5 27.060 158.260 136.431 -31.4 275.5 121.4 320 1334 C 14 H 6 A 0.250 131.250 20 322.1 28.5 1.698E-05 3322722249.62500 37.20 284.9 -75.1 27.060 158.310 136.474 16.4 151.6 73.6 320 1334 C 14 H 6 A 0.300 131.300 20 177.8 24.6 3.184E-05 3322722254.95312 37.20 140.6 140.6 27.060 158.360 136.517 -45.6 290.3 135.6 320 1334 C 14 H 6 A 0.350 131.350 20 205.2 24.9 1.833E-05 3322722260.28125 37.20 168.0 168.0 27.060 158.410 136.560 -65.8 257.6 155.8 320 1334 C 14 H 6 A 0.400 131.400 20 303.3 14.4 1.403E-05 3322722265.60937 37.20 266.1 266.1 27.060 158.460 136.603 -2.8 145.8 92.8 320 1334 C 14 H 6 A 0.450 131.450 20 183.0 16.2 3.246E-05 3322722270.93750 37.20 145.8 145.8 27.060 158.510 136.647 -52.2 293.3 142.2 320 1334 C 14 H 6 A 0.500 131.500 20 217.7 22.8 3.892E-05 3322722276.25000 37.20 180.5 180.5 27.060 158.560 136.690 -70.1 226.6 160.1 320 1334 C 14 H 6 A 0.550 131.550 20 229.0 27.3 3.415E-05 3322722281.57812 37.20 191.8 191.8 27.060 158.610 136.733 -64.7 200.5 154.7 320 1334 C 14 H 6 A 0.600 131.600 20 198.5 6.9 3.018E-05 3322722286.90625 37.20 161.3 161.3 27.060 158.660 136.776 -68.1 287.1 158.1 320 1334 C 14 H 6 A 0.650 131.650 20 233.0 -2.9 1.984E-05 3322722292.23437 37.20 195.8 195.8 27.060 158.710 136.819 -73.0 159.8 163.0 320 1334 C 14 H 6 A 0.700 131.700 20 16.1 14.7 1.219E-05 3322722297.54687 37.20 338.9 -21.1 27.060 158.760 136.862 69.1 138.0 20.9 320 1334 C 14 H 6 A 0.750 131.750 20 217.4 37.4 3.255E-05 3322722302.87500 37.20 180.2 180.2 27.060 158.810 136.905 -61.1 227.6 151.1 320 1334 C 14 H 6 A 0.800 131.800 20 259.2 64.4 2.299E-05 3322722308.20312 37.20 222.0 222.0 27.060 158.860 136.948 -24.1 197.6 114.1 320 1334 C 14 H 6 A 0.850 131.850 20 119.4 50.0 1.013E-05 3322722313.53125 37.20 82.2 82.2 27.060 158.910 136.991 10.8 288.1 79.2 320 1334 C 14 H 6 A 0.900 131.900 20 98.9 24.6 1.761E-05 3322722318.85937 37.20 61.7 61.7 27.060 158.960 137.034 29.3 307.7 60.8 320 1334 C 14 H 7 A 0.100 132.100 20 275.9 -18.6 3.509E-04 3322723743.98437 37.20 238.7 238.7 27.060 159.160 137.207 -32.0 131.7 122.0 320 1334 C 14 H 7 A 0.150 132.150 20 3.4 -16.6 4.994E-05 3322723749.31250 37.20 326.2 -33.8 27.060 159.210 137.250 52.5 112.7 37.5 320 1334 C 14 H 7 A 0.200 132.200 20 54.4 3.7 8.038E-05 3322723754.64062 37.20 17.2 17.2 27.060 159.260 137.293 71.8 336.9 18.2 320 1334 C 14 H 7 A 0.250 132.250 20 45.1 12.7 6.018E-05 3322723759.96875 37.20 7.9 7.9 27.060 159.310 137.336 82.0 328.9 8.0 320 1334 C 14 H 7 A 0.300 132.300 20 64.1 21.2 4.072E-05 3322723765.29687 37.20 26.9 26.9 27.060 159.360 137.379 63.3 309.5 26.7 320 1334 C 14 H 7 A 0.350 132.350 20 49.6 -2.4 6.509E-05 3322723770.60937 37.20 12.4 12.4 27.060 159.410 137.422 74.6 354.1 15.4 320 1334 C 14 H 7 A 0.400 132.400 20 64.8 -3.4 8.343E-05 3322723775.93750 37.20 27.6 27.6 27.060 159.460 137.466 60.8 336.3 29.2 320 1334 C 14 H 7 A 0.450 132.450 20 59.3 -3.4 5.609E-05 3322723781.26562 37.20 22.1 22.1 27.060 159.510 137.509 65.9 340.9 24.1 320 1334 C 14 H 7 A 0.500 132.500 20 44.5 -7.6 4.646E-05 3322723786.59375 37.20 7.3 7.3 27.060 159.560 137.552 76.1 16.1 13.9 320 1334 C 14 H 7 A 0.550 132.550 20 50.1 -7.6 3.861E-05 3322723791.90625 37.20 12.9 12.9 27.060 159.610 137.595 72.5 0.1 17.5 320 1334 C 14 H 7 A 0.600 132.600 20 51.8 -3.2 5.337E-05 3322723797.23437 37.20 14.6 14.6 27.060 159.660 137.638 72.6 350.8 17.4 320 1334 C 14 H 7 A 0.650 132.650 20 8.8 -4.5 3.297E-05 3322723802.56250 37.20 331.6 -28.4 27.060 159.710 137.681 59.9 119.3 30.1 320 1334 C 14 H 7 A 0.700 132.700 20 99.0 56.7 1.366E-05 3322723807.89062 37.20 61.8 61.8 27.060 159.760 137.724 27.2 280.1 62.8 320 1334 C 14 H 7 A 0.750 132.750 20 118.3 24.3 2.461E-05 3322723813.21875 37.20 81.1 81.1 27.060 159.810 137.767 10.4 306.5 79.6 320 1334 C 14 H 7 A 0.800 132.800 20 37.7 -16.4 5.042E-05 3322723818.53125 37.20 0.5 0.5 27.060 159.860 137.810 73.6 46.3 16.4 320 1334 C 14 H 7 A 0.850 132.850 20 47.0 -31.2 3.452E-05 3322723823.85937 37.20 9.8 9.8 27.060 159.910 137.853 63.3 26.8 26.7 320 1334 C 15 H 2 A 0.100 134.600 20 278.6 7.5 5.101E-05 3322724561.23437 254.60 24.0 24.0 28.230 162.830 140.371 65.8 326.7 24.2 320 1334 C 15 H 2 A 0.150 134.650 20 274.5 -1.0 3.857E-05 3322724566.54687 254.60 19.9 19.9 28.230 162.880 140.414 68.4 340.3 21.6 320 1334 C 15 H 2 A 0.200 134.700 20 266.3 6.0 2.538E-05 3322724571.87500 254.60 11.7 11.7 28.230 162.930 140.457 77.3 340.6 12.7 320 1334 C 15 H 2 A 0.250 134.750 20 291.6 9.0 3.556E-05 3322724577.20312 254.60 37.0 37.0 28.230 162.980 140.500 53.1 321.1 36.9 320 1334 C 15 H 2 A 0.300 134.800 20 256.3 21.3 3.456E-05 3322724582.53125 254.60 1.7 1.7 28.230 163.030 140.543 86.5 256.8 3.5 320 1334 C 15 H 2 A 0.350 134.850 20 227.0 30.2 1.834E-05 3322724587.85937 254.60 332.4 -27.6 28.230 163.080 140.586 61.8 157.6 28.2 320 1334 C 15 H 2 A 0.400 134.900 20 254.4 17.4 3.250E-05 3322724593.18750 254.60 359.8 -0.2 28.230 163.130 140.629 89.1 215.7 0.9 320 1334 C 15 H 2 A 0.450 134.950 20 264.7 3.9 2.707E-05 3322724598.50000 254.60 10.1 10.1 28.230 163.180 140.672 78.3 348.5 11.7 320 1334 C 15 H 2 A 0.500 135.000 20 265.7 10.0 3.828E-05 3322724603.82812 254.60 11.1 11.1 28.230 163.230 140.716 78.6 332.4 11.4 320 1334 C 15 H 2 A 0.550 135.050 20 263.9 11.2 4.633E-05 3322724609.15625 254.60 9.3 9.3 28.230 163.280 140.759 80.5 331.7 9.5 320 1334 C 15 H 2 A 0.600 135.100 20 233.0 40.1 1.393E-05 3322724614.48437 254.60 338.4 -21.6 28.230 163.330 140.802 64.5 176.0 25.5 320 1334 C 15 H 2 A 0.650 135.150 20 88.9 45.9 1.615E-05 3322724619.81250 254.60 194.3 194.3 28.230 163.380 140.845 -52.1 207.1 142.1 320 1334 C 15 H 2 A 0.700 135.200 20 248.5 45.6 2.712E-05 3322724625.12500 254.60 353.9 -6.1 28.230 163.430 140.888 70.1 211.9 19.9 320 1334 C 15 H 2 A 0.750 135.250 20 288.8 44.2 2.840E-05 3322724630.45312 254.60 34.2 34.2 28.230 163.480 140.931 52.9 284.9 37.1 320 1334 C 15 H 2 A 0.800 135.300 20 240.2 44.3 2.256E-05 3322724635.78125 254.60 345.6 -14.4 28.230 163.530 140.974 67.4 192.5 22.6 320 1334 C 15 H 2 A 0.850 135.350 20 241.0 4.1 3.923E-05 3322724641.10937 254.60 346.4 -13.6 28.230 163.580 141.017 75.2 115.0 14.8 320 1334 C 15 H 2 A 0.900 135.400 20 278.7 -21.5 3.999E-05 3322724646.43750 254.60 24.1 24.1 28.230 163.630 141.060 59.3 356.3 30.7 320 1334 C 15 H 2 A 0.950 135.450 20 299.8 -0.4 3.391E-05 3322724651.75000 254.60 45.2 45.2 28.230 163.680 141.103 44.2 326.2 45.8 320 1334 C 15 H 2 A 1.000 135.500 20 254.8 18.7 5.332E-05 3322724657.07812 254.60 0.2 0.2 28.230 163.730 141.147 88.4 235.0 1.6 320 1334 C 15 H 2 A 1.050 135.550 20 240.2 34.5 6.926E-05 3322724662.40625 254.60 345.6 -14.4 28.230 163.780 141.190 72.2 177.6 17.8 320 1334 C 15 H 2 A 1.100 135.600 20 249.1 18.0 6.409E-05 3322724667.73437 254.60 354.5 -5.5 28.230 163.830 141.233 84.4 151.2 5.6 320 1334 C 15 H 2 A 1.150 135.650 20 247.2 -1.9 4.645E-05 3322724673.04687 254.60 352.6 -7.4 28.230 163.880 141.276 78.4 87.9 11.6 320 1334 C 15 H 2 A 1.200 135.700 20 265.0 -0.9 3.386E-05 3322724678.37500 254.60 10.4 10.4 28.230 163.930 141.319 76.6 356.7 13.4 320 1334 C 15 H 2 A 1.250 135.750 20 257.9 12.9 2.981E-05 3322724683.70312 254.60 3.3 3.3 28.230 163.980 141.362 86.4 342.0 3.6 320 1334 C 15 H 2 A 1.300 135.800 20 228.8 15.2 2.956E-05 3322724689.03125 254.60 334.2 -25.8 28.230 164.030 141.405 64.5 139.2 25.6 320 1334 C 15 H 2 A 1.350 135.850 20 271.6 14.8 2.710E-05 3322724694.35937 254.60 17.0 17.0 28.230 164.080 141.448 73.2 318.5 16.9 320 1334 C 15 H 2 A 1.400 135.900 20 242.6 15.7 2.863E-05 3322724699.68750 254.60 348.0 -12.0 28.230 164.130 141.491 78.1 138.9 11.9 320 1334 C 15 H 3 A 0.100 136.100 20 305.5 8.1 7.394E-05 3322725423.68750 254.60 50.9 50.9 28.230 164.330 141.664 39.3 319.3 50.7 320 1334 C 15 H 3 A 0.150 136.150 20 288.4 37.2 1.753E-05 3322725429.01562 254.60 33.8 33.8 28.230 164.380 141.707 55.0 293.0 35.0 320 1334 C 15 H 3 A 0.200 136.200 20 206.3 14.2 4.961E-05 3322725434.34375 254.60 311.7 -48.3 28.230 164.430 141.750 42.2 140.5 47.9 320 1334 C 15 H 3 A 0.250 136.250 20 239.0 13.0 4.989E-05 3322725439.65625 254.60 344.4 -15.6 28.230 164.480 141.793 74.5 133.8 15.5 320 1334 C 15 H 3 A 0.300 136.300 20 279.1 17.1 1.047E-04 3322725444.98437 254.60 24.5 24.5 28.230 164.530 141.836 65.8 314.5 24.3 320 1334 C 15 H 3 A 0.350 136.350 20 336.7 48.4 6.438E-05 3322725450.31250 254.60 82.1 82.1 28.230 164.580 141.879 10.8 289.5 79.2 320 1334 C 15 H 3 A 0.400 136.400 20 215.7 26.6 2.533E-05 3322725455.64062 254.60 321.1 -38.9 28.230 164.630 141.922 51.4 150.6 38.6 320 1334 C 15 H 3 A 0.450 136.450 20 243.1 10.2 4.603E-05 3322725460.96875 254.60 348.5 -11.5 28.230 164.680 141.966 78.2 124.7 11.8 320 1334 C 15 H 3 A 0.500 136.500 20 234.6 6.0 4.961E-05 3322725466.29687 254.60 340.0 -20.0 28.230 164.730 142.009 69.5 125.1 20.5 320 1334 C 15 H 3 A 0.550 136.550 20 253.9 6.7 9.093E-05 3322725471.60937 254.60 359.3 -0.7 28.230 164.780 142.052 85.3 56.6 4.7 320 1334 C 15 H 3 A 0.600 136.600 20 200.5 34.0 6.756E-05 3322725476.93750 254.60 305.9 -54.1 28.230 164.830 142.095 36.5 155.3 53.5 320 1334 C 15 H 3 A 0.650 136.650 20 180.4 38.2 2.830E-05 3322725482.26562 254.60 285.8 -74.2 28.230 164.880 142.138 17.6 158.1 72.4 320 1334 C 15 H 3 A 0.700 136.700 20 253.5 9.8 3.585E-05 3322725487.59375 254.60 358.9 -1.1 28.230 164.930 142.181 86.8 67.7 3.3 320 1334 C 15 H 3 A 0.750 136.750 20 208.4 9.1 3.108E-05 3322725492.90625 254.60 313.8 -46.2 28.230 164.980 142.224 44.0 136.7 46.0 320 1334 C 15 H 3 A 0.800 136.800 20 294.0 -35.3 2.214E-05 3322725498.23437 254.60 39.4 39.4 28.230 165.030 142.267 42.5 353.9 47.6 320 1334 C 15 H 3 A 0.850 136.850 20 274.4 -9.5 6.467E-05 3322725503.56250 254.60 19.8 19.8 28.230 165.080 142.310 66.5 350.3 23.5 320 1334 C 15 H 3 A 0.900 136.900 20 257.0 10.4 4.829E-05 3322725508.89062 254.60 2.4 2.4 28.230 165.130 142.353 86.4 7.0 3.6 320 1334 C 15 H 3 A 0.950 136.950 20 227.3 28.3 1.739E-05 3322725514.21875 254.60 332.7 -27.3 28.230 165.180 142.397 62.4 155.3 27.6 320 1334 C 15 H 3 A 1.000 137.000 20 22.5 -70.3 4.228E-05 3322725519.53125 254.60 127.9 127.9 28.230 165.230 142.440 -27.9 16.7 117.9 320 1334 C 15 H 3 A 1.050 137.050 20 274.2 -10.6 7.496E-05 3322725524.85937 254.60 19.6 19.6 28.230 165.280 142.483 66.3 351.7 23.7 320 1334 C 15 H 3 A 1.100 137.100 20 263.3 7.2 5.417E-05 3322725530.17187 254.60 8.7 8.7 28.230 165.330 142.526 80.3 344.4 9.7 320 1334 C 15 H 3 A 1.150 137.150 20 237.8 4.6 3.890E-05 3322725535.50000 254.60 343.2 -16.8 28.230 165.380 142.569 72.3 120.1 17.7 320 1334 C 15 H 3 A 1.200 137.200 20 223.1 14.6 6.147E-05 3322725540.82812 254.60 328.5 -31.5 28.230 165.430 142.612 58.8 139.2 31.2 320 1334 C 15 H 3 A 1.250 137.250 20 281.7 27.5 1.394E-04 3322725546.15625 254.60 27.1 27.1 28.230 165.480 142.655 62.7 301.7 27.4 320 1334 C 15 H 3 A 1.300 137.300 20 314.4 58.0 1.831E-04 3322725551.48437 254.60 59.8 59.8 28.230 165.530 142.698 28.4 278.1 61.6 320 1334 C 15 H 3 A 1.350 137.350 20 91.3 42.9 1.572E-04 3322725556.81250 254.60 196.7 196.7 28.230 165.580 142.741 -53.3 202.2 143.3 320 1334 C 15 H 3 A 1.400 137.400 20 226.9 42.4 3.368E-05 3322725562.12500 254.60 332.3 -27.7 28.230 165.630 142.784 58.8 173.3 31.2 320 1334 C 15 H 4 A 0.100 137.600 20 269.6 -17.6 4.737E-05 3322726232.56250 254.60 15.0 15.0 28.230 165.830 142.957 67.4 6.4 22.6 320 1334 C 15 H 4 A 0.150 137.650 20 251.7 -14.6 3.419E-05 3322726237.89062 254.60 357.1 -2.9 28.230 165.880 143.000 74.3 58.7 15.7 320 1334 C 15 H 4 A 0.200 137.700 20 250.1 0.9 3.105E-05 3322726243.20312 254.60 355.5 -4.5 28.230 165.930 143.043 81.2 79.0 8.8 320 1334 C 15 H 4 A 0.250 137.750 20 252.1 -5.8 6.316E-05 3322726248.53125 254.60 357.5 -2.5 28.230 165.980 143.086 78.8 61.0 11.2 320 1334 C 15 H 4 A 0.300 137.800 20 249.2 0.1 6.769E-05 3322726253.85937 254.60 354.6 -5.4 28.230 166.030 143.129 80.4 82.4 9.6 320 1334 C 15 H 4 A 0.350 137.850 20 249.0 10.2 4.630E-05 3322726259.17187 254.60 354.4 -5.6 28.230 166.080 143.172 83.8 111.2 6.3 320 1334 C 15 H 4 A 0.400 137.900 20 232.0 12.1 3.221E-05 3322726264.50000 254.60 337.4 -22.6 28.230 166.130 143.216 67.5 134.7 22.5 320 1334 C 15 H 4 A 0.450 137.950 20 244.6 3.0 3.653E-05 3322726269.82812 254.60 350.0 -10.0 28.230 166.180 143.259 78.1 105.4 11.9 320 1334 C 15 H 4 A 0.500 138.000 20 226.9 6.1 3.847E-05 3322726275.15625 254.60 332.3 -27.7 28.230 166.230 143.302 62.0 129.4 28.0 320 1334 C 15 H 4 A 0.550 138.050 20 189.6 14.5 4.055E-05 3322726280.48437 254.60 295.0 -65.0 28.230 166.280 143.345 25.7 142.4 64.4 320 1334 C 15 H 4 A 0.600 138.100 20 241.8 19.9 2.820E-05 3322726285.79687 254.60 347.2 -12.8 28.230 166.330 143.388 77.2 149.1 12.8 320 1334 C 15 H 4 A 0.650 138.150 20 246.6 8.6 2.564E-05 3322726291.12500 254.60 352.0 -8.0 28.230 166.380 143.431 81.2 113.7 8.8 320 1334 C 15 H 4 A 0.700 138.200 20 209.0 6.8 3.152E-05 3322726296.45312 254.60 314.4 -45.6 28.230 166.430 143.474 44.4 135.0 45.6 320 1334 C 15 H 4 A 0.750 138.250 20 271.5 12.5 4.252E-05 3322726301.78125 254.60 16.9 16.9 28.230 166.480 143.517 73.2 322.6 16.9 320 1334 C 15 H 4 A 0.800 138.300 20 237.9 10.7 3.254E-05 3322726307.10937 254.60 343.3 -16.7 28.230 166.530 143.560 73.2 130.2 16.8 320 1334 C 15 H 4 A 0.850 138.350 20 115.7 -26.7 6.847E-05 3322726312.43750 254.60 221.1 221.1 28.230 166.580 143.603 -49.3 125.7 139.3 320 1334 C 15 H 4 A 0.900 138.400 20 267.2 -37.0 1.003E-04 3322726317.75000 254.60 12.6 12.6 28.230 166.630 143.647 58.8 24.8 31.2 320 1334 C 15 H 4 A 0.950 138.450 20 255.5 -9.0 6.382E-05 3322726323.07812 254.60 0.9 0.9 28.230 166.680 143.690 77.4 43.9 12.6 320 1334 C 15 H 4 A 1.000 138.500 20 218.2 13.0 3.462E-05 3322726328.40625 254.60 323.6 -36.4 28.230 166.730 143.733 53.9 138.3 36.1 320 1334 C 15 H 4 A 1.050 138.550 20 248.9 20.0 3.971E-05 3322726333.73437 254.60 354.3 -5.7 28.230 166.780 143.776 83.9 160.8 6.1 320 1334 C 15 H 4 A 1.100 138.600 20 244.7 23.4 8.995E-05 3322726339.04687 254.60 350.1 -9.9 28.230 166.830 143.819 79.4 162.2 10.6 320 1334 C 15 H 4 A 1.150 138.650 20 223.7 31.9 7.502E-05 3322726344.37500 254.60 329.1 -30.9 28.230 166.880 143.862 58.5 158.2 31.5 320 1334 C 15 H 4 A 1.200 138.700 20 242.9 45.3 2.475E-05 3322726349.70312 254.60 348.3 -11.7 28.230 166.930 143.905 68.2 198.9 21.8 320 1334 C 15 H 4 A 1.250 138.750 20 222.7 23.7 3.202E-05 3322726355.03125 254.60 328.1 -31.9 28.230 166.980 143.948 58.3 148.7 31.7 320 1334 C 15 H 4 A 1.300 138.800 20 246.5 14.8 6.549E-05 3322726360.35937 254.60 351.9 -8.1 28.230 167.030 143.991 82.0 135.2 8.0 320 1334 C 15 H 4 A 1.350 138.850 20 235.6 15.8 4.798E-05 3322726365.67187 254.60 341.0 -19.0 28.230 167.080 144.034 71.2 139.5 18.8 320 1334 C 15 H 4 A 1.400 138.900 20 213.7 13.6 2.816E-05 3322726371.00000 254.60 319.1 -40.9 28.230 167.130 144.078 49.5 139.3 40.6 320 1334 C 15 H 5 A 0.100 139.100 20 255.3 -1.1 5.169E-05 3322727373.28125 254.60 0.7 0.7 28.230 167.330 144.250 81.4 43.3 8.6 320 1334 C 15 H 5 A 0.150 139.150 20 249.9 7.3 4.316E-05 3322727378.60937 254.60 355.3 -4.7 28.230 167.380 144.293 83.6 95.5 6.4 320 1334 C 15 H 5 A 0.200 139.200 20 258.4 3.9 3.818E-05 3322727383.92187 254.60 3.8 3.8 28.230 167.430 144.336 82.9 15.8 7.1 320 1334 C 15 H 5 A 0.250 139.250 20 248.3 10.7 2.927E-05 3322727389.25000 254.60 353.7 -6.3 28.230 167.480 144.379 83.2 115.8 6.8 320 1334 C 15 H 5 A 0.300 139.300 20 222.6 36.0 4.850E-06 3322727394.57812 254.60 328.0 -32.0 28.230 167.530 144.422 56.8 162.6 33.2 320 1334 C 15 H 5 A 0.350 139.350 20 205.9 -0.7 5.971E-05 3322727399.90625 254.60 311.3 -48.7 28.230 167.580 144.466 40.8 130.6 49.3 320 1334 C 15 H 5 A 0.400 139.400 20 219.3 1.0 3.617E-05 3322727405.23437 254.60 324.7 -35.3 28.230 167.630 144.509 54.0 127.7 36.0 320 1334 C 15 H 5 A 0.450 139.450 20 245.8 -1.1 3.076E-05 3322727410.56250 254.60 351.2 -8.8 28.230 167.680 144.552 77.8 94.2 12.3 320 1334 C 15 H 5 A 0.500 139.500 20 259.6 7.5 4.036E-05 3322727415.87500 254.60 5.0 5.0 28.230 167.730 144.595 83.5 358.2 6.5 320 1334 C 15 H 5 A 0.550 139.550 20 233.2 8.7 4.084E-05 3322727421.20312 254.60 338.6 -21.4 28.230 167.780 144.638 68.4 129.6 21.6 320 1334 C 15 H 5 A 0.600 139.600 20 270.1 17.4 2.693E-05 3322727426.53125 254.60 15.5 15.5 28.230 167.830 144.681 74.6 313.5 15.4 320 1334 C 15 H 5 A 0.650 139.650 20 273.2 14.7 2.710E-05 3322727431.85937 254.60 18.6 18.6 28.230 167.880 144.724 71.6 318.4 18.4 320 1334 C 15 H 5 A 0.700 139.700 20 238.6 26.4 3.273E-05 3322727437.17187 254.60 344.0 -16.0 28.230 167.930 144.767 73.2 160.1 16.8 320 1334 C 15 H 5 A 0.750 139.750 20 263.6 29.5 3.021E-05 3322727442.50000 254.60 9.0 9.0 28.230 167.980 144.810 78.2 275.7 11.8 320 1334 C 15 H 5 A 0.800 139.800 20 204.2 14.8 4.806E-05 3322727447.82812 254.60 309.6 -50.4 28.230 168.030 144.853 40.1 141.2 49.9 320 1334 C 15 H 5 A 0.850 139.850 20 239.3 6.5 4.108E-05 3322727453.15625 254.60 344.7 -15.3 28.230 168.080 144.897 74.1 121.6 15.9 320 1334 C 15 H 5 A 0.900 139.900 20 269.6 8.5 4.083E-05 3322727458.48437 254.60 15.0 15.0 28.230 168.130 144.940 74.6 331.2 15.4 320 1334 C 15 H 5 A 0.950 139.950 20 242.8 15.3 3.892E-05 3322727463.79687 254.60 348.2 -11.8 28.230 168.180 144.983 78.3 137.8 11.7 320 1334 C 15 H 5 A 1.000 140.000 20 264.1 18.6 3.815E-05 3322727469.12500 254.60 9.5 9.5 28.230 168.230 145.026 80.5 307.9 9.5 320 1334 C 15 H 5 A 1.050 140.050 20 265.3 22.4 2.958E-05 3322727474.45312 254.60 10.7 10.7 28.230 168.280 145.069 78.9 298.1 11.2 320 1334 C 15 H 5 A 1.100 140.100 20 283.6 73.3 2.952E-05 3322727479.78125 254.60 29.0 29.0 28.230 168.330 145.112 34.4 245.6 55.6 320 1334 C 15 H 5 A 1.150 140.150 20 205.3 40.6 7.775E-05 3322727485.09375 254.60 310.7 -49.3 28.230 168.380 145.155 40.4 161.8 49.6 320 1334 C 15 H 5 A 1.200 140.200 20 232.2 25.0 4.637E-05 3322727490.42187 254.60 337.6 -22.4 28.230 168.430 145.198 67.4 153.0 22.6 320 1334 C 15 H 5 A 1.250 140.250 20 237.5 15.7 2.613E-05 3322727495.75000 254.60 342.9 -17.1 28.230 168.480 145.241 73.1 139.2 16.9 320 1334 C 15 H 5 A 1.300 140.300 20 247.9 11.5 2.445E-05 3322727501.07812 254.60 353.3 -6.7 28.230 168.530 145.284 83.0 120.2 7.0 320 1334 C 15 H 5 A 1.350 140.350 20 250.9 -1.2 4.145E-05 3322727506.40625 254.60 356.3 -3.7 28.230 168.580 145.328 80.6 71.4 9.4 320 1334 C 15 H 5 A 1.400 140.400 20 251.4 1.2 4.977E-05 3322727511.71875 254.60 356.8 -3.2 28.230 168.630 145.371 81.9 71.5 8.1 320 1334 C 15 H 6 A 0.100 140.600 20 284.4 44.3 2.845E-05 3322729154.90625 254.60 29.8 29.8 28.230 168.830 145.543 56.4 281.9 33.6 320 1334 C 15 H 6 A 0.150 140.650 20 286.4 33.1 3.620E-05 3322729160.23437 254.60 31.8 31.8 28.230 168.880 145.586 57.5 296.8 32.5 320 1334 C 15 H 6 A 0.200 140.700 20 245.9 28.6 2.513E-05 3322729165.54687 254.60 351.3 -8.7 28.230 168.930 145.629 78.8 179.2 11.2 320 1334 C 15 H 6 A 0.250 140.750 20 268.0 18.5 2.914E-05 3322729170.87500 254.60 13.4 13.4 28.230 168.980 145.672 76.7 310.6 13.3 320 1334 C 15 H 6 A 0.300 140.800 20 280.4 11.0 3.705E-05 3322729176.20312 254.60 25.8 25.8 28.230 169.030 145.716 64.3 321.9 25.7 320 1334 C 15 H 6 A 0.350 140.850 20 239.3 13.5 3.565E-05 3322729181.53125 254.60 344.7 -15.3 28.230 169.080 145.759 74.8 134.7 15.2 320 1334 C 15 H 6 A 0.400 140.900 20 269.9 10.7 4.460E-05 3322729186.85937 254.60 15.3 15.3 28.230 169.130 145.802 74.6 326.8 15.4 320 1334 C 15 H 6 A 0.450 140.950 20 256.4 1.8 6.948E-05 3322729192.17187 254.60 1.8 1.8 28.230 169.180 145.845 82.7 33.8 7.3 320 1334 C 15 H 6 A 0.500 141.000 20 203.6 -16.0 4.537E-05 3322729197.50000 254.60 309.0 -51.0 28.230 169.230 145.888 36.7 121.6 53.3 320 1334 C 15 H 6 A 0.550 141.050 20 110.1 -29.4 8.553E-05 3322729202.82812 254.60 215.5 215.5 28.230 169.280 145.931 -54.5 122.1 144.5 320 1334 C 15 H 6 A 0.600 141.100 20 4.6 -62.4 2.269E-05 3322729208.15625 254.60 110.0 110.0 28.230 169.330 145.974 -19.9 1.8 109.9 320 1334 C 15 H 6 A 0.650 141.150 20 284.2 2.9 2.095E-05 3322729213.48437 254.60 29.6 29.6 28.230 169.380 146.017 59.8 329.0 30.2 320 1334 C 15 H 6 A 0.700 141.200 20 281.8 18.3 3.441E-05 3322729218.81250 254.60 27.2 27.2 28.230 169.430 146.060 63.1 313.0 26.9 320 1334 C 15 H 6 A 0.750 141.250 20 261.6 12.4 4.054E-05 3322729224.12500 254.60 7.0 7.0 28.230 169.480 146.103 82.8 331.5 7.2 320 1334 C 15 H 6 A 0.800 141.300 20 274.2 4.2 3.897E-05 3322729229.45312 254.60 19.6 19.6 28.230 169.530 146.147 69.6 333.8 20.4 320 1334 C 15 H 6 A 0.850 141.350 20 277.4 -1.4 6.785E-05 3322729234.78125 254.60 22.8 22.8 28.230 169.580 146.190 65.7 337.9 24.3 320 1334 C 15 H 6 A 0.900 141.400 20 283.3 3.5 5.297E-05 3322729240.10937 254.60 28.7 28.7 28.230 169.630 146.233 60.8 328.9 29.3 320 1334 C 15 H 7 A 0.100 141.600 20 271.7 25.1 9.614E-06 3322729835.28125 254.60 17.1 17.1 28.230 169.830 146.405 72.4 299.4 17.6 320 1334 C 15 H 7 A 0.150 141.650 20 288.6 0.2 1.795E-05 3322729840.59375 254.60 34.0 34.0 28.230 169.880 146.448 55.2 329.5 34.8 320 1334 C 15 H 7 A 0.200 141.700 20 263.7 18.2 1.108E-05 3322729845.92187 254.60 9.1 9.1 28.230 169.930 146.491 80.9 308.9 9.1 320 1334 C 15 H 7 A 0.250 141.750 20 286.0 15.6 1.530E-05 3322729851.25000 254.60 31.4 31.4 28.230 169.980 146.534 58.9 315.9 31.1 320 1334 C 15 H 7 A 0.300 141.800 20 310.7 14.1 2.050E-05 3322729856.57812 254.60 56.1 56.1 28.230 170.030 146.578 34.4 314.8 55.6 320 1334 C 15 H 7 A 0.350 141.850 20 314.0 15.7 1.494E-05 3322729861.89062 254.60 59.4 59.4 28.230 170.080 146.621 31.2 313.5 58.8 320 1334 C 15 H 7 A 0.400 141.900 20 258.5 0.5 2.757E-05 3322729867.21875 254.60 3.9 3.9 28.230 170.130 146.664 81.3 21.2 8.7 320 1334 C 15 H 7 A 0.450 141.950 20 288.0 4.1 4.562E-05 3322729872.53125 254.60 33.4 33.4 28.230 170.180 146.707 56.2 326.4 33.8 320 1334 C 15 H 7 A 0.500 142.000 20 275.1 24.7 2.155E-05 3322729877.85937 254.60 20.5 20.5 28.230 170.230 146.750 69.3 302.5 20.8 320 1334 C 15 H 7 A 0.550 142.050 20 322.8 53.2 2.938E-05 3322729883.18750 254.60 68.2 68.2 28.230 170.280 146.793 22.5 284.7 67.5 320 1334 C 15 H 7 A 0.600 142.100 20 270.7 26.7 6.766E-05 3322729888.51562 254.60 16.1 16.1 28.230 170.330 146.836 73.1 295.5 16.9 320 1334 C 16 H 1 A 0.550 143.050 20 235.2 62.9 9.860E-05 3322730610.01562 323.80 271.4 -88.6 29.690 172.740 148.914 6.6 182.0 83.4 320 1334 C 16 H 1 A 0.600 143.100 20 24.0 52.7 2.532E-05 3322730615.32812 323.80 60.2 60.2 29.690 172.790 148.957 29.2 284.2 60.8 320 1334 C 16 H 1 A 0.650 143.150 20 324.8 10.2 4.624E-05 3322730620.65625 323.80 1.0 1.0 29.690 172.840 149.000 87.0 28.8 3.0 320 1334 C 16 H 1 A 0.700 143.200 20 304.2 11.1 4.797E-05 3322730625.98437 323.80 340.4 -19.6 29.690 172.890 149.043 70.4 132.2 19.6 320 1334 C 16 H 1 A 0.750 143.250 20 306.7 36.6 2.010E-05 3322730631.29687 323.80 342.9 -17.1 29.690 172.940 149.086 69.4 176.6 20.7 320 1334 C 16 H 1 A 0.800 143.300 20 281.0 18.4 1.192E-04 3322730636.62500 323.80 317.2 -42.8 29.690 172.990 149.129 47.7 143.3 42.3 320 1334 C 16 H 1 A 0.850 143.350 20 299.3 14.7 2.195E-04 3322730641.95312 323.80 335.5 -24.5 29.690 173.040 149.172 65.7 138.5 24.3 320 1334 C 16 H 1 A 0.900 143.400 20 295.7 15.8 1.161E-04 3322730647.28125 323.80 331.9 -28.1 29.690 173.090 149.216 62.2 140.1 27.8 320 1334 C 16 H 1 A 0.950 143.450 20 357.9 35.9 5.333E-05 3322730652.60937 323.80 34.1 34.1 29.690 173.140 149.259 54.9 294.6 35.1 320 1334 C 16 H 1 A 1.000 143.500 20 23.3 17.7 6.555E-05 3322730657.92187 323.80 59.5 59.5 29.690 173.190 149.302 31.2 312.2 58.8 320 1334 C 16 H 1 A 1.050 143.550 20 276.6 53.3 2.726E-05 3322730663.25000 323.80 312.8 -47.2 29.690 173.240 149.345 39.5 175.9 50.5 320 1334 C 16 H 1 A 1.100 143.600 20 217.6 36.1 4.301E-05 3322730668.57812 323.80 253.8 253.8 29.690 173.290 149.388 -12.2 160.6 102.2 320 1334 C 16 H 1 A 1.150 143.650 20 308.2 32.0 4.787E-05 3322730673.90625 323.80 344.4 -15.6 29.690 173.340 149.431 72.2 171.1 17.8 320 1334 C 16 H 1 A 1.200 143.700 20 305.4 26.0 6.750E-05 3322730679.23437 323.80 341.6 -18.4 29.690 173.390 149.474 71.1 157.2 18.9 320 1334 C 16 H 1 A 1.250 143.750 20 292.0 17.0 8.201E-05 3322730684.54687 323.80 328.2 -31.8 29.690 173.440 149.517 58.5 141.6 31.5 320 1334 C 16 H 1 A 1.300 143.800 20 342.7 24.8 6.314E-05 3322730689.87500 323.80 18.9 18.9 29.690 173.490 149.560 70.8 301.3 19.2 320 1334 C 16 H 1 A 1.350 143.850 20 31.9 27.9 1.223E-04 3322730695.20312 323.80 68.1 68.1 29.690 173.540 149.603 23.1 305.3 66.9 320 1334 C 16 H 1 A 1.400 143.900 20 78.9 -3.2 1.729E-04 3322730700.53125 323.80 115.1 115.1 29.690 173.590 149.647 -25.1 316.0 115.1 320 1334 C 16 H 2 A 0.100 144.100 20 69.0 42.4 2.507E-04 3322731514.37500 323.80 105.2 105.2 29.690 173.790 149.819 -10.3 291.2 100.3 320 1334 C 16 H 2 A 0.150 144.150 20 315.6 45.1 1.383E-04 3322731519.68750 323.80 351.8 -8.2 29.690 173.840 149.862 69.8 206.4 20.2 320 1334 C 16 H 2 A 0.200 144.200 20 247.3 29.1 9.299E-05 3322731525.01562 323.80 283.5 -76.5 29.690 173.890 149.905 15.1 152.1 74.9 320 1334 C 16 H 2 A 0.250 144.250 20 267.3 -47.4 3.846E-05 3322731530.34375 323.80 303.5 -56.5 29.690 173.940 149.948 24.4 101.6 65.6 320 1334 C 16 H 2 A 0.300 144.300 20 274.1 5.0 8.619E-05 3322731535.65625 323.80 310.3 -49.7 29.690 173.990 149.991 40.2 134.5 49.8 320 1334 C 16 H 2 A 0.350 144.350 20 205.7 73.7 7.970E-05 3322731540.98437 323.80 241.9 241.9 29.690 174.040 150.034 -6.6 201.4 96.6 320 1334 C 16 H 2 A 0.400 144.400 20 56.4 37.8 1.114E-04 3322731546.31250 323.80 92.6 92.6 29.690 174.090 150.078 0.5 296.7 89.5 320 1334 C 16 H 2 A 0.450 144.450 20 312.7 36.0 1.438E-04 3322731551.64062 323.80 348.9 -11.1 29.690 174.140 150.121 73.9 187.2 16.1 320 1334 C 16 H 2 A 0.500 144.500 20 253.9 50.8 1.290E-04 3322731556.96875 323.80 290.1 -69.9 29.690 174.190 150.164 21.3 168.8 68.7 320 1334 C 16 H 2 A 0.550 144.550 20 285.2 40.5 1.009E-04 3322731562.28125 323.80 321.4 -38.6 29.690 174.240 150.207 50.0 164.8 40.0 320 1334 C 16 H 2 A 0.600 144.600 20 330.7 11.5 1.381E-04 3322731567.60937 323.80 6.9 6.9 29.690 174.290 150.250 82.8 335.3 7.2 320 1334 C 16 H 2 A 0.650 144.650 20 0.3 7.6 1.352E-04 3322731572.93750 323.80 36.5 36.5 29.690 174.340 150.293 53.5 322.4 36.5 320 1334 C 16 H 2 A 0.700 144.700 20 300.1 15.6 1.202E-04 3322731578.26562 323.80 336.3 -23.7 29.690 174.390 150.336 66.5 139.6 23.5 320 1334 C 16 H 2 A 0.750 144.750 20 281.1 34.2 4.362E-05 3322731583.57812 323.80 317.3 -42.7 29.690 174.440 150.379 47.2 157.1 42.8 320 1334 C 16 H 2 A 0.800 144.800 20 58.1 58.2 1.950E-05 3322731588.90625 323.80 94.3 94.3 29.690 174.490 150.422 1.7 279.0 88.3 320 1334 C 16 H 2 A 0.850 144.850 20 306.8 13.3 4.032E-05 3322731594.23437 323.80 343.0 -17.0 29.690 174.540 150.466 73.1 134.9 16.9 320 1334 C 16 H 2 A 0.900 144.900 20 292.0 19.7 9.267E-05 3322731599.54687 323.80 328.2 -31.8 29.690 174.590 150.509 58.5 144.4 31.5 320 1334 C 16 H 2 A 0.950 144.950 20 290.2 47.8 6.426E-05 3322731604.87500 323.80 326.4 -33.6 29.690 174.640 150.552 52.1 175.9 37.9 320 1334 C 16 H 2 A 1.000 145.000 20 229.9 44.5 4.359E-05 3322731610.20312 323.80 266.1 266.1 29.690 174.690 150.595 0.1 164.5 90.0 320 1334 C 16 H 2 A 1.050 145.050 20 281.0 20.9 6.132E-05 3322731615.53125 323.80 317.2 -42.8 29.690 174.740 150.638 47.7 145.3 42.3 320 1334 C 16 H 2 A 1.100 145.100 20 323.5 14.7 8.545E-05 3322731620.85937 323.80 359.7 -0.3 29.690 174.790 150.681 89.4 77.5 0.6 320 1334 C 16 H 2 A 1.150 145.150 20 321.5 23.2 8.149E-05 3322731626.17187 323.80 357.7 -2.3 29.690 174.840 150.724 85.3 199.3 4.7 320 1334 C 16 H 2 A 1.200 145.200 20 324.8 19.4 7.956E-05 3322731631.50000 323.80 1.0 1.0 29.690 174.890 150.767 87.8 254.4 2.2 320 1334 C 16 H 2 A 1.250 145.250 20 319.9 14.4 8.539E-05 3322731636.82812 323.80 356.1 -3.9 29.690 174.940 150.810 86.1 128.3 3.9 320 1334 C 16 H 2 A 1.300 145.300 20 323.4 25.8 5.702E-05 3322731642.15625 323.80 359.6 -0.4 29.690 174.990 150.853 84.4 224.0 5.6 320 1334 C 16 H 2 A 1.350 145.350 20 310.7 64.9 5.247E-05 3322731647.48437 323.80 346.9 -13.1 29.690 175.040 150.897 49.6 214.2 40.5 320 1334 C 16 H 2 A 1.400 145.400 20 320.7 51.5 7.459E-05 3322731652.81250 323.80 356.9 -3.1 29.690 175.090 150.940 65.7 221.6 24.3 320 1334 C 16 H 3 A 0.100 145.600 20 324.2 23.6 1.138E-04 3322732312.98437 323.80 0.4 0.4 29.690 175.290 151.112 85.7 233.2 4.3 320 1334 C 16 H 3 A 0.150 145.650 20 283.8 27.3 8.845E-05 3322732318.31250 323.80 320.0 -40.0 29.690 175.340 151.155 50.3 151.1 39.7 320 1334 C 16 H 3 A 0.200 145.700 20 301.4 16.9 9.396E-05 3322732323.64062 323.80 337.6 -22.4 29.690 175.390 151.198 67.8 141.3 22.2 320 1334 C 16 H 3 A 0.250 145.750 20 293.3 11.3 1.063E-04 3322732328.96875 323.80 329.5 -30.5 29.690 175.440 151.241 59.6 135.7 30.4 320 1334 C 16 H 3 A 0.300 145.800 20 313.9 8.8 9.164E-05 3322732334.29687 323.80 350.1 -9.9 29.690 175.490 151.284 79.5 118.7 10.5 320 1334 C 16 H 3 A 0.350 145.850 20 345.7 13.2 1.320E-04 3322732339.60937 323.80 21.9 21.9 29.690 175.540 151.328 68.2 320.0 21.8 320 1334 C 16 H 3 A 0.400 145.900 20 337.1 65.5 1.294E-04 3322732344.93750 323.80 13.3 13.3 29.690 175.590 151.371 48.8 241.6 41.2 320 1334 C 16 H 3 A 0.450 145.950 20 298.4 46.5 1.175E-04 3322732350.26562 323.80 334.6 -25.4 29.690 175.640 151.414 58.9 180.7 31.1 320 1334 C 16 H 3 A 0.500 146.000 20 324.9 27.6 1.229E-04 3322732355.59375 323.80 1.1 1.1 29.690 175.690 151.457 83.3 237.1 6.7 320 1334 C 16 H 3 A 0.550 146.050 20 329.7 61.4 8.411E-05 3322732360.92187 323.80 5.9 5.9 29.690 175.740 151.500 55.1 235.6 34.9 320 1334 C 16 H 3 A 0.600 146.100 20 6.4 75.5 5.383E-05 3322732366.23437 323.80 42.6 42.6 29.690 175.790 151.543 27.3 248.5 62.7 320 1334 C 16 H 3 A 0.650 146.150 20 324.2 20.6 8.845E-05 3322732371.56250 323.80 0.4 0.4 29.690 175.840 151.586 87.3 236.5 2.7 320 1334 C 16 H 3 A 0.700 146.200 20 323.3 13.6 1.005E-04 3322732376.89062 323.80 359.5 -0.5 29.690 175.890 151.629 88.8 72.3 1.2 320 1334 C 16 H 3 A 0.750 146.250 20 320.4 6.9 1.011E-04 3322732382.21875 323.80 356.6 -3.4 29.690 175.940 151.672 84.3 84.9 5.7 320 1334 C 16 H 3 A 0.800 146.300 20 317.0 6.4 1.326E-04 3322732387.53125 323.80 353.2 -6.8 29.690 175.990 151.716 81.7 103.1 8.3 320 1334 C 16 H 3 A 0.850 146.350 20 345.9 19.0 1.225E-04 3322732392.85937 323.80 22.1 22.1 29.690 176.040 151.759 68.1 311.7 21.9 320 1334 C 16 H 3 A 0.900 146.400 20 340.5 22.0 1.235E-04 3322732398.18750 323.80 16.7 16.7 29.690 176.090 151.802 73.2 305.0 16.8 320 1334 C 16 H 3 A 0.950 146.450 20 319.1 10.2 2.546E-04 3322732403.51562 323.80 355.3 -4.7 29.690 176.140 151.845 84.5 106.8 5.5 320 1334 C 16 H 3 A 1.000 146.500 20 305.1 0.5 5.869E-04 3322732408.84375 323.80 341.3 -18.7 29.690 176.190 151.888 69.8 116.3 20.2 320 1334 C 16 H 3 A 1.050 146.550 20 317.6 -3.6 3.144E-04 3322732414.17187 323.80 353.8 -6.2 29.690 176.240 151.931 78.4 80.5 11.6 320 1334 C 16 H 3 A 1.100 146.600 20 331.3 20.2 1.058E-04 3322732419.50000 323.80 7.5 7.5 29.690 176.290 151.974 82.2 299.3 7.8 320 1334 C 16 H 3 A 1.150 146.650 20 14.1 49.8 7.288E-05 3322732424.81250 323.80 50.3 50.3 29.690 176.340 152.017 38.0 285.2 52.0 320 1334 C 16 H 3 A 1.200 146.700 20 345.4 27.1 9.443E-05 3322732430.14062 323.80 21.6 21.6 29.690 176.390 152.060 67.9 299.4 22.1 320 1334 C 16 H 3 A 1.250 146.750 20 320.6 19.7 8.807E-05 3322732435.46875 323.80 356.8 -3.2 29.690 176.440 152.103 86.2 172.5 3.8 320 1334 C 16 H 3 A 1.300 146.800 20 338.4 6.3 8.400E-05 3322732440.79687 323.80 14.6 14.6 29.690 176.490 152.147 74.7 335.6 15.3 320 1334 C 16 H 3 A 1.350 146.850 20 334.2 8.2 1.529E-04 3322732446.10937 323.80 10.4 10.4 29.690 176.540 152.190 79.0 338.0 11.0 320 1334 C 16 H 3 A 1.400 146.900 20 323.7 11.4 1.754E-04 3322732451.43750 323.80 359.9 -0.1 29.690 176.590 152.233 87.8 50.6 2.3 320 1334 C 16 H 4 A 0.100 147.100 20 317.0 12.1 2.301E-04 3322733358.09375 323.80 353.2 -6.8 29.690 176.790 152.405 83.0 122.9 7.0 320 1334 C 16 H 4 A 0.150 147.150 20 327.6 13.5 2.145E-04 3322733363.42187 323.80 3.8 3.8 29.690 176.840 152.448 86.1 334.8 3.9 320 1334 C 16 H 4 A 0.200 147.200 20 329.1 17.6 1.864E-04 3322733368.75000 323.80 5.3 5.3 29.690 176.890 152.491 84.7 306.7 5.3 320 1334 C 16 H 4 A 0.250 147.250 20 343.5 26.9 1.465E-04 3322733374.07812 323.80 19.7 19.7 29.690 176.940 152.534 69.7 298.4 20.3 320 1334 C 16 H 4 A 0.300 147.300 20 338.9 44.6 1.278E-04 3322733379.40625 323.80 15.1 15.1 29.690 176.990 152.578 66.8 264.4 23.2 320 1334 C 16 H 4 A 0.350 147.350 20 327.5 35.1 1.380E-04 3322733384.71875 323.80 3.7 3.7 29.690 177.040 152.621 78.1 245.2 11.9 320 1334 C 16 H 4 A 0.400 147.400 20 317.8 14.8 1.466E-04 3322733390.04687 323.80 354.0 -6.0 29.690 177.090 152.664 84.0 133.9 6.0 320 1334 C 16 H 4 A 0.450 147.450 20 304.9 9.3 1.305E-04 3322733395.37500 323.80 341.1 -18.9 29.690 177.140 152.707 70.9 129.2 19.1 320 1334 C 16 H 4 A 0.500 147.500 20 331.5 14.0 1.265E-04 3322733400.70312 323.80 7.7 7.7 29.690 177.190 152.750 82.3 324.2 7.7 320 1334 C 16 H 4 A 0.550 147.550 20 344.2 12.8 1.671E-04 3322733406.01562 323.80 20.4 20.4 29.690 177.240 152.793 69.7 321.0 20.3 320 1334 C 16 H 4 A 0.600 147.600 20 328.9 2.4 1.467E-04 3322733411.34375 323.80 5.1 5.1 29.690 177.290 152.836 81.5 11.0 8.5 320 1334 C 16 H 4 A 0.650 147.650 20 337.8 3.7 1.504E-04 3322733416.67187 323.80 14.0 14.0 29.690 177.340 152.879 74.8 341.1 15.2 320 1334 C 16 H 4 A 0.700 147.700 20 326.4 3.2 1.568E-04 3322733422.00000 323.80 2.6 2.6 29.690 177.390 152.922 83.1 25.9 6.9 320 1334 C 16 H 4 A 0.750 147.750 20 332.8 14.1 9.465E-05 3322733427.32812 323.80 9.0 9.0 29.690 177.440 152.966 81.0 322.8 9.0 320 1334 C 16 H 4 A 0.800 147.800 20 322.0 35.6 8.244E-05 3322733432.65625 323.80 358.2 -1.8 29.690 177.490 153.009 78.2 219.7 11.8 320 1334 C 16 H 4 A 0.850 147.850 20 292.4 66.6 6.062E-05 3322733437.96875 323.80 328.6 -31.4 29.690 177.540 153.052 41.2 201.1 48.8 320 1334 C 16 H 4 A 0.900 147.900 20 184.2 31.0 9.061E-05 3322733443.29687 323.80 220.4 220.4 29.690 177.590 153.095 -43.0 169.9 133.0 320 1334 C 16 H 4 A 0.950 147.950 20 189.3 42.5 8.996E-05 3322733448.62500 323.80 225.5 225.5 29.690 177.640 153.138 -35.0 175.7 125.0 320 1334 C 16 H 4 A 1.000 148.000 20 168.0 60.4 8.509E-05 3322733453.95312 323.80 204.2 204.2 29.690 177.690 153.181 -35.9 205.7 125.9 320 1334 C 16 H 4 A 1.050 148.050 20 130.3 48.7 1.240E-04 3322733459.26562 323.80 166.5 166.5 29.690 177.740 153.224 -50.2 246.5 140.2 320 1334 C 16 H 4 A 1.100 148.100 20 122.5 29.5 1.323E-04 3322733464.59375 323.80 158.7 158.7 29.690 177.790 153.267 -58.2 269.6 148.2 320 1334 C 16 H 4 A 1.150 148.150 20 132.6 48.7 7.979E-05 3322733469.92187 323.80 168.8 168.8 29.690 177.840 153.310 -50.8 243.5 140.8 320 1334 C 16 H 4 A 1.200 148.200 20 156.7 48.7 1.035E-04 3322733475.25000 323.80 192.9 192.9 29.690 177.890 153.353 -50.4 210.3 140.4 320 1334 C 16 H 4 A 1.250 148.250 20 138.2 40.2 1.426E-04 3322733480.57812 323.80 174.4 174.4 29.690 177.940 153.397 -58.6 238.0 148.6 320 1334 C 16 H 4 A 1.300 148.300 20 140.4 27.4 1.685E-04 3322733485.89062 323.80 176.6 176.6 29.690 177.990 153.440 -67.2 236.6 157.2 320 1334 C 16 H 4 A 1.350 148.350 20 146.2 22.0 1.884E-04 3322733491.21875 323.80 182.4 182.4 29.690 178.040 153.483 -70.4 221.0 160.4 320 1334 C 16 H 4 A 1.400 148.400 20 148.8 30.2 1.492E-04 3322733496.54687 323.80 185.0 185.0 29.690 178.090 153.526 -65.3 216.5 155.3 320 1334 C 16 H 5 A 0.100 148.600 20 95.3 66.2 6.147E-05 3322734522.59375 323.80 131.5 131.5 29.690 178.290 153.698 -19.3 259.7 109.3 320 1334 C 16 H 5 A 0.150 148.650 20 20.9 62.2 6.875E-05 3322734527.92187 323.80 57.1 57.1 29.690 178.340 153.741 29.1 272.2 60.9 320 1334 C 16 H 5 A 0.200 148.700 20 292.1 76.0 6.769E-05 3322734533.25000 323.80 328.3 -31.7 29.690 178.390 153.784 30.0 212.3 60.0 320 1334 C 16 H 5 A 0.250 148.750 20 155.4 30.5 1.410E-04 3322734538.57812 323.80 191.6 191.6 29.690 178.440 153.828 -63.0 202.9 153.0 320 1334 C 16 H 5 A 0.300 148.800 20 148.4 26.4 1.765E-04 3322734543.89062 323.80 184.6 184.6 29.690 178.490 153.871 -67.6 216.3 157.6 320 1334 C 16 H 5 A 0.350 148.850 20 164.9 32.8 1.544E-04 3322734549.21875 323.80 201.1 201.1 29.690 178.540 153.914 -56.8 189.3 146.8 320 1334 C 16 H 5 A 0.400 148.900 20 147.9 57.5 9.726E-05 3322734554.53125 323.80 184.1 184.1 29.690 178.590 153.957 -43.7 223.6 133.7 320 1334 C 16 H 5 A 0.450 148.950 20 123.6 58.7 1.101E-04 3322734559.85937 323.80 159.8 159.8 29.690 178.640 154.000 -39.0 248.1 129.0 320 1334 C 16 H 5 A 0.500 149.000 20 142.0 34.3 1.640E-04 3322734565.18750 323.80 178.2 178.2 29.690 178.690 154.043 -63.1 231.8 153.1 320 1334 C 16 H 5 A 0.550 149.050 20 134.5 26.4 1.940E-04 3322734570.51562 323.80 170.7 170.7 29.690 178.740 154.086 -66.2 250.9 156.2 320 1334 C 16 H 5 A 0.600 149.100 20 135.9 29.2 1.673E-04 3322734575.84375 323.80 172.1 172.1 29.690 178.790 154.129 -65.1 246.4 155.1 320 1334 C 16 H 5 A 0.650 149.150 20 140.7 30.2 1.597E-04 3322734581.17187 323.80 176.9 176.9 29.690 178.840 154.172 -65.6 235.2 155.6 320 1334 C 16 H 5 A 0.700 149.200 20 142.1 30.2 1.820E-04 3322734586.48437 323.80 178.3 178.3 29.690 178.890 154.216 -65.7 232.0 155.7 320 1334 C 16 H 5 A 0.750 149.250 20 153.2 33.8 2.172E-04 3322734591.81250 323.80 189.4 189.4 29.690 178.940 154.259 -61.9 208.8 151.9 320 1334 C 16 H 5 A 0.800 149.300 20 172.5 43.6 2.047E-04 3322734597.14062 323.80 208.7 208.7 29.690 178.990 154.302 -46.4 189.1 136.4 320 1334 C 16 H 5 A 0.850 149.350 20 150.6 41.4 1.844E-04 3322734602.46875 323.80 186.8 186.8 29.690 179.040 154.345 -57.5 216.4 147.5 320 1334 C 16 H 5 A 0.900 149.400 20 146.8 38.5 1.827E-04 3322734607.79687 323.80 183.0 183.0 29.690 179.090 154.388 -60.2 222.4 150.2 320 1334 C 16 H 5 A 0.950 149.450 20 154.0 38.2 1.938E-04 3322734613.12500 323.80 190.2 190.2 29.690 179.140 154.431 -58.9 209.4 148.9 320 1334 C 16 H 5 A 1.000 149.500 20 152.6 28.0 2.141E-04 3322734618.43750 323.80 188.8 188.8 29.690 179.190 154.474 -65.5 207.1 155.5 320 1334 C 16 H 5 A 1.050 149.550 20 143.0 19.1 2.256E-04 3322734623.76562 323.80 179.2 179.2 29.690 179.240 154.517 -72.2 230.6 162.2 320 1334 C 16 H 5 A 1.100 149.600 20 141.7 22.7 2.068E-04 3322734629.09375 323.80 177.9 177.9 29.690 179.290 154.560 -70.1 234.1 160.1 320 1334 C 16 H 5 A 1.150 149.650 20 145.2 28.3 1.570E-04 3322734634.40625 323.80 181.4 181.4 29.690 179.340 154.603 -66.9 224.6 156.9 320 1334 C 16 H 5 A 1.200 149.700 20 148.1 36.6 1.447E-04 3322734639.73437 323.80 184.3 184.3 29.690 179.390 154.647 -61.3 219.6 151.3 320 1334 C 16 H 5 A 1.250 149.750 20 153.9 37.2 1.786E-04 3322734645.06250 323.80 190.1 190.1 29.690 179.440 154.690 -59.6 209.2 149.6 320 1334 C 16 H 5 A 1.300 149.800 20 148.5 26.2 2.325E-04 3322734650.39062 323.80 184.7 184.7 29.690 179.490 154.733 -67.7 215.9 157.7 320 1334 C 16 H 5 A 1.350 149.850 20 144.3 16.6 2.773E-04 3322734655.71875 323.80 180.5 180.5 29.690 179.540 154.776 -73.5 226.3 163.5 320 1334 C 16 H 5 A 1.400 149.900 20 144.7 17.4 2.357E-04 3322734661.04687 323.80 180.9 180.9 29.690 179.590 154.819 -73.1 225.0 163.1 320 1334 C 16 H 6 A 0.100 150.100 20 142.8 52.2 7.322E-05 3322735285.40625 323.80 179.0 179.0 29.690 179.790 154.991 -49.2 229.3 139.2 320 1334 C 16 H 6 A 0.150 150.150 20 130.4 62.8 7.534E-05 3322735290.73437 323.80 166.6 166.6 29.690 179.840 155.034 -36.4 239.9 126.4 320 1334 C 16 H 6 A 0.200 150.200 20 114.1 64.6 8.987E-05 3322735296.06250 323.80 150.3 150.3 29.690 179.890 155.078 -29.4 251.1 119.4 320 1334 C 16 H 6 A 0.250 150.250 20 180.0 74.5 9.583E-05 3322735301.37500 323.80 216.2 216.2 29.690 179.940 155.121 -15.4 210.7 105.4 320 1334 C 16 H 6 A 0.300 150.300 20 191.1 56.8 1.181E-04 3322735306.70312 323.80 227.3 227.3 29.690 179.990 155.164 -26.7 187.2 116.7 320 1334 C 16 H 6 A 0.350 150.350 20 149.5 55.1 1.062E-04 3322735312.03125 323.80 185.7 185.7 29.690 180.040 155.207 -46.0 221.4 136.0 320 1334 C 16 H 6 A 0.400 150.400 20 141.2 60.7 9.085E-05 3322735317.35937 323.80 177.4 177.4 29.690 180.090 155.250 -40.2 230.6 130.2 320 1334 C 16 H 6 A 0.450 150.450 20 150.2 44.7 1.184E-04 3322735322.67187 323.80 186.4 186.4 29.690 180.140 155.293 -55.1 218.0 145.1 320 1334 C 16 H 6 A 0.500 150.500 20 149.3 42.7 1.170E-04 3322735328.00000 323.80 185.5 185.5 29.690 180.190 155.336 -56.8 218.9 146.8 320 1334 C 16 H 6 A 0.550 150.550 20 142.1 52.8 9.710E-05 3322735333.32812 323.80 178.3 178.3 29.690 180.240 155.379 -48.6 230.2 138.6 320 1334 C 16 H 6 A 0.600 150.600 20 139.9 36.0 1.181E-04 3322735338.65625 323.80 176.1 176.1 29.690 180.290 155.422 -61.8 235.8 151.8 320 1334 C 16 H 6 A 0.650 150.650 20 149.5 35.2 1.079E-04 3322735343.98437 323.80 185.7 185.7 29.690 180.340 155.466 -62.0 216.5 152.0 320 1334 C 16 H 6 A 0.700 150.700 20 148.7 42.8 8.705E-05 3322735349.29687 323.80 184.9 184.9 29.690 180.390 155.509 -56.8 219.9 146.8 320 1334 C 16 H 6 A 0.750 150.750 20 157.3 84.6 7.151E-05 3322735354.62500 323.80 193.5 193.5 29.690 180.440 155.552 -2.4 225.5 92.4 320 1334 C 16 H 6 A 0.800 150.800 20 64.0 66.3 7.072E-05 3322735359.95312 323.80 100.2 100.2 29.690 180.490 155.595 -0.6 268.5 90.6 320 1334 C 16 H 6 A 0.850 150.850 20 132.0 64.7 6.650E-05 3322735365.28125 323.80 168.2 168.2 29.690 180.540 155.638 -34.4 237.8 124.4 320 1334 C 16 H 6 A 0.900 150.900 20 84.0 68.2 7.184E-05 3322735370.60937 323.80 120.2 120.2 29.690 180.590 155.681 -11.7 261.5 101.7 320 1334 C 16 H 7 A 0.100 151.100 20 174.5 43.9 9.024E-05 3322736199.59375 323.80 210.7 210.7 29.690 180.790 155.853 -45.0 187.5 135.0 320 1334 C 16 H 7 A 0.150 151.150 20 149.0 30.1 1.251E-04 3322736204.92187 323.80 185.2 185.2 29.690 180.840 155.897 -65.3 216.0 155.3 320 1334 C 16 H 7 A 0.200 151.200 20 153.4 24.4 1.620E-04 3322736210.23437 323.80 189.6 189.6 29.690 180.890 155.940 -67.1 203.3 157.1 320 1334 C 16 H 7 A 0.250 151.250 20 160.1 22.4 1.911E-04 3322736215.56250 323.80 196.3 196.3 29.690 180.940 155.983 -64.5 188.3 154.5 320 1334 C 16 H 7 A 0.300 151.300 20 157.1 17.8 2.079E-04 3322736220.89062 323.80 193.3 193.3 29.690 180.990 156.026 -68.4 190.0 158.4 320 1334 C 16 H 7 A 0.350 151.350 20 147.3 16.7 1.992E-04 3322736226.20312 323.80 183.5 183.5 29.690 181.040 156.069 -73.1 216.0 163.1 320 1334 C 16 H 7 A 0.400 151.400 20 154.0 25.0 1.679E-04 3322736231.53125 323.80 190.2 190.2 29.690 181.090 156.112 -66.6 202.3 156.6 320 1334 C 16 H 7 A 0.450 151.450 20 188.2 42.7 1.117E-04 3322736236.85937 323.80 224.4 224.4 29.690 181.140 156.155 -35.7 176.5 125.7 320 1334 C 16 H 7 A 0.500 151.500 20 273.4 18.3 1.005E-04 3322736242.18750 323.80 309.6 -50.4 29.690 181.190 156.198 40.2 143.6 49.8 320 1334 C 16 H 7 A 0.550 151.550 20 2.6 -41.7 9.134E-05 3322736247.51562 323.80 38.8 38.8 29.690 181.240 156.241 40.4 359.3 49.6 320 1334 C 16 H 7 A 0.600 151.600 20 69.4 -9.2 1.602E-04 3322736252.84375 323.80 105.6 105.6 29.690 181.290 156.284 -16.1 320.6 106.1 320 1334 C 17 H 2 A 0.100 153.600 20 239.5 24.6 1.139E-04 3322737229.92187 57.60 181.9 181.9 30.350 183.950 158.578 -69.0 222.9 159.0 320 1334 C 17 H 2 A 0.150 153.650 20 82.5 44.3 1.625E-04 3322737235.25000 57.60 24.9 24.9 30.350 184.000 158.621 60.3 277.7 29.7 320 1334 C 17 H 2 A 0.200 153.700 20 146.7 67.4 1.543E-04 3322737240.57812 57.60 89.1 89.1 30.350 184.050 158.664 6.7 268.1 83.3 320 1334 C 17 H 2 A 0.250 153.750 20 226.9 49.6 1.674E-04 3322737245.90625 57.60 169.3 169.3 30.350 184.100 158.707 -50.2 242.5 140.2 320 1334 C 17 H 2 A 0.300 153.800 20 236.6 39.7 2.227E-04 3322737251.23437 57.60 179.0 179.0 30.350 184.150 158.750 -59.4 229.8 149.4 320 1334 C 17 H 2 A 0.350 153.850 20 227.7 27.3 2.031E-04 3322737256.54687 57.60 170.1 170.1 30.350 184.200 158.793 -65.5 251.7 155.5 320 1334 C 17 H 2 A 0.400 153.900 20 209.5 28.0 1.655E-04 3322737261.87500 57.60 151.9 151.9 30.350 184.250 158.836 -54.0 278.7 144.0 320 1334 C 17 H 2 A 0.450 153.950 20 263.6 26.1 2.321E-04 3322737267.20312 57.60 206.0 206.0 30.350 184.300 158.879 -56.2 178.0 146.2 320 1334 C 17 H 2 A 0.500 154.000 20 345.5 -10.0 2.400E-04 3322737272.53125 57.60 287.9 -72.1 30.350 184.350 158.922 16.9 130.2 73.1 320 1334 C 17 H 2 A 0.550 154.050 20 24.4 8.1 1.431E-04 3322737277.85937 57.60 326.8 -33.2 30.350 184.400 158.966 56.8 133.2 33.2 320 1334 C 17 H 2 A 0.600 154.100 20 207.7 55.8 9.271E-05 3322737283.17187 57.60 150.1 150.1 30.350 184.450 159.009 -37.5 258.4 127.5 320 1334 C 17 H 2 A 0.650 154.150 20 205.6 30.0 1.436E-04 3322737288.50000 57.60 148.0 148.0 30.350 184.500 159.052 -50.2 280.7 140.2 320 1334 C 17 H 2 A 0.700 154.200 20 238.7 23.0 1.289E-04 3322737293.82812 57.60 181.1 181.1 30.350 184.550 159.095 -70.0 224.9 160.0 320 1334 C 17 H 2 A 0.750 154.250 20 247.3 29.4 1.744E-04 3322737299.15625 57.60 189.7 189.7 30.350 184.600 159.138 -64.4 206.0 154.4 320 1334 C 17 H 2 A 0.800 154.300 20 225.0 24.9 1.987E-04 3322737304.48437 57.60 167.4 167.4 30.350 184.650 159.181 -65.5 258.9 155.5 320 1334 C 17 H 2 A 0.850 154.350 20 217.7 20.5 1.663E-04 3322737309.79687 57.60 160.1 160.1 30.350 184.700 159.224 -62.8 275.2 152.8 320 1334 C 17 H 2 A 0.900 154.400 20 220.5 26.2 1.119E-04 3322737315.12500 57.60 162.9 162.9 30.350 184.750 159.267 -62.4 266.0 152.4 320 1334 C 17 H 2 A 0.950 154.450 20 244.8 49.9 7.225E-05 3322737320.45312 57.60 187.2 187.2 30.350 184.800 159.310 -50.7 218.2 140.7 320 1334 C 17 H 2 A 1.000 154.500 20 246.8 44.9 1.023E-04 3322737325.78125 57.60 189.2 189.2 30.350 184.850 159.353 -54.4 213.8 144.4 320 1334 C 17 H 2 A 1.050 154.550 20 189.3 21.6 1.527E-04 3322737331.10937 57.60 131.7 131.7 30.350 184.900 159.397 -38.3 296.9 128.3 320 1334 C 17 H 2 A 1.100 154.600 20 252.8 16.2 1.247E-04 3322737336.42187 57.60 195.2 195.2 30.350 184.950 159.440 -67.8 184.7 157.8 320 1334 C 17 H 2 A 1.150 154.650 20 285.7 2.7 1.710E-04 3322737341.75000 57.60 228.1 228.1 30.350 185.000 159.483 -41.1 146.9 131.1 320 1334 C 17 H 2 A 1.200 154.700 20 209.2 10.1 1.259E-04 3322737347.07812 57.60 151.6 151.6 30.350 185.050 159.526 -58.8 294.1 148.8 320 1334 C 17 H 2 A 1.250 154.750 20 199.7 6.0 1.589E-04 3322737352.40625 57.60 142.1 142.1 30.350 185.100 159.569 -50.6 303.3 140.6 320 1334 C 17 H 2 A 1.300 154.800 20 115.2 -19.4 3.495E-04 3322737357.73437 57.60 57.6 57.6 30.350 185.150 159.612 29.9 334.5 60.1 320 1334 C 17 H 2 A 1.350 154.850 20 50.8 -41.1 3.872E-04 3322737363.04687 57.60 353.2 -6.8 30.350 185.200 159.655 57.7 59.8 32.3 320 1334 C 17 H 2 A 1.400 154.900 20 292.3 67.8 2.295E-04 3322737368.37500 57.60 234.7 234.7 30.350 185.250 159.698 -14.7 195.8 104.7 320 1334 C 17 H 3 A 0.100 155.100 20 99.0 45.0 3.195E-05 3322739521.14062 57.60 41.4 41.4 30.350 185.450 159.871 46.6 287.5 43.4 320 1334 C 17 H 3 A 0.150 155.150 20 116.5 19.8 5.856E-05 3322739526.46875 57.60 58.9 58.9 30.350 185.500 159.914 31.9 311.0 58.1 320 1334 C 17 H 3 A 0.200 155.200 20 54.4 17.6 7.008E-05 3322739531.79687 57.60 356.8 -3.2 30.350 185.550 159.957 86.7 156.0 3.3 320 1334 C 17 H 3 A 0.250 155.250 20 32.3 22.6 1.410E-04 3322739537.12500 57.60 334.7 -25.3 30.350 185.600 160.000 64.8 148.7 25.2 320 1334 C 17 H 3 A 0.300 155.300 20 6.5 20.7 2.053E-04 3322739542.45312 57.60 308.9 -51.1 30.350 185.650 160.043 39.6 145.3 50.4 320 1334 C 17 H 3 A 0.350 155.350 20 34.2 29.5 1.607E-04 3322739547.76562 57.60 336.6 -23.4 30.350 185.700 160.086 65.8 159.0 24.2 320 1334 C 17 H 3 A 0.400 155.400 20 48.9 33.4 1.019E-04 3322739553.09375 57.60 351.3 -8.7 30.350 185.750 160.129 76.7 189.3 13.3 320 1334 C 17 H 3 A 0.450 155.450 20 73.1 20.6 1.002E-04 3322739558.42187 57.60 15.5 15.5 30.350 185.800 160.172 74.5 307.0 15.5 320 1334 C 17 H 3 A 0.500 155.500 20 84.8 9.2 1.968E-04 3322739563.75000 57.60 27.2 27.2 30.350 185.850 160.216 62.8 323.5 27.2 320 1334 C 17 H 3 A 0.550 155.550 20 1.9 24.8 2.073E-04 3322739569.07812 57.60 304.3 -55.7 30.350 185.900 160.259 35.1 148.3 54.9 320 1334 C 17 H 3 A 0.600 155.600 20 295.9 18.4 7.177E-04 3322739574.40625 57.60 238.3 238.3 30.350 185.950 160.302 -29.4 153.6 119.4 320 1334 C 17 H 3 A 0.650 155.650 20 304.7 37.1 1.953E-04 3322739579.71875 57.60 247.1 247.1 30.350 186.000 160.345 -18.1 163.0 108.1 320 1334 C 17 H 3 A 0.700 155.700 20 49.1 15.8 1.467E-04 3322739585.04687 57.60 351.5 -8.5 30.350 186.050 160.388 81.6 139.0 8.4 320 1334 C 17 H 3 A 0.750 155.750 20 54.3 11.1 2.084E-04 3322739590.37500 57.60 356.7 -3.3 30.350 186.100 160.431 85.9 102.0 4.1 320 1334 C 17 H 3 A 0.800 155.800 20 59.2 26.2 1.346E-04 3322739595.70312 57.60 1.6 1.6 30.350 186.150 160.474 84.0 243.0 6.0 320 1334 C 17 H 3 A 0.850 155.850 20 36.9 35.5 1.119E-04 3322739601.01562 57.60 339.3 -20.7 30.350 186.200 160.517 66.8 170.3 23.2 320 1334 C 17 H 3 A 0.900 155.900 20 64.9 40.9 9.690E-05 3322739606.34375 57.60 7.3 7.3 30.350 186.250 160.560 73.1 251.6 16.9 320 1334 C 17 H 3 A 0.950 155.950 20 237.7 69.3 7.425E-05 3322739611.67187 57.60 180.1 180.1 30.350 186.300 160.603 -29.1 228.0 119.1 320 1334 C 17 H 3 A 1.000 156.000 20 351.1 68.6 5.541E-05 3322739617.00000 57.60 293.5 -66.5 30.350 186.350 160.647 20.7 190.8 69.3 320 1334 C 17 H 3 A 1.050 156.050 20 44.6 16.0 1.452E-04 3322739622.32812 57.60 347.0 -13.0 30.350 186.400 160.690 77.1 139.7 12.9 320 1334 C 17 H 3 A 1.100 156.100 20 54.3 22.9 1.692E-04 3322739627.65625 57.60 356.7 -3.3 30.350 186.450 160.733 84.9 188.7 5.1 320 1334 C 17 H 3 A 1.150 156.150 20 40.0 41.1 1.276E-04 3322739632.96875 57.60 342.4 -17.6 30.350 186.500 160.776 67.1 182.7 23.0 320 1334 C 17 H 3 A 1.200 156.200 20 330.1 71.7 1.621E-04 3322739638.29687 57.60 272.5 -87.5 30.350 186.550 160.819 8.0 194.2 82.0 320 1334 C 17 H 3 A 1.250 156.250 20 258.9 78.5 2.672E-04 3322739643.62500 57.60 201.3 201.3 30.350 186.600 160.862 -12.6 220.0 102.6 320 1334 C 17 H 3 A 1.300 156.300 20 87.8 33.1 1.904E-04 3322739648.95312 57.60 30.2 30.2 30.350 186.650 160.905 59.0 296.1 31.0 320 1334 C 17 H 3 A 1.350 156.350 20 67.7 10.3 1.301E-04 3322739654.28125 57.60 10.1 10.1 30.350 186.700 160.948 79.6 333.0 10.4 320 1334 C 17 H 3 A 1.400 156.400 20 82.7 4.3 1.238E-04 3322739659.59375 57.60 25.1 25.1 30.350 186.750 160.991 64.3 329.9 25.7 320 1334 C 17 H 4 A 0.100 156.600 20 9.7 23.4 1.851E-04 3322740595.76562 57.60 312.1 -47.9 30.350 186.950 161.164 42.7 147.3 47.3 320 1334 C 17 H 4 A 0.150 156.650 20 60.0 23.9 1.172E-04 3322740601.09375 57.60 2.4 2.4 30.350 187.000 161.207 84.9 255.6 5.1 320 1334 C 17 H 4 A 0.200 156.700 20 52.8 19.7 1.323E-04 3322740606.40625 57.60 355.2 -4.8 30.350 187.050 161.250 84.8 162.8 5.2 320 1334 C 17 H 4 A 0.250 156.750 20 52.9 21.6 1.162E-04 3322740611.73437 57.60 355.3 -4.7 30.350 187.100 161.293 84.4 173.0 5.6 320 1334 C 17 H 4 A 0.300 156.800 20 46.0 26.3 9.354E-05 3322740617.06250 57.60 348.4 -11.6 30.350 187.150 161.336 77.2 166.4 12.8 320 1334 C 17 H 4 A 0.350 156.850 20 21.8 62.2 6.294E-05 3322740622.39062 57.60 324.2 -35.8 30.350 187.200 161.379 42.7 192.7 47.3 320 1334 C 17 H 4 A 0.400 156.900 20 2.3 59.9 8.402E-05 3322740627.71875 57.60 304.7 -55.3 30.350 187.250 161.422 31.2 181.3 58.8 320 1334 C 17 H 4 A 0.450 156.950 20 57.3 38.2 8.429E-05 3322740633.04687 57.60 359.7 -0.3 30.350 187.300 161.466 76.5 226.8 13.5 320 1334 C 17 H 4 A 0.500 157.000 20 225.6 28.5 6.454E-05 3322740638.37500 57.60 168.0 168.0 30.350 187.350 161.509 -63.9 255.2 153.9 320 1334 C 17 H 4 A 0.550 157.050 20 205.3 5.9 8.098E-05 3322740643.68750 57.60 147.7 147.7 30.350 187.400 161.552 -56.0 300.5 146.0 320 1334 C 17 H 4 A 0.600 157.100 20 51.0 -12.0 6.326E-05 3322740649.01562 57.60 353.4 -6.6 30.350 187.450 161.595 74.5 73.3 15.5 320 1334 C 17 H 4 A 0.650 157.150 20 46.0 0.6 1.687E-04 3322740654.34375 57.60 348.4 -11.6 30.350 187.500 161.638 76.1 104.9 13.9 320 1334 C 17 H 4 A 0.700 157.200 20 52.1 34.4 1.227E-04 3322740659.67187 57.60 354.5 -5.5 30.350 187.550 161.681 77.9 202.5 12.1 320 1334 C 17 H 4 A 0.750 157.250 20 51.0 41.0 1.281E-04 3322740664.98437 57.60 353.4 -6.6 30.350 187.600 161.724 73.3 206.6 16.7 320 1334 C 17 H 4 A 0.800 157.300 20 16.1 32.1 1.137E-04 3322740670.31250 57.60 318.5 -41.5 30.350 187.650 161.767 48.5 155.3 41.5 320 1334 C 17 H 4 A 0.850 157.350 20 19.9 18.1 5.980E-05 3322740675.64062 57.60 322.3 -37.7 30.350 187.700 161.810 52.7 142.9 37.3 320 1334 C 17 H 4 A 0.900 157.400 20 44.5 50.8 4.518E-05 3322740680.96875 57.60 346.9 -13.1 30.350 187.750 161.853 63.5 202.4 26.5 320 1334 C 17 H 4 A 0.950 157.450 20 132.0 1.0 5.619E-05 3322740686.28125 57.60 74.4 74.4 30.350 187.800 161.897 15.5 319.7 74.5 320 1334 C 17 H 4 A 1.000 157.500 20 101.5 -33.7 3.134E-04 3322740691.60937 57.60 43.9 43.9 30.350 187.850 161.940 39.3 349.9 50.7 320 1334 C 17 H 4 A 1.050 157.550 20 353.2 -18.0 5.566E-04 3322740696.93750 57.60 295.6 -64.4 30.350 187.900 161.983 23.6 124.3 66.4 320 1334 C 17 H 4 A 1.100 157.600 20 347.5 -3.2 1.899E-04 3322740702.26562 57.60 289.9 -70.1 30.350 187.950 162.026 19.5 133.5 70.6 320 1334 C 17 H 4 A 1.150 157.650 20 149.0 31.8 7.908E-05 3322740707.59375 57.60 91.4 91.4 30.350 188.000 162.069 1.0 300.8 89.0 320 1334 C 17 H 4 A 1.200 157.700 20 69.9 18.6 6.920E-05 3322740712.92187 57.60 12.3 12.3 30.350 188.050 162.112 77.8 309.8 12.3 320 1334 C 17 H 4 A 1.250 157.750 20 62.0 -4.5 1.196E-04 3322740718.23437 57.60 4.4 4.4 30.350 188.100 162.155 78.9 24.7 11.2 320 1334 C 17 H 4 A 1.300 157.800 20 59.6 -0.9 3.370E-05 3322740723.56250 57.60 2.0 2.0 30.350 188.150 162.198 81.3 34.7 8.7 320 1334 C 17 H 4 A 1.350 157.850 20 58.6 11.0 8.133E-05 3322740728.89062 57.60 1.0 1.0 30.350 188.200 162.241 87.4 25.9 2.6 320 1334 C 17 H 4 A 1.400 157.900 20 28.5 18.0 5.364E-05 3322740734.21875 57.60 330.9 -29.1 30.350 188.250 162.284 61.2 142.6 28.8 320 1334 C 17 H 5 A 0.100 158.100 20 51.0 15.9 7.375E-05 3322741878.93750 57.60 353.4 -6.6 30.350 188.450 162.457 83.5 139.4 6.5 320 1334 C 17 H 5 A 0.150 158.150 20 40.5 21.0 5.728E-05 3322741884.26562 57.60 342.9 -17.1 30.350 188.500 162.500 72.9 149.0 17.1 320 1334 C 17 H 5 A 0.200 158.200 20 67.9 19.8 6.634E-05 3322741889.59375 57.60 10.3 10.3 30.350 188.550 162.543 79.6 305.0 10.4 320 1334 C 17 H 5 A 0.250 158.250 20 69.5 18.9 7.486E-05 3322741894.90625 57.60 11.9 11.9 30.350 188.600 162.586 78.1 308.8 11.9 320 1334 C 17 H 5 A 0.300 158.300 20 73.0 30.4 7.870E-05 3322741900.23437 57.60 15.4 15.4 30.350 188.650 162.629 72.8 287.5 17.2 320 1334 C 17 H 5 A 0.350 158.350 20 41.5 27.8 9.684E-05 3322741905.56250 57.60 343.9 -16.1 30.350 188.700 162.672 72.8 162.7 17.2 320 1334 C 17 H 5 A 0.400 158.400 20 32.3 26.8 9.556E-05 3322741910.89062 57.60 334.7 -25.3 30.350 188.750 162.716 64.4 154.2 25.6 320 1334 C 17 H 5 A 0.450 158.450 20 68.2 18.7 6.583E-05 3322741916.21875 57.60 10.6 10.6 30.350 188.800 162.759 79.4 308.5 10.6 320 1334 C 17 H 5 A 0.500 158.500 20 83.0 15.9 7.360E-05 3322741921.53125 57.60 25.4 25.4 30.350 188.850 162.802 64.9 316.0 25.2 320 1334 C 17 H 5 A 0.550 158.550 20 66.4 18.4 7.448E-05 3322741926.85937 57.60 8.8 8.8 30.350 188.900 162.845 81.2 308.0 8.8 320 1334 C 17 H 5 A 0.600 158.600 20 70.7 10.8 7.926E-05 3322741932.18750 57.60 13.1 13.1 30.350 188.950 162.888 76.7 328.3 13.3 320 1334 C 17 H 5 A 0.650 158.650 20 77.7 11.5 6.725E-05 3322741937.51562 57.60 20.1 20.1 30.350 189.000 162.931 69.9 323.0 20.1 320 1334 C 17 H 5 A 0.700 158.700 20 52.3 9.6 7.532E-05 3322741942.84375 57.60 354.7 -5.3 30.350 189.050 162.974 83.9 107.3 6.1 320 1334 C 17 H 5 A 0.750 158.750 20 51.6 6.2 9.705E-05 3322741948.17187 57.60 354.0 -6.0 30.350 189.100 163.017 82.3 99.0 7.7 320 1334 C 17 H 5 A 0.800 158.800 20 78.1 6.9 9.629E-05 3322741953.48437 57.60 20.5 20.5 30.350 189.150 163.060 69.1 329.4 20.9 320 1334 C 17 H 5 A 0.850 158.850 20 63.7 13.0 1.061E-04 3322741958.81250 57.60 6.1 6.1 30.350 189.200 163.103 83.8 330.8 6.2 320 1334 C 17 H 5 A 0.900 158.900 20 59.3 14.2 1.330E-04 3322741964.14062 57.60 1.7 1.7 30.350 189.250 163.147 88.1 343.0 1.9 320 1334 C 17 H 5 A 0.950 158.950 20 48.8 26.1 1.539E-04 3322741969.46875 57.60 351.2 -8.8 30.350 189.300 163.190 79.6 172.5 10.4 320 1334 C 17 H 5 A 1.000 159.000 20 314.1 52.5 6.310E-05 3322741974.78125 57.60 256.5 256.5 30.350 189.350 163.233 -6.8 172.9 96.8 320 1334 C 17 H 5 A 1.050 159.050 20 296.8 9.9 9.397E-05 3322741980.10937 57.60 239.2 239.2 30.350 189.400 163.276 -29.5 148.4 119.5 320 1334 C 17 H 5 A 1.100 159.100 20 4.9 24.7 4.029E-05 3322741985.43750 57.60 307.3 -52.7 30.350 189.450 163.319 38.0 148.3 52.0 320 1334 C 17 H 5 A 1.150 159.150 20 163.2 -16.0 6.704E-05 3322741990.76562 57.60 105.6 105.6 30.350 189.500 163.362 -16.5 324.2 106.5 320 1334 C 17 H 5 A 1.200 159.200 20 254.0 -71.6 9.822E-05 3322741996.09375 57.60 196.4 196.4 30.350 189.550 163.405 -40.0 59.8 130.0 320 1334 C 17 H 5 A 1.250 159.250 20 9.0 -20.5 1.087E-04 3322742001.40625 57.60 311.4 -48.6 30.350 189.600 163.448 38.2 117.8 51.8 320 1334 C 17 H 5 A 1.300 159.300 20 102.6 39.2 2.625E-05 3322742006.73437 57.60 45.0 45.0 30.350 189.650 163.491 44.5 294.7 45.5 320 1334 C 17 H 5 A 1.350 159.350 20 201.4 72.1 2.920E-05 3322742012.06250 57.60 143.8 143.8 30.350 189.700 163.534 -18.5 247.8 108.5 320 1334 C 17 H 5 A 1.400 159.400 20 11.3 51.5 4.212E-05 3322742017.37500 57.60 313.7 -46.3 30.350 189.750 163.578 40.8 174.1 49.2 320 1334 C 17 H 6 A 0.100 159.600 20 35.3 46.0 3.516E-05 3322742690.20312 57.60 337.7 -22.3 30.350 189.950 163.750 61.4 183.4 28.7 320 1334 C 17 H 6 A 0.150 159.650 20 269.1 58.7 2.765E-05 3322742695.53125 57.60 211.5 211.5 30.350 190.000 163.793 -34.3 198.8 124.3 320 1334 C 17 H 6 A 0.200 159.700 20 261.9 22.9 6.340E-05 3322742700.84375 57.60 204.3 204.3 30.350 190.050 163.836 -58.7 177.3 148.7 320 1334 C 17 H 6 A 0.250 159.750 20 242.6 17.0 8.185E-05 3322742706.17187 57.60 185.0 185.0 30.350 190.100 163.879 -72.6 211.3 162.6 320 1334 C 17 H 6 A 0.300 159.800 20 277.7 39.2 6.893E-05 3322742711.50000 57.60 220.1 220.1 30.350 190.150 163.922 -40.5 176.4 130.5 320 1334 C 17 H 6 A 0.350 159.850 20 277.9 57.7 7.309E-05 3322742716.82812 57.60 220.3 220.3 30.350 190.200 163.966 -30.4 192.0 120.4 320 1334 C 17 H 6 A 0.400 159.900 20 261.9 31.9 1.044E-04 3322742722.14062 57.60 204.3 204.3 30.350 190.250 164.009 -55.1 184.6 145.1 320 1334 C 17 H 6 A 0.450 159.950 20 266.0 35.1 7.398E-05 3322742727.46875 57.60 208.4 208.4 30.350 190.300 164.052 -50.9 182.7 140.9 320 1334 C 17 H 6 A 0.500 160.000 20 282.6 40.5 5.453E-05 3322742732.79687 57.60 225.0 225.0 30.350 190.350 164.095 -36.1 174.4 126.1 320 1334 C 17 H 6 A 0.550 160.050 20 258.6 43.4 5.982E-05 3322742738.12500 57.60 201.0 201.0 30.350 190.400 164.138 -50.9 197.1 140.9 320 1334 C 17 H 6 A 0.600 160.100 20 268.0 34.2 6.479E-05 3322742743.45312 57.60 210.4 210.4 30.350 190.450 164.181 -49.8 180.1 139.8 320 1334 C 17 H 6 A 0.650 160.150 20 269.9 30.8 6.392E-05 3322742748.76562 57.60 212.3 212.3 30.350 190.500 164.224 -49.7 175.7 139.7 320 1334 C 17 H 6 A 0.700 160.200 20 283.1 34.0 7.357E-05 3322742754.09375 57.60 225.5 225.5 30.350 190.550 164.267 -37.8 169.2 127.8 320 1334 C 17 H 6 A 0.750 160.250 20 288.1 63.5 5.576E-05 3322742759.42187 57.60 230.5 230.5 30.350 190.600 164.310 -20.3 192.5 110.3 320 1334 C 17 H 6 A 0.800 160.300 20 279.0 37.2 7.647E-05 3322742764.75000 57.60 221.4 221.4 30.350 190.650 164.353 -40.2 174.0 130.2 320 1334 C 17 H 6 A 0.850 160.350 20 290.0 43.1 6.942E-05 3322742770.07812 57.60 232.4 232.4 30.350 190.700 164.397 -29.2 172.7 119.2 320 1334 C 17 H 6 A 0.900 160.400 20 288.8 41.0 5.685E-05 3322742775.39062 57.60 231.2 231.2 30.350 190.750 164.440 -30.9 171.6 120.9 320 1334 C 17 H 6 A 0.950 160.450 20 248.7 25.0 9.349E-05 3322742780.71875 57.60 191.1 191.1 30.350 190.800 164.483 -66.2 200.4 156.2 320 1334 C 17 H 6 A 1.000 160.500 20 241.0 33.7 8.284E-05 3322742786.04687 57.60 183.4 183.4 30.350 190.850 164.526 -63.4 220.8 153.4 320 1334 C 17 H 6 A 1.050 160.550 20 272.1 43.8 6.996E-05 3322742791.37500 57.60 214.5 214.5 30.350 190.900 164.569 -42.5 184.2 132.5 320 1334 C 17 H 6 A 1.100 160.600 20 296.0 78.0 5.119E-05 3322742796.70312 57.60 238.4 238.4 30.350 190.950 164.612 -4.3 208.5 94.3 320 1334 C 17 H 6 A 1.150 160.650 20 65.2 43.5 5.427E-05 3322742802.03125 57.60 7.6 7.6 30.350 191.000 164.655 71.2 249.8 18.8 320 1334 C 17 H 6 A 1.200 160.700 20 67.2 19.2 8.882E-05 3322742807.34375 57.60 9.6 9.6 30.350 191.050 164.698 80.3 306.1 9.7 320 1334 C 17 H 6 A 1.250 160.750 20 69.7 24.1 7.199E-05 3322742812.67187 57.60 12.1 12.1 30.350 191.100 164.741 77.2 295.9 12.8 320 1334 C 17 H 6 A 1.300 160.800 20 73.4 24.3 7.058E-05 3322742818.00000 57.60 15.8 15.8 30.350 191.150 164.784 73.8 299.8 16.2 320 1334 C 17 H 6 A 1.350 160.850 20 58.4 17.9 9.638E-05 3322742823.32812 57.60 0.8 0.8 30.350 191.200 164.828 88.6 261.9 1.4 320 1334 C 17 H 6 A 1.400 160.900 20 62.6 12.9 1.037E-04 3322742828.65625 57.60 5.0 5.0 30.350 191.250 164.871 84.8 334.2 5.2 320 1334 C 17 H 7 A 0.100 161.100 20 59.6 21.2 1.314E-04 3322743569.85937 57.60 2.0 2.0 30.350 191.450 165.043 86.4 261.4 3.6 320 1334 C 17 H 7 A 0.150 161.150 20 90.2 21.4 1.242E-04 3322743575.17187 57.60 32.6 32.6 30.350 191.500 165.086 57.7 309.9 32.3 320 1334 C 17 H 7 A 0.200 161.200 20 69.9 14.6 9.059E-05 3322743580.50000 57.60 12.3 12.3 30.350 191.550 165.129 77.8 319.9 12.2 320 1334 C 17 H 7 A 0.250 161.250 20 63.2 23.4 7.195E-05 3322743585.82812 57.60 5.6 5.6 30.350 191.600 165.172 83.1 280.2 6.9 320 1334 C 18 H 1 A 0.150 161.650 20 224.6 30.2 4.184E-05 3322744426.29687 156.60 68.0 68.0 31.440 193.090 166.457 23.3 303.7 66.7 320 1334 C 18 H 1 A 0.200 161.700 20 117.0 40.7 2.898E-05 3322744431.62500 156.60 320.4 -39.6 31.440 193.140 166.500 49.1 164.6 40.9 320 1334 C 18 H 1 A 0.250 161.750 20 145.6 64.9 1.775E-05 3322744436.95312 156.60 349.0 -11.0 31.440 193.190 166.543 50.0 216.3 40.0 320 1334 C 18 H 1 A 0.300 161.800 20 146.0 36.3 5.413E-05 3322744442.28125 156.60 349.4 -10.6 31.440 193.240 166.586 74.1 189.0 15.9 320 1334 C 18 H 1 A 0.350 161.850 20 127.6 42.5 6.113E-05 3322744447.60937 156.60 331.0 -29.0 31.440 193.290 166.629 57.7 172.4 32.3 320 1334 C 18 H 1 A 0.400 161.900 20 187.8 46.1 7.967E-05 3322744452.92187 156.60 31.2 31.2 31.440 193.340 166.672 54.7 280.7 35.3 320 1334 C 18 H 1 A 0.450 161.950 20 262.1 21.0 7.523E-05 3322744458.25000 156.60 105.5 105.5 31.440 193.390 166.716 -13.5 304.8 103.5 320 1334 C 18 H 1 A 0.500 162.000 20 253.3 17.6 5.398E-05 3322744463.57812 156.60 96.7 96.7 31.440 193.440 166.759 -5.3 308.1 95.3 320 1334 C 18 H 1 A 0.550 162.050 20 273.0 36.5 4.582E-05 3322744468.90625 156.60 116.4 116.4 31.440 193.490 166.802 -21.4 292.5 111.4 320 1334 C 18 H 1 A 0.600 162.100 20 29.1 41.4 1.289E-04 3322744474.21875 156.60 232.5 232.5 31.440 193.540 166.845 -29.7 171.3 119.7 320 1334 C 18 H 1 A 0.650 162.150 20 334.3 65.7 1.941E-04 3322744479.54687 156.60 177.7 177.7 31.440 193.590 166.888 -34.1 229.9 124.1 320 1334 C 18 H 1 A 0.700 162.200 20 285.1 41.8 1.683E-04 3322744484.87500 156.60 128.5 128.5 31.440 193.640 166.931 -30.4 284.0 120.4 320 1334 C 18 H 1 A 0.750 162.250 20 288.4 30.1 9.773E-05 3322744490.20312 156.60 131.8 131.8 31.440 193.690 166.974 -36.5 291.0 126.5 320 1334 C 18 H 1 A 0.800 162.300 20 286.8 36.2 3.976E-05 3322744495.53125 156.60 130.2 130.2 31.440 193.740 167.017 -33.5 287.4 123.5 320 1334 C 18 H 1 A 0.850 162.350 20 263.0 -0.9 1.805E-04 3322744500.84375 156.60 106.4 106.4 31.440 193.790 167.060 -16.3 316.2 106.3 320 1334 C 18 H 1 A 0.900 162.400 20 305.6 36.0 6.262E-05 3322744506.17187 156.60 149.0 149.0 31.440 193.840 167.103 -48.6 275.1 138.6 320 1334 C 18 H 1 A 0.950 162.450 20 44.5 29.5 1.185E-04 3322744511.50000 156.60 247.9 247.9 31.440 193.890 167.147 -18.7 157.8 108.7 320 1334 C 18 H 1 A 1.000 162.500 20 0.4 17.4 7.753E-05 3322744516.82812 156.60 203.8 203.8 31.440 193.940 167.190 -60.9 173.0 150.9 320 1334 C 18 H 1 A 1.050 162.550 20 288.5 13.8 1.021E-04 3322744522.14062 156.60 131.9 131.9 31.440 193.990 167.233 -39.8 302.0 129.8 320 1334 C 18 H 1 A 1.100 162.600 20 331.1 13.5 1.059E-04 3322744527.46875 156.60 174.5 174.5 31.440 194.040 167.276 -74.2 248.5 164.2 320 1334 C 18 H 1 A 1.150 162.650 20 23.3 17.3 8.732E-05 3322744532.79687 156.60 226.7 226.7 31.440 194.090 167.319 -40.5 157.0 130.5 320 1334 C 18 H 1 A 1.200 162.700 20 264.0 6.2 6.481E-05 3322744538.12500 156.60 107.4 107.4 31.440 194.140 167.362 -16.8 312.3 106.8 320 1334 C 18 H 1 A 1.250 162.750 20 279.5 23.2 1.272E-04 3322744543.45312 156.60 122.9 122.9 31.440 194.190 167.405 -29.8 299.1 119.8 320 1334 C 18 H 1 A 1.300 162.800 20 325.3 49.3 9.572E-05 3322744548.76562 156.60 168.7 168.7 31.440 194.240 167.448 -50.3 243.4 140.3 320 1334 C 18 H 1 A 1.350 162.850 20 333.4 32.9 1.211E-04 3322744554.09375 156.60 176.8 176.8 31.440 194.290 167.491 -63.9 235.0 153.9 320 1334 C 18 H 1 A 1.400 162.900 20 328.5 21.8 1.118E-04 3322744559.42187 156.60 171.9 171.9 31.440 194.340 167.534 -69.1 250.8 159.1 320 1334 C 18 H 2 A 0.100 163.100 20 288.9 29.6 2.451E-04 3322745541.29687 156.60 132.3 132.3 31.440 194.540 167.707 -37.1 291.1 127.1 320 1334 C 18 H 2 A 0.150 163.150 20 274.8 42.0 2.098E-04 3322745546.62500 156.60 118.2 118.2 31.440 194.590 167.750 -21.7 287.9 111.7 320 1334 C 18 H 2 A 0.200 163.200 20 345.9 36.2 1.691E-04 3322745551.95312 156.60 189.3 189.3 31.440 194.640 167.793 -60.5 210.1 150.5 320 1334 C 18 H 2 A 0.250 163.250 20 17.7 20.9 2.017E-04 3322745557.28125 156.60 221.1 221.1 31.440 194.690 167.836 -45.0 162.1 135.0 320 1334 C 18 H 2 A 0.300 163.300 20 355.4 29.8 9.238E-05 3322745562.60937 156.60 198.8 198.8 31.440 194.740 167.879 -59.6 190.2 149.6 320 1334 C 18 H 2 A 0.350 163.350 20 131.8 29.0 1.662E-04 3322745567.92187 156.60 335.2 -24.8 31.440 194.790 167.922 64.6 157.5 25.4 320 1334 C 18 H 2 A 0.400 163.400 20 143.4 18.7 3.381E-04 3322745573.25000 156.60 346.8 -13.2 31.440 194.840 167.966 76.9 146.0 13.1 320 1334 C 18 H 2 A 0.450 163.450 20 307.8 79.0 1.129E-04 3322745578.57812 156.60 151.2 151.2 31.440 194.890 168.009 -10.6 238.3 100.6 320 1334 C 18 H 2 A 0.500 163.500 20 299.6 43.4 1.339E-04 3322745583.90625 156.60 143.0 143.0 31.440 194.940 168.052 -41.0 274.1 131.0 320 1334 C 18 H 2 A 0.550 163.550 20 323.0 26.2 1.465E-04 3322745589.23437 156.60 166.4 166.4 31.440 194.990 168.095 -64.3 259.9 154.3 320 1334 C 18 H 2 A 0.600 163.600 20 321.6 27.5 1.050E-04 3322745594.54687 156.60 165.0 165.0 31.440 195.040 168.138 -63.0 261.5 153.0 320 1334 C 18 H 2 A 0.650 163.650 20 325.5 47.8 5.919E-05 3322745599.87500 156.60 168.9 168.9 31.440 195.090 168.181 -51.6 243.8 141.6 320 1334 C 18 H 2 A 0.700 163.700 20 334.5 52.1 4.248E-05 3322745605.20312 156.60 177.9 177.9 31.440 195.140 168.224 -49.2 230.7 139.2 320 1334 C 18 H 2 A 0.750 163.750 20 321.5 29.5 6.291E-05 3322745610.53125 156.60 164.9 164.9 31.440 195.190 168.267 -61.9 260.2 151.9 320 1334 C 18 H 2 A 0.800 163.800 20 331.2 33.8 6.963E-05 3322745615.85937 156.60 174.6 174.6 31.440 195.240 168.310 -63.0 239.4 153.0 320 1334 C 18 H 2 A 0.850 163.850 20 330.8 38.7 7.177E-05 3322745621.18750 156.60 174.2 174.2 31.440 195.290 168.353 -59.6 238.7 149.6 320 1334 C 18 H 2 A 0.900 163.900 20 330.2 39.0 8.710E-05 3322745626.50000 156.60 173.6 173.6 31.440 195.340 168.397 -59.3 239.7 149.3 320 1334 C 18 H 2 A 0.950 163.950 20 299.6 46.8 6.855E-05 3322745631.82812 156.60 143.0 143.0 31.440 195.390 168.440 -39.3 271.3 129.3 320 1334 C 18 H 2 A 1.000 164.000 20 268.3 38.8 7.647E-05 3322745637.15625 156.60 111.7 111.7 31.440 195.440 168.483 -16.7 292.2 106.7 320 1334 C 18 H 2 A 1.050 164.050 20 247.8 78.2 6.662E-05 3322745642.48437 156.60 91.2 91.2 31.440 195.490 168.526 6.9 250.9 83.1 320 1334 C 18 H 2 A 1.100 164.100 20 323.8 45.4 7.824E-05 3322745647.81250 156.60 167.2 167.2 31.440 195.540 168.569 -53.0 247.2 143.0 320 1334 C 18 H 2 A 1.150 164.150 20 0.5 35.6 8.389E-05 3322745653.12500 156.60 203.9 203.9 31.440 195.590 168.612 -53.7 188.0 143.7 320 1334 C 18 H 2 A 1.200 164.200 20 337.4 33.7 7.324E-05 3322745658.45312 156.60 180.8 180.8 31.440 195.640 168.655 -63.6 226.3 153.6 320 1334 C 18 H 2 A 1.250 164.250 20 311.2 36.8 8.397E-05 3322745663.78125 156.60 154.6 154.6 31.440 195.690 168.698 -52.1 268.9 142.1 320 1334 C 18 H 2 A 1.300 164.300 20 335.1 40.0 9.963E-05 3322745669.10937 156.60 178.5 178.5 31.440 195.740 168.741 -59.2 230.7 149.2 320 1334 C 18 H 2 A 1.350 164.350 20 331.1 49.4 1.019E-04 3322745674.42187 156.60 174.5 174.5 31.440 195.790 168.784 -51.4 235.7 141.4 320 1334 C 18 H 2 A 1.400 164.400 20 341.5 58.0 1.081E-04 3322745679.75000 156.60 184.9 184.9 31.440 195.840 168.828 -43.1 222.8 133.1 320 1334 C 18 H 3 A 0.100 164.600 20 353.2 37.3 8.208E-05 3322746385.81250 156.60 196.6 196.6 31.440 196.040 169.000 -56.9 198.8 146.9 320 1334 C 18 H 3 A 0.150 164.650 20 328.9 18.3 9.419E-05 3322746391.14062 156.60 172.3 172.3 31.440 196.090 169.043 -71.0 252.0 161.0 320 1334 C 18 H 3 A 0.200 164.700 20 323.5 15.1 6.458E-05 3322746396.46875 156.60 166.9 166.9 31.440 196.140 169.086 -69.6 268.1 159.6 320 1334 C 18 H 3 A 0.250 164.750 20 324.8 18.4 4.120E-05 3322746401.79687 156.60 168.2 168.2 31.440 196.190 169.129 -69.0 262.2 159.0 320 1334 C 18 H 3 A 0.300 164.800 20 22.8 6.2 3.538E-05 3322746407.10937 156.60 226.2 226.2 31.440 196.240 169.172 -42.6 149.8 132.6 320 1334 C 18 H 3 A 0.350 164.850 20 167.0 -24.5 5.720E-05 3322746412.43750 156.60 10.4 10.4 31.440 196.290 169.216 66.7 21.6 23.3 320 1334 C 18 H 3 A 0.400 164.900 20 222.3 -2.3 1.701E-04 3322746417.76562 156.60 65.7 65.7 31.440 196.340 169.259 23.9 322.9 66.1 320 1334 C 18 H 3 A 0.450 164.950 20 246.7 29.4 5.160E-05 3322746423.09375 156.60 90.1 90.1 31.440 196.390 169.302 2.1 302.4 87.9 320 1334 C 18 H 3 A 0.500 165.000 20 21.6 18.1 4.862E-05 3322746428.40625 156.60 225.0 225.0 31.440 196.440 169.345 -42.0 158.2 132.0 320 1334 C 18 H 3 A 0.550 165.050 20 6.4 20.1 4.307E-05 3322746433.73437 156.60 209.8 209.8 31.440 196.490 169.388 -55.1 169.3 145.1 320 1334 C 18 H 3 A 0.600 165.100 20 311.4 21.4 6.741E-05 3322746439.06250 156.60 154.8 154.8 31.440 196.540 169.431 -58.5 281.1 148.5 320 1334 C 18 H 3 A 0.650 165.150 20 307.8 45.2 8.236E-05 3322746444.39062 156.60 151.2 151.2 31.440 196.590 169.474 -45.4 265.9 135.4 320 1334 C 18 H 3 A 0.700 165.200 20 276.0 53.3 8.593E-05 3322746449.71875 156.60 119.4 119.4 31.440 196.640 169.517 -19.0 278.0 109.0 320 1334 C 18 H 3 A 0.750 165.250 20 325.0 67.2 1.183E-04 3322746455.03125 156.60 168.4 168.4 31.440 196.690 169.560 -31.2 236.7 121.2 320 1334 C 18 H 3 A 0.800 165.300 20 332.7 54.0 7.630E-05 3322746460.35937 156.60 176.1 176.1 31.440 196.740 169.603 -47.3 232.8 137.3 320 1334 C 18 H 3 A 0.850 165.350 20 301.1 -14.0 1.109E-04 3322746465.68750 156.60 144.5 144.5 31.440 196.790 169.647 -54.8 319.0 144.8 320 1334 C 18 H 3 A 0.900 165.400 20 78.2 -13.0 1.182E-04 3322746471.01562 156.60 281.6 -78.4 31.440 196.840 169.690 10.5 129.8 79.5 320 1334 C 18 H 3 A 0.950 165.450 20 338.2 43.3 4.575E-05 3322746476.32812 156.60 181.6 181.6 31.440 196.890 169.733 -56.7 225.4 146.7 320 1334 C 18 H 3 A 1.000 165.500 20 290.8 42.6 6.780E-05 3322746481.65625 156.60 134.2 134.2 31.440 196.940 169.776 -34.7 280.4 124.7 320 1334 C 18 H 3 A 1.050 165.550 20 323.6 49.0 6.895E-05 3322746486.98437 156.60 167.0 167.0 31.440 196.990 169.819 -50.1 245.7 140.1 320 1334 C 18 H 3 A 1.100 165.600 20 3.6 46.1 9.795E-05 3322746492.31250 156.60 207.0 207.0 31.440 197.040 169.862 -46.0 192.6 136.0 320 1334 C 18 H 3 A 1.150 165.650 20 328.9 31.7 9.148E-05 3322746497.64062 156.60 172.3 172.3 31.440 197.090 169.905 -63.7 244.8 153.7 320 1334 C 18 H 3 A 1.200 165.700 20 305.3 -2.1 3.537E-05 3322746502.96875 156.60 148.7 148.7 31.440 197.140 169.948 -58.1 307.1 148.1 320 1334 C 18 H 3 A 1.250 165.750 20 23.2 1.1 1.402E-05 3322746508.29687 156.60 226.6 226.6 31.440 197.190 169.991 -42.8 146.3 132.8 320 1334 C 18 H 3 A 1.300 165.800 20 14.2 24.7 5.356E-05 3322746513.62500 156.60 217.6 217.6 31.440 197.240 170.034 -47.2 167.0 137.2 320 1334 C 18 H 3 A 1.350 165.850 20 340.9 66.2 5.592E-05 3322746518.93750 156.60 184.3 184.3 31.440 197.290 170.078 -33.3 224.6 123.3 320 1334 C 18 H 3 A 1.400 165.900 20 13.1 58.8 5.231E-05 3322746524.26562 156.60 216.5 216.5 31.440 197.340 170.121 -31.7 195.4 121.7 320 1334 C 18 H 4 A 0.100 166.100 20 332.4 27.3 1.021E-04 3322747197.12500 156.60 175.8 175.8 31.440 197.540 170.293 -67.2 238.6 157.2 320 1334 C 18 H 4 A 0.150 166.150 20 336.9 56.1 7.548E-05 3322747202.43750 156.60 180.3 180.3 31.440 197.590 170.336 -45.4 227.7 135.4 320 1334 C 18 H 4 A 0.200 166.200 20 336.5 33.8 9.104E-05 3322747207.76562 156.60 179.9 179.9 31.440 197.640 170.379 -63.5 228.2 153.5 320 1334 C 18 H 4 A 0.250 166.250 20 338.4 31.7 1.188E-04 3322747213.09375 156.60 181.8 181.8 31.440 197.690 170.422 -64.8 224.0 154.8 320 1334 C 18 H 4 A 0.300 166.300 20 348.7 42.2 9.168E-05 3322747218.40625 156.60 192.1 192.1 31.440 197.740 170.466 -55.5 208.3 145.5 320 1334 C 18 H 4 A 0.350 166.350 20 350.5 23.8 7.891E-05 3322747223.73437 156.60 193.9 193.9 31.440 197.790 170.509 -65.3 193.8 155.3 320 1334 C 18 H 4 A 0.450 166.450 20 320.9 31.1 7.830E-05 3322747234.39062 156.60 164.3 164.3 31.440 197.890 170.595 -60.8 260.1 150.8 320 1334 C 18 H 4 A 0.500 166.500 20 337.1 27.9 9.964E-05 3322747239.71875 156.60 180.5 180.5 31.440 197.940 170.638 -67.2 226.8 157.2 320 1334 C 18 H 4 A 0.550 166.550 20 327.2 33.2 9.281E-05 3322747245.03125 156.60 170.6 170.6 31.440 197.990 170.681 -62.3 247.5 152.3 320 1334 C 18 H 4 A 0.650 166.650 20 336.8 23.5 6.634E-05 3322747255.68750 156.60 180.2 180.2 31.440 198.090 170.767 -69.7 227.5 159.7 320 1334 C 18 H 4 A 0.700 166.700 20 351.8 28.8 4.460E-05 3322747261.01562 156.60 195.2 195.2 31.440 198.140 170.810 -62.2 195.2 152.2 320 1334 C 18 H 4 A 0.750 166.750 20 355.8 24.0 5.944E-05 3322747266.34375 156.60 199.2 199.2 31.440 198.190 170.853 -62.0 185.0 152.0 320 1334 C 18 H 4 A 0.800 166.800 20 351.5 32.9 4.375E-05 3322747271.67187 156.60 194.9 194.9 31.440 198.240 170.897 -60.2 198.5 150.2 320 1334 C 18 H 4 A 0.850 166.850 20 350.4 39.2 3.978E-05 3322747277.00000 156.60 193.8 193.8 31.440 198.290 170.940 -56.9 204.2 146.9 320 1334 C 18 H 4 A 0.900 166.900 20 355.4 23.8 5.869E-05 3322747282.32812 156.60 198.8 198.8 31.440 198.340 170.983 -62.3 185.4 152.3 320 1334 C 18 H 4 A 0.950 166.950 20 308.3 70.4 2.363E-05 3322747287.64062 156.60 151.7 151.7 31.440 198.390 171.026 -23.1 245.4 113.1 320 1334 C 18 H 4 A 1.000 167.000 20 325.5 17.9 3.961E-05 3322747292.96875 156.60 168.9 168.9 31.440 198.440 171.069 -69.6 261.0 159.6 320 1334 C 18 H 4 A 1.050 167.050 20 332.5 14.5 6.453E-05 3322747298.29687 156.60 175.9 175.9 31.440 198.490 171.112 -74.1 243.0 164.1 320 1334 C 18 H 4 A 1.100 167.100 20 210.3 36.8 2.395E-05 3322747303.62500 156.60 53.7 53.7 31.440 198.540 171.155 36.7 298.4 53.3 320 1334 C 18 H 4 A 1.150 167.150 20 188.6 -45.9 5.613E-05 3322747308.95312 156.60 32.0 32.0 31.440 198.590 171.198 43.0 7.9 47.0 320 1334 C 18 H 4 A 1.200 167.200 20 351.4 -13.5 8.710E-05 3322747314.26562 156.60 194.8 194.8 31.440 198.640 171.241 -75.3 141.5 165.3 320 1334 C 18 H 4 A 1.250 167.250 20 359.0 22.5 6.134E-05 3322747319.59375 156.60 202.4 202.4 31.440 198.690 171.284 -60.3 179.2 150.3 320 1334 C 18 H 4 A 1.300 167.300 20 345.0 24.1 7.022E-05 3322747324.92187 156.60 188.4 188.4 31.440 198.740 171.328 -67.8 205.9 157.8 320 1334 C 18 H 4 A 1.350 167.350 20 333.0 17.3 5.720E-05 3322747330.25000 156.60 176.4 176.4 31.440 198.790 171.371 -72.8 240.1 162.8 320 1334 C 18 H 4 A 1.400 167.400 20 337.3 14.5 7.650E-05 3322747335.57812 156.60 180.7 180.7 31.440 198.840 171.414 -74.6 225.4 164.6 320 1334 C 18 H 5 A 0.100 167.600 20 317.1 18.6 7.751E-05 3322748239.64062 156.60 160.5 160.5 31.440 199.040 171.586 -63.8 276.3 153.8 320 1334 C 18 H 5 A 0.150 167.650 20 316.6 31.4 5.973E-05 3322748244.96875 156.60 160.0 160.0 31.440 199.090 171.629 -58.2 266.3 148.2 320 1334 C 18 H 5 A 0.200 167.700 20 317.8 26.4 6.426E-05 3322748250.29687 156.60 161.2 161.2 31.440 199.140 171.672 -61.2 268.5 151.2 320 1334 C 18 H 5 A 0.250 167.750 20 322.1 22.5 5.373E-05 3322748255.60937 156.60 165.5 165.5 31.440 199.190 171.716 -65.6 264.4 155.6 320 1334 C 18 H 5 A 0.300 167.800 20 306.9 27.0 4.609E-05 3322748260.93750 156.60 150.3 150.3 31.440 199.240 171.759 -53.1 281.0 143.1 320 1334 C 18 H 5 A 0.350 167.850 20 300.2 42.0 4.383E-05 3322748266.26562 156.60 143.6 143.6 31.440 199.290 171.802 -42.0 274.8 132.0 320 1334 C 18 H 5 A 0.400 167.900 20 293.9 43.5 4.598E-05 3322748271.59375 156.60 137.3 137.3 31.440 199.340 171.845 -36.7 277.9 126.7 320 1334 C 18 H 5 A 0.450 167.950 20 308.1 44.6 4.634E-05 3322748276.92187 156.60 151.5 151.5 31.440 199.390 171.888 -46.0 266.0 136.0 320 1334 C 18 H 5 A 0.500 168.000 20 338.1 32.7 5.436E-05 3322748282.25000 156.60 181.5 181.5 31.440 199.440 171.931 -64.2 224.8 154.2 320 1334 C 18 H 5 A 0.550 168.050 20 305.4 40.2 3.958E-05 3322748287.56250 156.60 148.8 148.8 31.440 199.490 171.974 -46.6 272.0 136.6 320 1334 C 18 H 5 A 0.600 168.100 20 322.4 26.7 4.331E-05 3322748292.89062 156.60 165.8 165.8 31.440 199.540 172.017 -63.8 260.6 153.8 320 1334 C 18 H 5 A 0.650 168.150 20 313.1 8.6 6.367E-05 3322748298.21875 156.60 156.5 156.5 31.440 199.590 172.060 -63.5 291.1 153.5 320 1334 C 18 H 5 A 0.700 168.200 20 319.6 17.8 6.406E-05 3322748303.54687 156.60 163.0 163.0 31.440 199.640 172.103 -65.9 273.1 155.9 320 1334 C 18 H 5 A 0.750 168.250 20 341.1 26.8 5.619E-05 3322748308.85937 156.60 184.5 184.5 31.440 199.690 172.147 -67.4 216.6 157.4 320 1334 C 18 H 5 A 0.800 168.300 20 329.5 39.9 5.103E-05 3322748314.18750 156.60 172.9 172.9 31.440 199.740 172.190 -58.5 240.7 148.5 320 1334 C 18 H 5 A 0.850 168.350 20 338.8 19.6 6.682E-05 3322748319.51562 156.60 182.2 182.2 31.440 199.790 172.233 -71.8 221.1 161.8 320 1334 C 18 H 5 A 0.900 168.400 20 332.7 11.5 9.252E-05 3322748324.84375 156.60 176.1 176.1 31.440 199.840 172.276 -75.7 243.9 165.7 320 1334 C 18 H 5 A 0.950 168.450 20 335.0 19.0 1.048E-04 3322748330.15625 156.60 178.4 178.4 31.440 199.890 172.319 -72.2 233.2 162.2 320 1334 C 18 H 5 A 1.000 168.500 20 342.1 23.8 9.449E-05 3322748335.48437 156.60 185.5 185.5 31.440 199.940 172.362 -68.9 213.0 158.9 320 1334 C 18 H 5 A 1.050 168.550 20 332.9 44.0 5.473E-05 3322748340.81250 156.60 176.3 176.3 31.440 199.990 172.405 -56.0 234.0 146.0 320 1334 C 18 H 5 A 1.100 168.600 20 347.8 41.1 6.615E-05 3322748346.14062 156.60 191.2 191.2 31.440 200.040 172.448 -56.6 209.2 146.6 320 1334 C 18 H 5 A 1.150 168.650 20 353.3 51.6 4.697E-05 3322748351.46875 156.60 196.7 196.7 31.440 200.090 172.491 -46.7 207.3 136.7 320 1334 C 18 H 5 A 1.200 168.700 20 330.6 48.6 4.569E-05 3322748356.79687 156.60 174.0 174.0 31.440 200.140 172.534 -52.0 236.5 142.0 320 1334 C 18 H 5 A 1.250 168.750 20 332.0 40.7 6.236E-05 3322748362.10937 156.60 175.4 175.4 31.440 200.190 172.578 -58.4 236.1 148.4 320 1334 C 18 H 5 A 1.300 168.800 20 354.4 41.6 7.141E-05 3322748367.43750 156.60 197.8 197.8 31.440 200.240 172.621 -53.6 199.9 143.6 320 1334 C 18 H 5 A 1.350 168.850 20 348.5 36.9 6.599E-05 3322748372.76562 156.60 191.9 191.9 31.440 200.290 172.664 -59.1 205.9 149.1 320 1334 C 18 H 5 A 1.400 168.900 20 317.9 42.5 6.930E-05 3322748378.07812 156.60 161.3 161.3 31.440 200.340 172.707 -52.6 256.7 142.6 320 1334 C 18 H 6 A 0.100 169.100 20 17.6 40.3 4.782E-05 3322749515.65625 156.60 221.0 221.0 31.440 200.540 172.879 -39.3 176.7 129.3 320 1334 C 18 H 6 A 0.150 169.150 20 355.3 49.2 4.634E-05 3322749520.98437 156.60 198.7 198.7 31.440 200.590 172.922 -47.9 203.6 137.9 320 1334 C 18 H 6 A 0.200 169.200 20 4.9 60.3 4.095E-05 3322749526.31250 156.60 208.3 208.3 31.440 200.640 172.966 -34.3 202.5 124.3 320 1334 C 18 H 6 A 0.250 169.250 20 347.8 70.1 4.554E-05 3322749531.64062 156.60 191.2 191.2 31.440 200.690 173.009 -27.2 220.7 117.2 320 1334 C 18 H 6 A 0.300 169.300 20 347.1 56.3 6.073E-05 3322749536.95312 156.60 190.5 190.5 31.440 200.740 173.052 -44.1 216.3 134.1 320 1334 C 18 H 6 A 0.350 169.350 20 359.0 58.8 5.877E-05 3322749542.28125 156.60 202.4 202.4 31.440 200.790 173.095 -38.1 206.1 128.1 320 1334 C 18 H 6 A 0.400 169.400 20 8.6 45.5 6.208E-05 3322749547.60937 156.60 212.0 212.0 31.440 200.840 173.138 -43.3 187.6 133.3 320 1334 C 18 H 6 A 0.450 169.450 20 353.6 31.5 6.846E-05 3322749552.93750 156.60 197.0 197.0 31.440 200.890 173.181 -59.9 194.2 149.9 320 1334 C 18 H 6 A 0.500 169.500 20 355.2 35.4 5.099E-05 3322749558.25000 156.60 198.6 198.6 31.440 200.940 173.224 -56.9 194.6 146.9 320 1334 C 18 H 6 A 0.550 169.550 20 356.0 35.0 5.896E-05 3322749563.57812 156.60 199.4 199.4 31.440 200.990 173.267 -56.7 193.2 146.7 320 1334 C 18 H 6 A 0.600 169.600 20 347.1 59.9 4.488E-05 3322749568.90625 156.60 190.5 190.5 31.440 201.040 173.310 -40.3 217.6 130.3 320 1334 C 18 H 6 A 0.650 169.650 20 5.2 62.2 4.640E-05 3322749574.23437 156.60 208.6 208.6 31.440 201.090 173.353 -32.4 203.8 122.4 320 1334 C 18 H 6 A 0.700 169.700 20 357.2 36.9 5.926E-05 3322749579.54687 156.60 200.6 200.6 31.440 201.140 173.397 -55.0 193.0 145.0 320 1334 C 18 H 6 A 0.750 169.750 20 349.1 42.3 4.928E-05 3322749584.87500 156.60 192.5 192.5 31.440 201.190 173.440 -55.3 207.8 145.3 320 1334 C 18 H 6 A 0.800 169.800 20 351.4 52.4 3.688E-05 3322749590.20312 156.60 194.8 194.8 31.440 201.240 173.483 -46.7 209.8 136.7 320 1334 C 18 H 6 A 0.850 169.850 20 4.1 43.7 3.714E-05 3322749595.53125 156.60 207.5 207.5 31.440 201.290 173.526 -47.1 190.3 137.1 320 1334 C 18 H 6 A 0.900 169.900 20 324.4 36.9 4.725E-05 3322749600.85937 156.60 167.8 167.8 31.440 201.340 173.569 -59.0 250.6 149.0 320 1334 C 18 H 6 A 0.950 169.950 20 337.4 41.6 6.032E-05 3322749606.17187 156.60 180.8 180.8 31.440 201.390 173.612 -58.1 226.6 148.1 320 1334 C 18 H 6 A 1.000 170.000 20 15.9 42.9 4.983E-05 3322749611.50000 156.60 219.3 219.3 31.440 201.440 173.655 -39.5 179.9 129.5 320 1334 C 18 H 6 A 1.050 170.050 20 19.5 41.8 5.469E-05 3322749616.82812 156.60 222.9 222.9 31.440 201.490 173.698 -37.3 176.7 127.3 320 1334 C 18 H 6 A 1.100 170.100 20 342.4 43.1 6.297E-05 3322749622.14062 156.60 185.8 185.8 31.440 201.540 173.741 -56.5 218.5 146.5 320 1334 C 18 H 6 A 1.150 170.150 20 339.5 59.6 4.709E-05 3322749627.46875 156.60 182.9 182.9 31.440 201.590 173.784 -41.5 225.1 131.5 320 1334 C 18 H 6 A 1.200 170.200 20 44.8 66.3 4.199E-05 3322749632.79687 156.60 248.2 248.2 31.440 201.640 173.828 -7.9 189.8 97.9 320 1334 C 18 H 6 A 1.250 170.250 20 359.8 49.9 4.688E-05 3322749638.12500 156.60 203.2 203.2 31.440 201.690 173.871 -45.4 199.2 135.4 320 1334 C 18 H 6 A 1.300 170.300 20 13.1 80.7 3.487E-05 3322749643.43750 156.60 216.5 216.5 31.440 201.740 173.914 -6.6 217.3 96.6 320 1334 C 18 H 6 A 1.350 170.350 20 24.1 35.4 5.442E-05 3322749648.76562 156.60 227.5 227.5 31.440 201.790 173.957 -35.7 169.2 125.7 320 1334 C 18 H 6 A 1.400 170.400 20 0.3 28.9 6.360E-05 3322749654.09375 156.60 203.7 203.7 31.440 201.840 174.000 -56.8 182.9 146.8 320 1334 C 18 H 7 A 0.100 170.600 20 356.7 47.2 4.926E-05 3322750352.18750 156.60 200.1 200.1 31.440 202.040 174.172 -48.8 200.7 138.8 320 1334 C 18 H 7 A 0.150 170.650 20 328.6 57.5 3.840E-05 3322750357.51562 156.60 172.0 172.0 31.440 202.090 174.216 -43.3 236.7 133.3 320 1334 C 18 H 7 A 0.200 170.700 20 18.4 12.4 2.930E-05 3322750362.84375 156.60 221.8 221.8 31.440 202.140 174.259 -45.9 155.7 135.9 320 1334 C 18 H 7 A 0.250 170.750 20 283.4 -12.4 9.560E-05 3322750368.15625 156.60 126.8 126.8 31.440 202.190 174.302 -37.2 319.9 127.2 320 1334 C 18 H 7 A 0.300 170.800 20 304.7 -21.5 1.381E-04 3322750373.48437 156.60 148.1 148.1 31.440 202.240 174.345 -58.4 326.3 148.4 320 1334 C 18 H 7 A 0.350 170.850 20 36.1 -2.9 9.042E-05 3322750378.81250 156.60 239.5 239.5 31.440 202.290 174.388 -30.4 141.1 120.4 320 1334 C 18 H 7 A 0.400 170.900 20 346.3 17.2 4.262E-05 3322750384.14062 156.60 189.7 189.7 31.440 202.340 174.431 -70.6 197.9 160.6 320 1334 C 18 H 7 A 0.450 170.950 20 150.9 -26.5 7.531E-05 3322750389.46875 156.60 354.3 -5.7 31.440 202.390 174.474 67.3 62.5 22.7 320 1334 C 18 H 7 A 0.500 171.000 20 126.9 -33.7 2.140E-04 3322750394.79687 156.60 330.3 -29.7 31.440 202.440 174.517 50.5 95.7 39.5 320 1334 C 19 H 1 A 0.100 171.100 20 216.1 27.1 4.304E-05 3322752003.10937 9.40 206.7 206.7 32.520 203.620 175.534 -55.3 178.1 145.3 320 1334 C 19 H 1 A 0.150 171.150 20 187.4 25.3 4.183E-05 3322752008.43750 9.40 178.0 178.0 32.520 203.670 175.578 -68.6 233.4 158.6 320 1334 C 19 H 1 A 0.200 171.200 20 189.1 63.6 5.413E-05 3322752013.76562 9.40 179.7 179.7 32.520 203.720 175.621 -36.8 228.3 126.8 320 1334 C 19 H 1 A 0.250 171.250 20 197.3 72.4 5.840E-05 3322752019.09375 9.40 187.9 187.9 32.520 203.770 175.664 -24.1 223.4 114.1 320 1334 C 19 H 1 A 0.300 171.300 20 129.0 57.4 6.251E-05 3322752024.40625 9.40 119.6 119.6 32.520 203.820 175.707 -17.4 273.9 107.4 320 1334 C 19 H 1 A 0.350 171.350 20 161.3 66.1 4.485E-05 3322752029.73437 9.40 151.9 151.9 32.520 203.870 175.750 -28.4 248.8 118.4 320 1334 C 19 H 1 A 0.400 171.400 20 152.0 71.8 3.364E-05 3322752035.06250 9.40 142.6 142.6 32.520 203.920 175.793 -18.4 248.6 108.4 320 1334 C 19 H 1 A 0.450 171.450 20 109.0 51.6 4.204E-05 3322752040.39062 9.40 99.6 99.6 32.520 203.970 175.836 -3.8 284.7 93.8 320 1334 C 19 H 1 A 0.500 171.500 20 243.0 19.0 1.812E-04 3322752045.70312 9.40 233.6 233.6 32.520 204.020 175.879 -33.8 155.5 123.8 320 1334 C 19 H 1 A 0.550 171.550 20 228.0 -2.2 1.684E-04 3322752051.03125 9.40 218.6 218.6 32.520 204.070 175.922 -50.9 146.2 140.9 320 1334 C 19 H 1 A 0.600 171.600 20 131.5 47.2 2.084E-05 3322752056.35937 9.40 122.1 122.1 32.520 204.120 175.966 -23.4 282.3 113.4 320 1334 C 19 H 1 A 0.650 171.650 20 187.1 62.1 3.632E-05 3322752061.68750 9.40 177.7 177.7 32.520 204.170 176.009 -38.6 230.2 128.6 320 1334 C 19 H 1 A 0.700 171.700 20 195.7 34.0 4.394E-05 3322752067.01562 9.40 186.3 186.3 32.520 204.220 176.052 -62.7 215.0 152.7 320 1334 C 19 H 1 A 0.750 171.750 20 199.8 62.9 2.348E-05 3322752072.34375 9.40 190.4 190.4 32.520 204.270 176.095 -36.8 218.7 126.8 320 1334 C 19 H 1 A 0.800 171.800 20 235.3 29.6 1.554E-05 3322752077.65625 9.40 225.9 225.9 32.520 204.320 176.138 -38.7 165.8 128.7 320 1334 C 19 H 1 A 0.850 171.850 20 248.5 77.4 2.760E-05 3322752082.98437 9.40 239.1 239.1 32.520 204.370 176.181 -4.6 207.5 94.6 320 1334 C 19 H 1 A 0.900 171.900 20 79.2 79.8 3.987E-05 3322752088.31250 9.40 69.8 69.8 32.520 204.420 176.224 14.3 247.2 75.7 320 1334 C 19 H 1 A 0.950 171.950 20 7.0 61.8 3.805E-05 3322752093.64062 9.40 357.6 -2.4 32.520 204.470 176.267 54.9 225.0 35.1 320 1334 C 19 H 1 A 1.000 172.000 20 184.3 27.5 4.957E-05 3322752098.96875 9.40 174.9 174.9 32.520 204.520 176.310 -66.9 240.7 156.9 320 1334 C 19 H 1 A 1.050 172.050 20 234.2 0.8 3.142E-05 3322752104.28125 9.40 224.8 224.8 32.520 204.570 176.353 -44.6 146.6 134.6 320 1334 C 19 H 1 A 1.100 172.100 20 334.6 67.3 2.598E-05 3322752109.60937 9.40 325.2 -34.8 32.520 204.620 176.397 38.9 199.9 51.1 320 1334 C 19 H 1 A 1.150 172.150 20 168.8 59.6 2.872E-05 3322752114.93750 9.40 159.4 159.4 32.520 204.670 176.440 -38.0 247.9 128.0 320 1334 C 19 H 1 A 1.200 172.200 20 209.8 29.4 3.928E-05 3322752120.26562 9.40 200.4 200.4 32.520 204.720 176.483 -58.8 187.6 148.8 320 1334 C 19 H 1 A 1.250 172.250 20 187.8 18.8 4.919E-05 3322752125.59375 9.40 178.4 178.4 32.520 204.770 176.526 -72.3 233.2 162.3 320 1334 C 19 H 1 A 1.300 172.300 20 208.2 -22.9 1.507E-04 3322752130.90625 9.40 198.8 198.8 32.520 204.820 176.569 -71.1 124.5 161.1 320 1334 C 19 H 1 A 1.350 172.350 20 352.7 -72.7 1.008E-04 3322752136.23437 9.40 343.3 -16.7 32.520 204.870 176.612 22.5 57.5 67.5 320 1334 C 19 H 1 A 1.400 172.400 20 5.5 -16.8 7.343E-05 3322752141.56250 9.40 356.1 -3.9 32.520 204.920 176.655 73.0 61.3 17.0 320 1334 C 19 H 2 A 0.100 172.600 20 42.1 34.1 3.477E-05 3322752787.60937 9.40 32.7 32.7 32.520 205.120 176.828 56.5 296.0 33.5 320 1334 C 19 H 2 A 0.150 172.650 20 346.4 52.7 3.314E-05 3322752792.93750 9.40 337.0 -23.0 32.520 205.170 176.871 57.0 191.2 33.0 320 1334 C 19 H 2 A 0.200 172.700 20 24.9 50.0 2.987E-05 3322752798.26562 9.40 15.5 15.5 32.520 205.220 176.914 63.0 258.4 27.0 320 1334 C 19 H 2 A 0.250 172.750 20 56.6 69.5 2.139E-05 3322752803.59375 9.40 47.2 47.2 32.520 205.270 176.957 31.0 258.9 59.0 320 1334 C 19 H 2 A 0.300 172.800 20 322.5 46.8 2.772E-05 3322752808.90625 9.40 313.1 -46.9 32.520 205.320 177.000 41.5 168.7 48.5 320 1334 C 19 H 2 A 0.350 172.850 20 16.9 54.8 2.712E-05 3322752814.23437 9.40 7.5 7.5 32.520 205.370 177.043 61.8 241.1 28.2 320 1334 C 19 H 2 A 0.400 172.900 20 138.6 40.7 2.432E-05 3322752819.56250 9.40 129.2 129.2 32.520 205.420 177.086 -31.3 284.5 121.3 320 1334 C 19 H 2 A 0.450 172.950 20 193.7 50.4 1.344E-05 3322752824.89062 9.40 184.3 184.3 32.520 205.470 177.129 -50.6 222.2 140.6 320 1334 C 19 H 2 A 0.500 173.000 20 252.8 37.6 2.742E-05 3322752830.20312 9.40 243.4 243.4 32.520 205.520 177.172 -21.3 164.4 111.3 320 1334 C 19 H 2 A 0.550 173.050 20 221.7 67.0 2.279E-05 3322752835.53125 9.40 212.3 212.3 32.520 205.570 177.216 -25.8 205.4 115.8 320 1334 C 19 H 2 A 0.600 173.100 20 180.8 57.6 1.576E-05 3322752840.85937 9.40 171.4 171.4 32.520 205.620 177.259 -43.1 237.3 133.1 320 1334 C 19 H 2 A 0.650 173.150 20 146.6 37.2 3.465E-05 3322752846.18750 9.40 137.2 137.2 32.520 205.670 177.302 -39.0 282.9 129.0 320 1334 C 19 H 2 A 0.700 173.200 20 144.8 50.1 3.083E-05 3322752851.51562 9.40 135.4 135.4 32.520 205.720 177.345 -32.3 273.5 122.3 320 1334 C 19 H 2 A 0.750 173.250 20 159.9 35.5 3.062E-05 3322752856.84375 9.40 150.5 150.5 32.520 205.770 177.388 -49.9 274.1 139.9 320 1334 C 19 H 2 A 0.800 173.300 20 270.6 43.7 1.800E-05 3322752862.15625 9.40 261.2 261.2 32.520 205.820 177.431 -4.4 164.6 94.4 320 1334 C 19 H 2 A 0.850 173.350 20 279.8 69.3 1.867E-05 3322752867.48437 9.40 270.4 -89.6 32.520 205.870 177.474 6.6 190.7 83.4 320 1334 C 19 H 2 A 0.900 173.400 20 189.2 39.6 4.238E-05 3322752872.81250 9.40 179.8 179.8 32.520 205.920 177.517 -59.5 228.4 149.5 320 1334 C 19 H 2 A 0.950 173.450 20 268.2 75.0 4.194E-05 3322752878.14062 9.40 258.8 258.8 32.520 205.970 177.560 1.8 200.4 88.2 320 1334 C 19 H 2 A 1.000 173.500 20 192.6 74.3 6.421E-05 3322752883.46875 9.40 183.2 183.2 32.520 206.020 177.603 -21.3 226.3 111.3 320 1334 C 19 H 2 A 1.050 173.550 20 162.5 45.2 6.484E-05 3322752888.78125 9.40 153.1 153.1 32.520 206.070 177.647 -46.6 264.0 136.6 320 1334 C 19 H 2 A 1.100 173.600 20 215.0 71.4 3.114E-05 3322752894.10937 9.40 205.6 205.6 32.520 206.120 177.690 -22.5 212.9 112.5 320 1334 C 19 H 2 A 1.150 173.650 20 212.5 77.2 3.098E-05 3322752899.43750 9.40 203.1 203.1 32.520 206.170 177.733 -14.5 218.4 104.5 320 1334 C 19 H 2 A 1.200 173.700 20 121.4 53.1 3.519E-05 3322752904.76562 9.40 112.0 112.0 32.520 206.220 177.776 -13.4 280.5 103.4 320 1334 C 19 H 2 A 1.250 173.750 20 189.8 32.5 2.986E-05 3322752910.09375 9.40 180.4 180.4 32.520 206.270 177.819 -64.3 227.2 154.3 320 1334 C 19 H 2 A 1.300 173.800 20 198.5 14.1 5.263E-05 3322752915.40625 9.40 189.1 189.1 32.520 206.320 177.862 -72.3 196.9 162.3 320 1334 C 19 H 2 A 1.350 173.850 20 228.9 45.6 2.788E-05 3322752920.73437 9.40 219.5 219.5 32.520 206.370 177.905 -38.1 182.0 128.1 320 1334 C 19 H 2 A 1.400 173.900 20 142.6 47.6 1.512E-05 3322752926.06250 9.40 133.2 133.2 32.520 206.420 177.948 -31.9 276.9 121.9 320 1334 C 19 H 3 A 0.100 174.100 20 121.1 24.5 1.739E-04 3322753575.43750 9.40 111.7 111.7 32.520 206.620 178.121 -19.0 301.4 109.0 320 1334 C 19 H 3 A 0.150 174.150 20 218.0 62.3 1.017E-04 3322753580.76562 9.40 208.6 208.6 32.520 206.670 178.164 -32.3 203.8 122.3 320 1334 C 19 H 3 A 0.200 174.200 20 215.6 77.0 7.195E-05 3322753586.09375 9.40 206.2 206.2 32.520 206.720 178.207 -14.3 217.0 104.3 320 1334 C 19 H 3 A 0.250 174.250 20 169.6 47.4 5.968E-05 3322753591.42187 9.40 160.2 160.2 32.520 206.770 178.250 -48.8 254.9 138.8 320 1334 C 19 H 3 A 0.300 174.300 20 185.3 31.6 5.449E-05 3322753596.75000 9.40 175.9 175.9 32.520 206.820 178.293 -64.6 237.2 154.6 320 1334 C 19 H 3 A 0.350 174.350 20 193.4 24.0 5.457E-05 3322753602.06250 9.40 184.0 184.0 32.520 206.870 178.336 -69.1 217.0 159.1 320 1334 C 19 H 3 A 0.400 174.400 20 156.5 19.2 6.134E-05 3322753607.39062 9.40 147.1 147.1 32.520 206.920 178.379 -52.7 290.0 142.7 320 1334 C 19 H 3 A 0.450 174.450 20 146.5 51.8 4.708E-05 3322753612.71875 9.40 137.1 137.1 32.520 206.970 178.422 -32.5 271.0 122.5 320 1334 C 19 H 3 A 0.500 174.500 20 231.3 41.7 4.556E-05 3322753618.04687 9.40 221.9 221.9 32.520 207.020 178.466 -38.1 177.2 128.1 320 1334 C 19 H 3 A 0.550 174.550 20 185.6 34.1 4.229E-05 3322753623.37500 9.40 176.2 176.2 32.520 207.070 178.509 -63.0 236.0 153.0 320 1334 C 19 H 3 A 0.600 174.600 20 187.0 47.6 3.153E-05 3322753628.70312 9.40 177.6 177.6 32.520 207.120 178.552 -53.2 231.5 143.2 320 1334 C 19 H 3 A 0.650 174.650 20 158.6 50.9 3.693E-05 3322753634.03125 9.40 149.2 149.2 32.520 207.170 178.595 -40.7 263.1 130.7 320 1334 C 19 H 3 A 0.700 174.700 20 193.8 71.4 2.981E-05 3322753639.34375 9.40 184.4 184.4 32.520 207.220 178.638 -25.8 225.3 115.8 320 1334 C 19 H 3 A 0.750 174.750 20 313.6 71.1 3.002E-05 3322753644.67187 9.40 304.2 -55.8 32.520 207.270 178.681 25.4 196.9 64.6 320 1334 C 19 H 3 A 0.800 174.800 20 169.3 80.0 3.764E-05 3322753650.00000 9.40 159.9 159.9 32.520 207.320 178.724 -10.3 234.7 100.3 320 1334 C 19 H 3 A 0.850 174.850 20 170.3 45.8 5.447E-05 3322753655.32812 9.40 160.9 160.9 32.520 207.370 178.767 -50.2 255.1 140.2 320 1334 C 19 H 3 A 0.900 174.900 20 144.3 27.3 8.552E-05 3322753660.65625 9.40 134.9 134.9 32.520 207.420 178.810 -39.9 291.5 129.9 320 1334 C 19 H 3 A 0.950 174.950 20 187.6 51.5 3.968E-05 3322753665.96875 9.40 178.2 178.2 32.520 207.470 178.853 -49.8 230.4 139.8 320 1334 C 19 H 3 A 1.000 175.000 20 273.7 11.0 8.290E-05 3322753671.29687 9.40 264.3 264.3 32.520 207.520 178.897 -4.8 144.3 94.8 320 1334 C 19 H 3 A 1.050 175.050 20 101.6 13.1 3.224E-05 3322753676.62500 9.40 92.2 92.2 32.520 207.570 178.940 -1.2 311.2 91.2 320 1334 C 19 H 3 A 1.100 175.100 20 130.8 47.8 5.232E-05 3322753681.95312 9.40 121.4 121.4 32.520 207.620 178.983 -22.6 282.1 112.6 320 1334 C 19 H 3 A 1.150 175.150 20 195.6 60.3 4.687E-05 3322753687.28125 9.40 186.2 186.2 32.520 207.670 179.026 -40.4 221.9 130.4 320 1334 C 19 H 3 A 1.200 175.200 20 115.4 82.5 4.142E-05 3322753692.59375 9.40 106.0 106.0 32.520 207.720 179.069 3.7 242.2 86.3 320 1334 C 19 H 3 A 1.250 175.250 20 122.5 79.8 5.023E-05 3322753697.92187 9.40 113.1 113.1 32.520 207.770 179.112 0.0 246.2 90.0 320 1334 C 19 H 3 A 1.300 175.300 20 197.7 80.6 4.282E-05 3322753703.25000 9.40 188.3 188.3 32.520 207.820 179.155 -10.1 225.4 100.1 320 1334 C 19 H 3 A 1.350 175.350 20 151.0 38.3 5.523E-05 3322753708.57812 9.40 141.6 141.6 32.520 207.870 179.198 -42.1 279.2 132.1 320 1334 C 19 H 3 A 1.400 175.400 20 176.3 22.3 8.690E-05 3322753713.90625 9.40 166.9 166.9 32.520 207.920 179.241 -66.5 261.8 156.5 320 1334 C 19 H 4 A 0.100 175.600 20 244.7 58.6 2.659E-05 3322754426.31250 9.40 235.3 235.3 32.520 208.120 179.414 -20.4 185.3 110.4 320 1334 C 19 H 4 A 0.150 175.650 20 195.6 59.0 3.832E-05 3322754431.64062 9.40 186.2 186.2 32.520 208.170 179.457 -41.9 221.6 131.9 320 1334 C 19 H 4 A 0.200 175.700 20 188.2 59.4 3.998E-05 3322754436.96875 9.40 178.8 178.8 32.520 208.220 179.500 -41.8 229.3 131.8 320 1334 C 19 H 4 A 0.250 175.750 20 223.4 66.8 2.812E-05 3322754442.29687 9.40 214.0 214.0 32.520 208.270 179.543 -25.4 204.3 115.4 320 1334 C 19 H 4 A 0.300 175.800 20 208.3 38.7 2.339E-05 3322754447.62500 9.40 198.9 198.9 32.520 208.320 179.586 -54.9 196.5 144.9 320 1334 C 19 H 4 A 0.350 175.850 20 267.9 22.0 3.709E-05 3322754452.95312 9.40 258.5 258.5 32.520 208.370 179.629 -9.6 151.1 99.6 320 1334 C 19 H 4 A 0.400 175.900 20 172.8 30.4 4.044E-05 3322754458.28125 9.40 163.4 163.4 32.520 208.420 179.672 -60.6 262.0 150.6 320 1334 C 19 H 4 A 0.450 175.950 20 141.3 17.6 7.555E-05 3322754463.59375 9.40 131.9 131.9 32.520 208.470 179.716 -39.2 299.5 129.2 320 1334 C 19 H 4 A 0.500 176.000 20 169.2 34.8 3.075E-05 3322754468.92187 9.40 159.8 159.8 32.520 208.520 179.759 -56.3 264.1 146.3 320 1334 C 19 H 4 A 0.550 176.050 20 262.7 34.2 1.975E-05 3322754474.25000 9.40 253.3 253.3 32.520 208.570 179.802 -13.0 159.5 103.0 320 1334 C 19 H 4 A 0.600 176.100 20 208.3 36.6 1.910E-05 3322754479.57812 9.40 198.9 198.9 32.520 208.620 179.845 -56.1 195.1 146.1 320 1334 C 19 H 4 A 0.650 176.150 20 221.7 32.4 3.008E-05 3322754484.90625 9.40 212.3 212.3 32.520 208.670 179.888 -49.1 177.0 139.1 320 1334 C 19 H 4 A 0.700 176.200 20 211.8 57.3 2.908E-05 3322754490.21875 9.40 202.4 202.4 32.520 208.720 179.931 -39.6 205.1 129.6 320 1334 C 19 H 4 A 0.750 176.250 20 172.0 55.5 3.020E-05 3322754495.54687 9.40 162.6 162.6 32.520 208.770 179.974 -43.0 247.3 133.0 320 1334 C 19 H 4 A 0.800 176.300 20 215.8 34.2 3.380E-05 3322754500.87500 9.40 206.4 206.4 32.520 208.820 180.017 -52.7 184.1 142.7 320 1334 C 19 H 4 A 0.850 176.350 20 207.9 27.2 3.076E-05 3322754506.20312 9.40 198.5 198.5 32.520 208.870 180.060 -61.0 188.6 151.0 320 1334 C 19 H 4 A 0.900 176.400 20 205.8 22.2 2.243E-05 3322754511.51562 9.40 196.4 196.4 32.520 208.920 180.103 -64.6 188.0 154.6 320 1334 C 19 H 4 A 0.950 176.450 20 205.5 18.6 3.519E-05 3322754516.84375 9.40 196.1 196.1 32.520 208.970 180.147 -66.2 185.3 156.2 320 1334 C 19 H 4 A 1.000 176.500 20 191.3 15.2 4.464E-05 3322754522.17187 9.40 181.9 181.9 32.520 209.020 180.190 -74.2 221.1 164.2 320 1334 C 19 H 4 A 1.050 176.550 20 172.2 9.9 4.891E-05 3322754527.50000 9.40 162.8 162.8 32.520 209.070 180.233 -68.5 281.5 158.5 320 1334 C 19 H 4 A 1.100 176.600 20 130.0 23.7 2.907E-05 3322754532.82812 9.40 120.6 120.6 32.520 209.120 180.276 -27.6 299.5 117.6 320 1334 C 19 H 4 A 1.150 176.650 20 202.7 68.7 1.896E-05 3322754538.15625 9.40 193.3 193.3 32.520 209.170 180.319 -28.9 218.7 118.9 320 1334 C 19 H 4 A 1.200 176.700 20 231.3 39.6 3.066E-05 3322754543.48437 9.40 221.9 221.9 32.520 209.220 180.362 -38.9 175.6 128.9 320 1334 C 19 H 4 A 1.250 176.750 20 204.1 45.8 2.844E-05 3322754548.81250 9.40 194.7 194.7 32.520 209.270 180.405 -52.0 206.5 142.0 320 1334 C 19 H 4 A 1.300 176.800 20 191.7 45.9 2.449E-05 3322754554.12500 9.40 182.3 182.3 32.520 209.320 180.448 -54.6 224.5 144.6 320 1334 C 19 H 4 A 1.350 176.850 20 237.5 57.0 2.247E-05 3322754559.45312 9.40 228.1 228.1 32.520 209.370 180.491 -26.1 187.0 116.1 320 1334 C 19 H 4 A 1.400 176.900 20 229.7 44.5 2.838E-05 3322754564.78125 9.40 220.3 220.3 32.520 209.420 180.534 -38.1 180.5 128.1 320 1334 C 19 H 5 A 0.100 177.100 20 224.0 63.1 3.398E-05 3322755647.56250 9.40 214.6 214.6 32.520 209.620 180.707 -28.9 200.5 118.9 320 1334 C 19 H 5 A 0.150 177.150 20 221.9 47.1 4.136E-05 3322755652.89062 9.40 212.5 212.5 32.520 209.670 180.750 -42.0 188.5 132.0 320 1334 C 19 H 5 A 0.200 177.200 20 248.4 58.5 2.951E-05 3322755658.21875 9.40 239.0 239.0 32.520 209.720 180.793 -17.9 183.8 107.9 320 1334 C 19 H 5 A 0.250 177.250 20 188.2 66.7 3.006E-05 3322755663.53125 9.40 178.8 178.8 32.520 209.770 180.836 -32.7 229.0 122.7 320 1334 C 19 H 5 A 0.300 177.300 20 133.4 71.0 3.409E-05 3322755668.85937 9.40 124.0 124.0 32.520 209.820 180.879 -11.5 256.7 101.5 320 1334 C 19 H 5 A 0.350 177.350 20 257.7 55.0 3.154E-05 3322755674.18750 9.40 248.3 248.3 32.520 209.870 180.922 -12.5 177.3 102.5 320 1334 C 19 H 5 A 0.400 177.400 20 189.4 48.9 2.474E-05 3322755679.51562 9.40 180.0 180.0 32.520 209.920 180.966 -52.2 228.0 142.2 320 1334 C 19 H 5 A 0.450 177.450 20 233.4 66.6 2.367E-05 3322755684.84375 9.40 224.0 224.0 32.520 209.970 181.009 -21.2 198.9 111.2 320 1334 C 19 H 5 A 0.500 177.500 20 214.9 47.8 3.698E-05 3322755690.17187 9.40 205.5 205.5 32.520 210.020 181.052 -45.7 195.4 135.7 320 1334 C 19 H 5 A 0.550 177.550 20 196.8 42.5 3.388E-05 3322755695.50000 9.40 187.4 187.4 32.520 210.070 181.095 -56.6 215.8 146.6 320 1334 C 19 H 5 A 0.600 177.600 20 234.6 66.4 1.629E-05 3322755700.81250 9.40 225.2 225.2 32.520 210.120 181.138 -20.8 198.1 110.8 320 1334 C 19 H 5 A 0.650 177.650 20 249.9 65.5 1.992E-05 3322755706.14062 9.40 240.5 240.5 32.520 210.170 181.181 -13.0 191.0 103.0 320 1334 C 19 H 5 A 0.700 177.700 20 192.5 32.8 3.360E-05 3322755711.45312 9.40 183.1 183.1 32.520 210.220 181.224 -64.0 221.3 154.0 320 1334 C 19 H 5 A 0.750 177.750 20 199.8 28.1 2.732E-05 3322755716.78125 9.40 190.4 190.4 32.520 210.270 181.267 -64.8 203.8 154.8 320 1334 C 19 H 5 A 0.800 177.800 20 192.0 29.1 1.936E-05 3322755722.10937 9.40 182.6 182.6 32.520 210.320 181.310 -66.3 221.8 156.3 320 1334 C 19 H 5 A 0.850 177.850 20 209.2 48.3 2.280E-05 3322755727.43750 9.40 199.8 199.8 32.520 210.370 181.353 -48.1 201.8 138.1 320 1334 C 19 H 5 A 0.900 177.900 20 161.0 77.7 1.801E-05 3322755732.76562 9.40 151.6 151.6 32.520 210.420 181.397 -12.8 239.3 102.8 320 1334 C 19 H 5 A 0.950 177.950 20 272.2 62.8 1.621E-05 3322755738.07812 9.40 262.8 262.8 32.520 210.470 181.440 0.5 182.7 89.5 320 1334 C 19 H 5 A 1.000 178.000 20 184.5 36.8 1.914E-05 3322755743.40625 9.40 175.1 175.1 32.520 210.520 181.483 -61.1 237.6 151.1 320 1334 C 19 H 5 A 1.050 178.050 20 160.4 30.3 1.748E-05 3322755748.73437 9.40 151.0 151.0 32.520 210.570 181.526 -52.4 277.7 142.4 320 1334 C 19 H 5 A 1.100 178.100 20 332.6 78.6 1.223E-05 3322755754.06250 9.40 323.2 -36.8 32.520 210.620 181.569 25.2 213.7 64.8 320 1334 C 19 H 5 A 1.150 178.150 20 101.2 59.0 1.719E-05 3322755759.39062 9.40 91.8 91.8 32.520 210.670 181.612 3.7 278.4 86.3 320 1334 C 19 H 5 A 1.200 178.200 20 176.7 41.6 2.471E-05 3322755764.71875 9.40 167.3 167.3 32.520 210.720 181.655 -55.7 248.9 145.7 320 1334 C 19 H 5 A 1.250 178.250 20 220.5 55.4 2.349E-05 3322755770.04687 9.40 211.1 211.1 32.520 210.770 181.698 -37.2 196.3 127.2 320 1334 C 19 H 5 A 1.300 178.300 20 182.9 63.0 1.912E-05 3322755775.35937 9.40 173.5 173.5 32.520 210.820 181.741 -37.2 233.9 127.2 320 1334 C 19 H 5 A 1.350 178.350 20 69.8 86.1 2.228E-05 3322755780.68750 9.40 60.4 60.4 32.520 210.870 181.784 11.8 234.9 78.2 320 1334 C 19 H 5 A 1.400 178.400 20 138.5 51.2 2.702E-05 3322755786.01562 9.40 129.1 129.1 32.520 210.920 181.828 -27.2 275.8 117.2 320 1334 C 19 H 6 A 0.100 178.600 20 298.7 50.3 2.654E-05 3322756422.98437 9.40 289.3 -70.7 32.520 211.120 182.000 20.6 168.3 69.4 320 1334 C 19 H 6 A 0.150 178.650 20 277.2 62.3 2.624E-05 3322756428.29687 9.40 267.8 267.8 32.520 211.170 182.043 3.9 181.5 86.1 320 1334 C 19 H 6 A 0.200 178.700 20 295.4 72.5 2.583E-05 3322756433.62500 9.40 286.0 -74.0 32.520 211.220 182.086 15.3 195.9 74.7 320 1334 C 19 H 6 A 0.250 178.750 20 271.4 68.7 2.287E-05 3322756438.95312 9.40 262.0 262.0 32.520 211.270 182.129 1.4 190.5 88.6 320 1334 C 19 H 6 A 0.300 178.800 20 187.9 35.6 2.265E-05 3322756444.28125 9.40 178.5 178.5 32.520 211.320 182.172 -62.3 231.1 152.3 320 1334 C 19 H 6 A 0.350 178.850 20 97.9 29.5 1.981E-05 3322756449.60937 9.40 88.5 88.5 32.520 211.370 182.216 3.6 302.6 86.4 320 1334 C 19 H 6 A 0.400 178.900 20 70.3 64.7 2.683E-05 3322756454.93750 9.40 60.9 60.9 32.520 211.420 182.259 25.6 269.8 64.4 320 1334 C 19 H 6 A 0.450 178.950 20 326.9 72.0 2.650E-05 3322756460.25000 9.40 317.5 -42.5 32.520 211.470 182.302 31.0 202.6 59.0 320 1334 C 19 H 6 A 0.500 179.000 20 216.5 1.9 4.402E-05 3322756465.57812 9.40 207.1 207.1 32.520 211.520 182.345 -61.5 155.2 151.5 320 1334 C 19 H 6 A 0.550 179.050 20 275.0 42.8 2.575E-05 3322756470.90625 9.40 265.6 265.6 32.520 211.570 182.388 -0.6 163.2 90.6 320 1334 C 19 H 6 A 0.600 179.100 20 300.9 54.2 4.398E-05 3322756476.23437 9.40 291.5 -68.5 32.520 211.620 182.431 22.2 172.4 67.8 320 1334 C 19 H 6 A 0.650 179.150 20 293.8 37.2 4.559E-05 3322756481.54687 9.40 284.4 -75.6 32.520 211.670 182.474 16.2 157.4 73.8 320 1334 C 19 H 6 A 0.700 179.200 20 350.7 66.5 1.889E-05 3322756486.87500 9.40 341.3 -18.7 32.520 211.720 182.517 46.1 210.4 43.9 320 1334 C 19 H 6 A 0.750 179.250 20 84.9 70.1 1.923E-05 3322756492.20312 9.40 75.5 75.5 32.520 211.770 182.560 15.0 264.0 75.0 320 1334 C 19 H 6 A 0.800 179.300 20 318.0 74.5 1.950E-05 3322756497.53125 9.40 308.6 -51.4 32.520 211.820 182.603 24.9 203.3 65.1 320 1334 C 19 H 6 A 0.850 179.350 20 200.1 65.4 2.279E-05 3322756502.85937 9.40 190.7 190.7 32.520 211.870 182.647 -33.7 219.4 123.7 320 1334 C 19 H 6 A 0.900 179.400 20 191.1 68.2 2.228E-05 3322756508.17187 9.40 181.7 181.7 32.520 211.920 182.690 -30.6 226.8 120.6 320 1334 C 19 H 6 A 0.950 179.450 20 175.1 37.6 4.065E-05 3322756513.50000 9.40 165.7 165.7 32.520 211.970 182.733 -57.7 253.6 147.7 320 1334 C 19 H 6 A 1.000 179.500 20 151.2 54.5 3.112E-05 3322756518.82812 9.40 141.8 141.8 32.520 212.020 182.776 -33.9 265.6 123.9 320 1334 C 19 H 6 A 1.050 179.550 20 154.1 34.1 4.108E-05 3322756524.15625 9.40 144.7 144.7 32.520 212.070 182.819 -46.1 280.2 136.1 320 1334 C 19 H 6 A 1.100 179.600 20 181.4 39.9 4.206E-05 3322756529.48437 9.40 172.0 172.0 32.520 212.120 182.862 -58.3 242.2 148.3 320 1334 C 19 H 6 A 1.150 179.650 20 226.1 37.6 3.042E-05 3322756534.81250 9.40 216.7 216.7 32.520 212.170 182.905 -43.7 177.5 133.7 320 1334 C 19 H 6 A 1.200 179.700 20 181.2 16.3 4.899E-05 3322756540.12500 9.40 171.8 171.8 32.520 212.220 182.948 -71.8 254.8 161.8 320 1334 C 19 H 6 A 1.250 179.750 20 187.1 40.9 3.571E-05 3322756545.45312 9.40 177.7 177.7 32.520 212.270 182.991 -58.5 232.1 148.5 320 1334 C 19 H 6 A 1.300 179.800 20 206.5 64.9 2.792E-05 3322756550.78125 9.40 197.1 197.1 32.520 212.320 183.034 -33.1 214.2 123.1 320 1334 C 19 H 6 A 1.350 179.850 20 181.2 43.6 3.040E-05 3322756556.10937 9.40 171.8 171.8 32.520 212.370 183.078 -55.6 241.2 145.6 320 1334 C 19 H 6 A 1.400 179.900 20 120.0 72.4 2.117E-05 3322756561.42187 9.40 110.6 110.6 32.520 212.420 183.121 -4.0 258.2 94.0 320 1334 C 19 H 7 A 0.100 180.100 20 282.5 15.9 2.369E-05 3322757568.29687 9.40 273.1 -86.9 32.520 212.620 183.293 4.2 145.6 85.8 320 1334 C 19 H 7 A 0.150 180.150 20 230.8 20.1 1.696E-05 3322757573.62500 9.40 221.4 221.4 32.520 212.670 183.336 -44.9 161.4 134.9 320 1334 C 19 H 7 A 0.200 180.200 20 290.8 60.2 1.110E-05 3322757578.95312 9.40 281.4 -78.6 32.520 212.720 183.379 13.8 178.5 76.2 320 1334 C 19 H 7 A 0.250 180.250 20 289.1 12.7 2.401E-05 3322757584.28125 9.40 279.7 -80.3 32.520 212.770 183.422 10.5 143.1 79.6 320 1334 C 19 H 7 A 0.300 180.300 20 269.9 4.9 2.772E-05 3322757589.60937 9.40 260.5 260.5 32.520 212.820 183.466 -9.1 141.8 99.1 320 1334 C 19 H 7 A 0.350 180.350 20 170.7 4.3 6.280E-05 3322757594.93750 9.40 161.3 161.3 32.520 212.870 183.509 -68.8 290.2 158.8 320 1334 C 19 H 7 A 0.400 180.400 20 114.2 -18.3 7.709E-05 3322757600.25000 9.40 104.8 104.8 32.520 212.920 183.552 -15.8 325.6 105.8 320 1334 C 19 H 7 A 0.450 180.450 20 57.8 -40.8 4.293E-05 3322757605.57812 9.40 48.4 48.4 32.520 212.970 183.595 33.3 352.8 56.7 320 1334 C 19 H 7 A 0.500 180.500 20 136.8 -33.6 5.389E-05 3322757610.90625 9.40 127.4 127.4 32.520 213.020 183.638 -37.9 335.1 127.9 320 1334 C 19 H 7 A 0.550 180.550 20 320.9 -24.0 5.816E-05 3322757616.23437 9.40 311.5 -48.5 32.520 213.070 183.681 37.6 115.4 52.4 320 1334 C 19 H 7 A 0.600 180.600 20 336.7 -4.3 5.673E-05 3322757621.56250 9.40 327.3 -32.7 32.520 213.120 183.724 55.8 122.1 34.2 320 1334 C 20 H 1 A 0.100 180.600 20 338.1 43.6 1.293E-05 3322758550.28125 69.30 268.8 268.8 33.770 214.370 184.802 2.4 163.4 87.6 320 1334 C 20 H 1 A 0.150 180.650 20 72.1 50.0 2.079E-05 3322758555.60937 69.30 2.8 2.8 33.770 214.420 184.845 67.1 234.2 22.9 320 1334 C 20 H 1 A 0.200 180.700 20 6.3 27.9 4.670E-05 3322758560.92187 69.30 297.0 -63.0 33.770 214.470 184.888 28.1 150.6 62.0 320 1334 C 20 H 1 A 0.250 180.750 20 48.6 41.0 4.775E-05 3322758566.25000 69.30 339.3 -20.7 33.770 214.520 184.931 64.8 178.4 25.2 320 1334 C 20 H 1 A 0.300 180.800 20 35.7 33.4 5.230E-05 3322758571.57812 69.30 326.4 -33.6 33.770 214.570 184.974 55.8 158.9 34.2 320 1334 C 20 H 1 A 0.350 180.850 20 62.6 42.8 2.653E-05 3322758576.90625 69.30 353.3 -6.7 33.770 214.620 185.017 72.0 208.0 18.0 320 1334 C 20 H 1 A 0.400 180.900 20 120.5 6.7 6.973E-05 3322758582.23437 69.30 51.2 51.2 33.770 214.670 185.060 38.9 320.2 51.1 320 1334 C 20 H 1 A 0.450 180.950 20 126.0 34.8 1.017E-04 3322758587.54687 69.30 56.7 56.7 33.770 214.720 185.103 34.0 300.3 56.0 320 1334 C 20 H 1 A 0.500 181.000 20 194.1 62.3 5.550E-05 3322758592.87500 69.30 124.8 124.8 33.770 214.770 185.147 -18.3 266.8 108.3 320 1334 C 20 H 1 A 0.550 181.050 20 42.6 52.0 3.395E-05 3322758598.20312 69.30 333.3 -26.7 33.770 214.820 185.190 55.1 186.6 34.9 320 1334 C 20 H 1 A 0.600 181.100 20 52.9 17.3 5.479E-05 3322758603.53125 69.30 343.6 -16.4 33.770 214.870 185.233 73.8 142.2 16.2 320 1334 C 20 H 1 A 0.650 181.150 20 69.8 24.0 5.321E-05 3322758608.85937 69.30 0.5 0.5 33.770 214.920 185.276 85.4 234.2 4.6 320 1334 C 20 H 1 A 0.700 181.200 20 32.9 5.8 8.644E-05 3322758614.18750 69.30 323.6 -36.4 33.770 214.970 185.319 53.4 132.1 36.6 320 1334 C 20 H 1 A 0.750 181.250 20 355.5 62.1 2.338E-05 3322758619.50000 69.30 286.2 -73.8 33.770 215.020 185.362 17.2 181.1 72.8 320 1334 C 20 H 1 A 0.800 181.300 20 319.7 84.4 2.406E-05 3322758624.82812 69.30 250.4 250.4 33.770 215.070 185.405 4.2 217.6 85.8 320 1334 C 20 H 1 A 0.850 181.350 20 343.6 58.3 3.969E-05 3322758630.15625 69.30 274.3 -85.7 33.770 215.120 185.448 8.4 176.5 81.7 320 1334 C 20 H 1 A 0.900 181.400 20 44.5 47.9 6.064E-05 3322758635.48437 69.30 335.2 -24.8 33.770 215.170 185.491 58.6 183.2 31.4 320 1334 C 20 H 1 A 0.950 181.450 20 50.0 51.0 5.417E-05 3322758640.81250 69.30 340.7 -19.3 33.770 215.220 185.534 60.3 193.5 29.7 320 1334 C 20 H 1 A 1.000 181.500 20 107.5 49.8 3.565E-05 3322758646.12500 69.30 38.2 38.2 33.770 215.270 185.578 47.8 280.4 42.2 320 1334 C 20 H 1 A 1.050 181.550 20 51.6 20.0 3.259E-05 3322758651.45312 69.30 342.3 -17.7 33.770 215.320 185.621 72.4 146.9 17.6 320 1334 C 20 H 1 A 1.100 181.600 20 33.5 21.1 3.545E-05 3322758656.82812 69.30 324.2 -35.8 33.770 215.370 185.664 54.6 145.6 35.4 320 1334 C 20 H 1 A 1.150 181.650 20 111.2 43.1 2.086E-05 3322758662.15625 69.30 41.9 41.9 33.770 215.420 185.707 46.6 289.7 43.4 320 1334 C 20 H 1 A 1.200 181.700 20 333.4 39.3 2.438E-05 3322758667.48437 69.30 264.1 264.1 33.770 215.470 185.750 -2.4 160.9 92.4 320 1334 C 20 H 1 A 1.250 181.750 20 82.4 61.3 2.675E-05 3322758672.81250 69.30 13.1 13.1 33.770 215.520 185.793 53.7 244.5 36.3 320 1334 C 20 H 1 A 1.300 181.800 20 164.7 67.1 1.865E-05 3322758678.14062 69.30 95.4 95.4 33.770 215.570 185.836 2.7 268.1 87.4 320 1334 C 20 H 1 A 1.350 181.850 20 79.5 27.3 6.028E-05 3322758683.46875 69.30 10.2 10.2 33.770 215.620 185.879 78.1 284.2 11.9 320 1334 C 20 H 1 A 1.400 181.900 20 351.6 67.5 4.230E-05 3322758688.78125 69.30 282.3 -77.7 33.770 215.670 185.922 14.0 188.1 76.0 320 1334 C 20 H 2 A 0.100 182.100 20 275.4 16.2 5.293E-05 3322761055.42187 69.30 206.1 206.1 33.770 215.870 186.095 -59.3 169.5 149.3 320 1334 C 20 H 2 A 0.150 182.150 20 303.3 32.9 3.535E-05 3322761060.75000 69.30 234.0 234.0 33.770 215.920 186.138 -30.7 164.5 120.7 320 1334 C 20 H 2 A 0.200 182.200 20 358.9 61.7 3.640E-05 3322761066.06250 69.30 289.6 -70.4 33.770 215.970 186.181 19.8 180.8 70.2 320 1334 C 20 H 2 A 0.250 182.250 20 96.3 46.1 3.657E-05 3322761071.39062 69.30 27.0 27.0 33.770 216.020 186.224 57.9 277.3 32.1 320 1334 C 20 H 2 A 0.300 182.300 20 29.0 33.9 2.342E-05 3322761076.71875 69.30 319.7 -40.3 33.770 216.070 186.267 49.5 157.3 40.5 320 1334 C 20 H 2 A 0.350 182.350 20 110.4 41.7 1.258E-05 3322761082.04687 69.30 41.1 41.1 33.770 216.120 186.310 47.6 290.9 42.4 320 1334 C 20 H 2 A 0.400 182.400 20 328.1 45.3 8.984E-06 3322761087.35937 69.30 258.8 258.8 33.770 216.170 186.353 -6.3 166.3 96.3 320 1334 C 20 H 2 A 0.450 182.450 20 341.9 17.8 2.393E-05 3322761092.68750 69.30 272.6 -87.4 33.770 216.220 186.397 3.8 146.7 86.2 320 1334 C 20 H 2 A 0.500 182.500 20 263.2 -1.8 3.169E-05 3322761098.01562 69.30 193.9 193.9 33.770 216.270 186.440 -74.4 164.5 164.4 320 1334 C 20 H 2 A 0.550 182.550 20 150.4 -12.0 1.053E-04 3322761103.34375 69.30 81.1 81.1 33.770 216.320 186.483 7.9 325.3 82.1 320 1334 C 20 H 2 A 0.600 182.600 20 118.9 14.7 8.574E-05 3322761108.65625 69.30 49.6 49.6 33.770 216.370 186.526 40.9 315.0 49.1 320 1334 C 20 H 2 A 0.650 182.650 20 79.8 52.4 2.892E-05 3322761113.98437 69.30 10.5 10.5 33.770 216.420 186.569 63.2 247.8 26.8 320 1334 C 20 H 2 A 0.700 182.700 20 12.2 49.1 2.383E-05 3322761119.31250 69.30 302.9 -57.1 33.770 216.470 186.612 32.4 168.6 57.6 320 1334 C 20 H 2 A 0.750 182.750 20 18.2 46.4 2.497E-05 3322761124.64062 69.30 308.9 -51.1 33.770 216.520 186.655 38.0 167.1 52.0 320 1334 C 20 H 2 A 0.800 182.800 20 55.1 51.7 2.215E-05 3322761129.96875 69.30 345.8 -14.2 33.770 216.570 186.698 62.3 201.5 27.7 320 1334 C 20 H 2 A 0.850 182.850 20 356.2 73.0 1.719E-05 3322761135.29687 69.30 286.9 -73.1 33.770 216.620 186.741 15.6 196.8 74.4 320 1334 C 20 H 2 A 0.900 182.900 20 313.8 81.9 1.881E-05 3322761140.60937 69.30 244.5 244.5 33.770 216.670 186.784 1.0 213.7 89.0 320 1334 C 20 H 2 A 0.950 182.950 20 40.3 46.7 2.593E-05 3322761145.93750 69.30 331.0 -29.0 33.770 216.720 186.828 56.1 177.8 33.9 320 1334 C 20 H 2 A 1.000 183.000 20 58.7 34.9 4.699E-05 3322761151.26562 69.30 349.4 -10.6 33.770 216.770 186.871 74.8 186.6 15.2 320 1334 C 20 H 2 A 1.050 183.050 20 120.8 44.5 5.105E-05 3322761156.59375 69.30 51.5 51.5 33.770 216.820 186.914 37.9 291.0 52.1 320 1334 C 20 H 2 A 1.100 183.100 20 210.0 46.6 3.864E-05 3322761161.92187 69.30 140.7 140.7 33.770 216.870 186.957 -37.8 273.1 127.8 320 1334 C 20 H 2 A 1.150 183.150 20 228.1 64.1 2.771E-05 3322761167.23437 69.30 158.8 158.8 33.770 216.920 187.000 -32.9 245.5 122.9 320 1334 C 20 H 2 A 1.200 183.200 20 103.5 61.9 2.165E-05 3322761172.68750 69.30 34.2 34.2 33.770 216.970 187.043 43.9 262.7 46.1 320 1334 C 20 H 2 A 1.250 183.250 20 44.6 30.7 1.943E-05 3322761178.01562 69.30 335.3 -24.7 33.770 217.020 187.086 64.4 159.9 25.6 320 1334 C 20 H 2 A 1.300 183.300 20 157.1 -13.8 4.695E-05 3322761183.34375 69.30 87.8 87.8 33.770 217.070 187.129 1.2 325.3 88.8 320 1334 C 20 H 2 A 1.350 183.350 20 240.6 -29.0 9.403E-05 3322761188.65625 69.30 171.3 171.3 33.770 217.120 187.172 -78.7 0.2 168.7 320 1334 C 20 H 2 A 1.400 183.400 20 306.6 -15.9 3.571E-05 3322761193.98437 69.30 237.3 237.3 33.770 217.170 187.216 -33.3 133.6 123.3 320 1334 C 20 H 3 A 0.100 183.600 20 105.3 26.6 1.557E-05 3322761858.51562 69.30 36.0 36.0 33.770 217.370 187.388 54.2 305.1 35.8 320 1334 C 20 H 3 A 0.150 183.650 20 190.6 -0.8 5.244E-05 3322761863.84375 69.30 121.3 121.3 33.770 217.420 187.431 -31.0 313.7 121.0 320 1334 C 20 H 3 A 0.200 183.700 20 318.0 -49.0 4.612E-05 3322761869.17187 69.30 248.7 248.7 33.770 217.470 187.474 -22.4 108.9 112.4 320 1334 C 20 H 3 A 0.250 183.750 20 41.8 -16.6 2.791E-05 3322761874.50000 69.30 332.5 -27.5 33.770 217.520 187.517 58.0 107.6 32.0 320 1334 C 20 H 3 A 0.300 183.800 20 137.3 22.2 3.367E-05 3322761879.82812 69.30 68.0 68.0 33.770 217.570 187.560 23.0 308.8 67.0 320 1334 C 20 H 3 A 0.350 183.850 20 105.2 20.8 2.354E-05 3322761885.15625 69.30 35.9 35.9 33.770 217.620 187.603 54.5 310.7 35.5 320 1334 C 20 H 3 A 0.400 183.900 20 88.7 23.7 2.826E-05 3322761890.46875 69.30 19.4 19.4 33.770 217.670 187.647 70.4 303.5 19.6 320 1334 C 20 H 3 A 0.450 183.950 20 317.3 77.2 2.549E-05 3322761895.79687 69.30 248.0 248.0 33.770 217.720 187.690 -1.5 205.5 91.5 320 1334 C 20 H 3 A 0.500 184.000 20 143.9 72.1 3.815E-05 3322761901.12500 69.30 74.6 74.6 33.770 217.770 187.733 15.1 260.8 75.0 320 1334 C 20 H 3 A 0.550 184.050 20 88.7 61.7 3.708E-05 3322761906.45312 69.30 19.4 19.4 33.770 217.820 187.776 51.2 250.9 38.8 320 1334 C 20 H 3 A 0.600 184.100 20 79.0 15.6 4.235E-05 3322761911.76562 69.30 9.7 9.7 33.770 217.870 187.819 80.4 317.7 9.6 320 1334 C 20 H 3 A 0.650 184.150 20 58.1 -3.1 1.244E-04 3322761917.09375 69.30 348.8 -11.2 33.770 217.920 187.862 75.3 98.0 14.7 320 1334 C 20 H 3 A 0.700 184.200 20 48.8 -1.1 6.661E-05 3322761922.42187 69.30 339.5 -20.5 33.770 217.970 187.905 67.9 116.3 22.2 320 1334 C 20 H 3 A 0.750 184.250 20 30.3 34.9 1.673E-05 3322761927.75000 69.30 321.0 -39.0 33.770 218.020 187.948 50.6 158.7 39.4 320 1334 C 20 H 3 A 0.800 184.300 20 86.4 36.5 1.829E-05 3322761933.07812 69.30 17.1 17.1 33.770 218.070 187.991 69.4 279.6 20.6 320 1334 C 20 H 3 A 0.850 184.350 20 28.4 30.5 3.160E-05 3322761938.40625 69.30 319.1 -40.9 33.770 218.120 188.034 49.2 153.9 40.8 320 1334 C 20 H 3 A 0.900 184.400 20 69.0 17.0 2.953E-05 3322761943.73437 69.30 359.7 -0.3 33.770 218.170 188.078 89.3 204.8 0.8 320 1334 C 20 H 3 A 0.950 184.450 20 60.0 14.7 2.905E-05 3322761949.04687 69.30 350.7 -9.3 33.770 218.220 188.121 80.8 135.4 9.2 320 1334 C 20 H 3 A 1.000 184.500 20 91.8 19.0 2.896E-05 3322761954.37500 69.30 22.5 22.5 33.770 218.270 188.164 67.7 311.8 22.3 320 1334 C 20 H 3 A 1.050 184.550 20 91.5 37.9 3.252E-05 3322761959.70312 69.30 22.2 22.2 33.770 218.320 188.207 64.8 283.9 25.2 320 1334 C 20 H 3 A 1.100 184.600 20 352.4 37.1 7.232E-05 3322761965.03125 69.30 283.1 -76.9 33.770 218.370 188.250 15.0 157.4 75.0 320 1334 C 20 H 3 A 1.150 184.650 20 43.4 21.8 9.747E-05 3322761970.35937 69.30 334.1 -25.9 33.770 218.420 188.293 64.3 147.5 25.7 320 1334 C 20 H 3 A 1.200 184.700 20 136.8 -6.8 7.995E-05 3322761975.68750 69.30 67.5 67.5 33.770 218.470 188.336 21.7 325.0 68.3 320 1334 C 20 H 3 A 1.250 184.750 20 123.1 -2.0 6.845E-05 3322761981.00000 69.30 53.8 53.8 33.770 218.520 188.379 35.6 325.1 54.4 320 1334 C 20 H 3 A 1.300 184.800 20 92.8 38.5 2.301E-05 3322761986.32812 69.30 23.5 23.5 33.770 218.570 188.422 63.5 284.3 26.5 320 1334 C 20 H 3 A 1.350 184.850 20 32.1 44.9 2.610E-05 3322761991.65625 69.30 322.8 -37.2 33.770 218.620 188.466 50.2 170.4 39.8 320 1334 C 20 H 3 A 1.400 184.900 20 88.2 29.2 3.553E-05 3322761996.98437 69.30 18.9 18.9 33.770 218.670 188.509 70.0 293.9 20.0 320 1334 C 20 H 4 A 0.100 185.100 20 346.1 35.6 2.775E-05 3322762671.28125 69.30 276.8 -83.2 33.770 218.870 188.681 9.1 156.8 81.0 320 1334 C 20 H 4 A 0.150 185.150 20 69.5 24.5 9.574E-05 3322762676.59375 69.30 0.2 0.2 33.770 218.920 188.724 85.2 230.3 4.8 320 1334 C 20 H 4 A 0.200 185.200 20 65.9 77.8 1.296E-04 3322762681.92187 69.30 356.6 -3.4 33.770 218.970 188.767 31.3 226.5 58.7 320 1334 C 20 H 4 A 0.250 185.250 20 253.4 56.0 9.738E-05 3322762687.25000 69.30 184.1 184.1 33.770 219.020 188.810 -45.3 223.3 135.3 320 1334 C 20 H 4 A 0.300 185.300 20 72.1 41.8 4.753E-05 3322762692.57812 69.30 2.8 2.8 33.770 219.070 188.853 73.7 237.2 16.3 320 1334 C 20 H 4 A 0.350 185.350 20 66.5 28.0 4.938E-05 3322762697.89062 69.30 357.2 -2.8 33.770 219.120 188.897 82.6 206.6 7.4 320 1334 C 20 H 4 A 0.400 185.400 20 47.0 32.7 4.061E-05 3322762703.21875 69.30 337.7 -22.3 33.770 219.170 188.940 66.2 164.5 23.8 320 1334 C 20 H 4 A 0.450 185.450 20 17.6 87.8 2.343E-05 3322762708.54687 69.30 308.3 -51.7 33.770 219.220 188.983 10.7 224.5 79.3 320 1334 C 20 H 4 A 0.500 185.500 20 217.5 12.1 6.782E-06 3322762713.87500 69.30 148.2 148.2 33.770 219.270 189.026 -55.3 295.0 145.3 320 1334 C 20 H 4 A 0.550 185.550 20 14.4 49.5 7.330E-06 3322762719.18750 69.30 305.1 -54.9 33.770 219.320 189.069 34.2 169.4 55.8 320 1334 C 20 H 4 A 0.600 185.600 20 203.5 48.3 4.274E-06 3322762724.51562 69.30 134.2 134.2 33.770 219.370 189.112 -32.3 275.7 122.3 320 1334 C 20 H 4 A 0.650 185.650 20 57.4 8.6 4.046E-05 3322762729.82812 69.30 348.1 -11.9 33.770 219.420 189.155 77.6 121.5 12.4 320 1334 C 20 H 4 A 0.700 185.700 20 44.3 24.7 3.884E-05 3322762735.15625 69.30 335.0 -25.0 33.770 219.470 189.198 64.9 151.5 25.1 320 1334 C 20 H 4 A 0.750 185.750 20 63.0 35.2 4.367E-05 3322762740.48437 69.30 353.7 -6.3 33.770 219.520 189.241 77.0 200.5 13.0 320 1334 C 20 H 4 A 0.800 185.800 20 73.0 20.7 5.988E-05 3322762745.81250 69.30 3.7 3.7 33.770 219.570 189.284 85.5 281.3 4.5 320 1334 C 20 H 4 A 0.850 185.850 20 83.3 29.6 3.443E-05 3322762751.14062 69.30 14.0 14.0 33.770 219.620 189.328 74.2 286.9 15.8 320 1334 C 20 H 4 A 0.900 185.900 20 25.8 28.8 3.779E-05 3322762756.46875 69.30 316.5 -43.5 33.770 219.670 189.371 46.9 152.0 43.2 320 1334 C 20 H 4 A 0.950 185.950 20 39.4 48.9 2.939E-05 3322762761.79687 69.30 330.1 -29.9 33.770 219.720 189.414 54.5 179.9 35.5 320 1334 C 20 H 4 A 1.000 186.000 20 91.8 54.0 6.226E-05 3322762767.10937 69.30 22.5 22.5 33.770 219.770 189.457 56.4 262.7 33.6 320 1334 C 20 H 4 A 1.050 186.050 20 85.8 48.1 1.225E-04 3322762772.43750 69.30 16.5 16.5 33.770 219.820 189.500 63.8 262.2 26.2 320 1334 C 20 H 4 A 1.100 186.100 20 63.1 55.0 6.504E-05 3322762777.76562 69.30 353.8 -6.2 33.770 219.870 189.543 61.9 217.3 28.1 320 1334 C 20 H 4 A 1.150 186.150 20 83.0 26.7 6.111E-05 3322762783.09375 69.30 13.7 13.7 33.770 219.920 189.586 75.2 292.4 14.8 320 1334 C 20 H 4 A 1.200 186.200 20 60.2 23.6 5.490E-05 3322762788.42187 69.30 350.9 -9.1 33.770 219.970 189.629 80.1 164.5 9.9 320 1334 C 20 H 4 A 1.250 186.250 20 40.6 76.7 3.918E-05 3322762793.73437 69.30 331.3 -28.7 33.770 220.020 189.672 29.8 214.3 60.2 320 1334 C 20 H 4 A 1.300 186.300 20 155.1 55.4 4.968E-05 3322762799.06250 69.30 85.8 85.8 33.770 220.070 189.716 8.1 282.7 81.9 320 1334 C 20 H 4 A 1.350 186.350 20 87.6 23.4 5.938E-05 3322762804.39062 69.30 18.3 18.3 33.770 220.120 189.759 71.5 303.4 18.5 320 1334 C 20 H 4 A 1.400 186.400 20 79.9 26.1 6.099E-05 3322762809.71875 69.30 10.6 10.6 33.770 220.170 189.802 78.1 288.1 11.9 320 1334 C 20 H 5 A 0.100 186.600 20 227.5 62.5 4.048E-05 3322763444.06250 69.30 158.2 158.2 33.770 220.370 189.974 -34.5 247.0 124.5 320 1334 C 20 H 5 A 0.150 186.650 20 272.2 67.8 3.106E-05 3322763449.39062 69.30 202.9 202.9 33.770 220.420 190.017 -28.0 211.9 118.0 320 1334 C 20 H 5 A 0.200 186.700 20 58.6 52.8 4.962E-05 3322763454.71875 69.30 349.3 -10.7 33.770 220.470 190.060 62.8 208.2 27.2 320 1334 C 20 H 5 A 0.250 186.750 20 342.8 67.0 6.078E-05 3322763460.03125 69.30 273.5 -86.5 33.770 220.520 190.103 8.4 187.3 81.7 320 1334 C 20 H 5 A 0.300 186.800 20 245.0 58.0 4.142E-05 3322763465.35937 69.30 175.7 175.7 33.770 220.570 190.147 -43.2 232.6 133.2 320 1334 C 20 H 5 A 0.350 186.850 20 216.7 45.7 2.983E-05 3322763470.68750 69.30 147.4 147.4 33.770 220.620 190.190 -42.8 268.8 132.8 320 1334 C 20 H 5 A 0.400 186.900 20 268.0 39.6 3.696E-05 3322763476.01562 69.30 198.7 198.7 33.770 220.670 190.233 -54.5 197.4 144.5 320 1334 C 20 H 5 A 0.450 186.950 20 265.7 54.9 4.622E-05 3322763481.34375 69.30 196.4 196.4 33.770 220.720 190.276 -43.9 209.4 133.9 320 1334 C 20 H 5 A 0.500 187.000 20 235.6 67.6 3.909E-05 3322763486.67187 69.30 166.3 166.3 33.770 220.770 190.319 -30.3 238.1 120.3 320 1334 C 20 H 5 A 0.550 187.050 20 212.1 83.3 3.422E-05 3322763492.00000 69.30 142.8 142.8 33.770 220.820 190.362 -2.6 236.0 92.6 320 1334 C 20 H 5 A 0.600 187.100 20 225.9 64.2 3.682E-05 3322763497.31250 69.30 156.6 156.6 33.770 220.870 190.405 -32.1 247.1 122.1 320 1334 C 20 H 5 A 0.650 187.150 20 144.0 69.2 4.020E-05 3322763502.64062 69.30 74.7 74.7 33.770 220.920 190.448 15.6 265.3 74.4 320 1334 C 20 H 5 A 0.700 187.200 20 108.2 57.3 4.372E-05 3322763507.96875 69.30 38.9 38.9 33.770 220.970 190.491 43.9 271.5 46.1 320 1334 C 20 H 5 A 0.750 187.250 20 61.6 81.1 3.475E-05 3322763513.29687 69.30 352.3 -7.7 33.770 221.020 190.534 25.2 225.5 64.8 320 1334 C 20 H 5 A 0.800 187.300 20 296.9 73.7 2.671E-05 3322763518.62500 69.30 227.6 227.6 33.770 221.070 190.578 -12.5 205.6 102.5 320 1334 C 20 H 5 A 0.850 187.350 20 138.5 78.2 2.622E-05 3322763523.93750 69.30 69.2 69.2 33.770 221.120 190.621 15.3 250.0 74.7 320 1334 C 20 H 5 A 0.900 187.400 20 305.9 52.4 3.467E-05 3322763529.26562 69.30 236.6 236.6 33.770 221.170 190.664 -22.4 178.8 112.4 320 1334 C 20 H 5 A 0.950 187.450 20 299.3 55.4 3.125E-05 3322763534.59375 69.30 230.0 230.0 33.770 221.220 190.707 -25.7 184.5 115.7 320 1334 C 20 H 5 A 1.000 187.500 20 110.8 86.4 1.857E-05 3322763539.90625 69.30 41.5 41.5 33.770 221.270 190.750 13.3 232.9 76.7 320 1334 C 20 H 5 A 1.050 187.550 20 197.4 52.6 2.544E-05 3322763545.23437 69.30 128.1 128.1 33.770 221.320 190.793 -25.8 275.0 115.8 320 1334 C 20 H 5 A 1.100 187.600 20 280.8 71.8 2.942E-05 3322763550.56250 69.30 211.5 211.5 33.770 221.370 190.836 -20.3 210.2 110.3 320 1334 C 20 H 5 A 1.150 187.650 20 263.4 59.6 2.378E-05 3322763555.89062 69.30 194.1 194.1 33.770 221.420 190.879 -39.9 214.1 129.9 320 1334 C 20 H 5 A 1.200 187.700 20 298.0 42.6 2.751E-05 3322763561.21875 69.30 228.7 228.7 33.770 221.470 190.922 -32.4 174.1 122.4 320 1334 C 20 H 5 A 1.250 187.750 20 214.7 55.9 2.917E-05 3322763566.53125 69.30 145.4 145.4 33.770 221.520 190.966 -35.0 261.9 125.0 320 1334 C 20 H 5 A 1.300 187.800 20 235.2 50.1 2.452E-05 3322763571.85937 69.30 165.9 165.9 33.770 221.570 191.009 -48.8 246.6 138.8 320 1334 C 20 H 5 A 1.350 187.850 20 276.1 33.6 3.270E-05 3322763577.18750 69.30 206.8 206.8 33.770 221.620 191.052 -52.7 183.2 142.7 320 1334 C 20 H 5 A 1.400 187.900 20 234.9 50.1 3.544E-05 3322763582.51562 69.30 165.6 165.6 33.770 221.670 191.095 -48.7 246.9 138.7 320 1334 C 20 H 6 A 0.100 188.100 20 65.4 30.3 2.812E-05 3322764245.81250 69.30 356.1 -3.9 33.770 221.870 191.267 80.9 203.7 9.1 320 1334 C 20 H 6 A 0.150 188.150 20 25.0 49.4 1.951E-05 3322764251.14062 69.30 315.7 -44.3 33.770 221.920 191.310 43.0 172.4 47.0 320 1334 C 20 H 6 A 0.200 188.200 20 37.3 42.1 2.402E-05 3322764256.45312 69.30 328.0 -32.0 33.770 221.970 191.353 55.4 169.9 34.7 320 1334 C 20 H 6 A 0.250 188.250 20 69.0 32.9 2.601E-05 3322764261.78125 69.30 359.7 -0.3 33.770 222.020 191.397 80.1 226.4 9.9 320 1334 C 20 H 6 A 0.300 188.300 20 48.2 24.0 3.045E-05 3322764267.10937 69.30 338.9 -21.1 33.770 222.070 191.440 68.8 152.2 21.2 320 1334 C 20 H 6 A 0.350 188.350 20 68.3 41.3 2.384E-05 3322764272.43750 69.30 359.0 -1.0 33.770 222.120 191.483 74.3 224.7 15.7 320 1334 C 20 H 6 A 0.400 188.400 20 99.8 38.2 3.319E-05 3322764277.76562 69.30 30.5 30.5 33.770 222.170 191.526 57.7 290.0 32.3 320 1334 C 20 H 6 A 0.450 188.450 20 41.6 42.2 3.571E-05 3322764283.09375 69.30 332.3 -27.7 33.770 222.220 191.569 58.9 173.1 31.1 320 1334 C 20 H 6 A 0.500 188.500 20 67.0 31.3 4.030E-05 3322764288.42187 69.30 357.7 -2.3 33.770 222.270 191.612 80.8 214.1 9.2 320 1334 C 20 H 6 A 0.550 188.550 20 88.5 30.8 3.909E-05 3322764293.73437 69.30 19.2 19.2 33.770 222.320 191.655 69.4 291.6 20.6 320 1334 C 20 H 6 A 0.600 188.600 20 49.0 32.0 3.474E-05 3322764299.06250 69.30 339.7 -20.3 33.770 222.370 191.698 68.1 165.3 21.9 320 1334 C 20 H 6 A 0.650 188.650 20 89.9 31.6 3.711E-05 3322764304.39062 69.30 20.6 20.6 33.770 222.420 191.741 68.0 291.7 22.0 320 1334 C 20 H 6 A 0.700 188.700 20 56.6 24.3 2.961E-05 3322764309.71875 69.30 347.3 -12.7 33.770 222.470 191.784 76.7 159.8 13.4 320 1334 C 20 H 6 A 0.750 188.750 20 32.9 32.7 2.255E-05 3322764315.04687 69.30 323.6 -36.4 33.770 222.520 191.828 53.3 157.2 36.7 320 1334 C 20 H 6 A 0.800 188.800 20 27.0 56.7 2.019E-05 3322764320.37500 69.30 317.7 -42.3 33.770 222.570 191.871 41.8 182.1 48.2 320 1334 C 20 H 6 A 0.850 188.850 20 82.9 53.0 2.604E-05 3322764325.70312 69.30 13.6 13.6 33.770 222.620 191.914 61.5 252.3 28.5 320 1334 C 20 H 6 A 0.900 188.900 20 84.8 26.9 4.282E-05 3322764331.01562 69.30 15.5 15.5 33.770 222.670 191.957 73.6 294.4 16.4 320 1334 C 20 H 6 A 0.950 188.950 20 55.6 27.8 4.153E-05 3322764336.34375 69.30 346.3 -13.7 33.770 222.720 192.000 75.0 166.0 15.0 320 1334 C 20 H 6 A 1.000 189.000 20 107.0 35.8 3.021E-05 3322764341.67187 69.30 37.7 37.7 33.770 222.770 192.043 51.7 296.0 38.4 320 1334 C 20 H 6 A 1.050 189.050 20 68.6 32.2 2.198E-05 3322764347.00000 69.30 359.3 -0.7 33.770 222.820 192.086 80.5 224.0 9.5 320 1334 C 20 H 6 A 1.100 189.100 20 44.2 40.4 2.634E-05 3322764352.32812 69.30 334.9 -25.1 33.770 222.870 192.129 61.6 172.9 28.4 320 1334 C 20 H 6 A 1.150 189.150 20 87.8 51.7 2.683E-05 3322764357.65625 69.30 18.5 18.5 33.770 222.920 192.172 60.2 260.7 29.8 320 1334 C 20 H 6 A 1.200 189.200 20 71.3 43.3 3.438E-05 3322764362.96875 69.30 2.0 2.0 33.770 222.970 192.216 72.7 234.1 17.3 320 1334 C 20 H 6 A 1.250 189.250 20 79.9 26.4 3.352E-05 3322764368.29687 69.30 10.6 10.6 33.770 223.020 192.259 78.0 287.4 12.0 320 1334 C 20 H 6 A 1.300 189.300 20 72.7 32.0 3.362E-05 3322764373.62500 69.30 3.4 3.4 33.770 223.070 192.302 80.1 247.2 9.9 320 1334 C 20 H 6 A 1.350 189.350 20 36.4 37.5 3.535E-05 3322764378.95312 69.30 327.1 -32.9 33.770 223.120 192.345 55.7 163.9 34.3 320 1334 C 20 H 6 A 1.400 189.400 20 85.5 30.1 3.656E-05 3322764384.28125 69.30 16.2 16.2 33.770 223.170 192.388 72.2 289.2 17.8 320 1334 C 20 H 7 A 0.100 189.600 20 89.3 5.9 2.795E-04 3322765407.78125 69.30 20.0 20.0 33.770 223.370 192.560 69.5 331.1 20.5 320 1334 C 20 H 7 A 0.150 189.650 20 91.0 5.6 3.178E-04 3322765413.10937 69.30 21.7 21.7 33.770 223.420 192.603 67.8 330.4 22.2 320 1334 C 20 H 7 A 0.200 189.700 20 69.0 8.0 3.955E-04 3322765418.43750 69.30 359.7 -0.3 33.770 223.470 192.647 86.0 52.3 4.0 320 1334 C 20 H 7 A 0.250 189.750 20 74.8 5.2 4.697E-04 3322765423.75000 69.30 5.5 5.5 33.770 223.520 192.690 82.3 2.3 7.7 320 1334 C 20 H 7 A 0.300 189.800 20 92.6 2.8 4.011E-04 3322765429.07812 69.30 23.3 23.3 33.770 223.570 192.733 65.9 332.7 24.1 320 1334 C 20 H 7 A 0.350 189.850 20 86.3 -1.1 4.587E-04 3322765434.40625 69.30 17.0 17.0 33.770 223.620 192.776 71.0 344.0 19.0 320 1334 C 20 H 7 A 0.400 189.900 20 67.6 -6.7 1.049E-03 3322765439.73437 69.30 358.3 -1.7 33.770 223.670 192.819 78.5 56.6 11.5 320 1334 C 21 H 1 A 0.100 190.100 20 131.1 23.6 6.088E-05 3322766905.90625 162.50 328.6 -31.4 34.200 224.300 193.362 58.8 148.6 31.2 320 1334 C 21 H 1 A 0.150 190.150 20 159.4 32.0 3.659E-05 3322766911.21875 162.50 356.9 -3.1 34.200 224.350 193.405 80.2 210.4 9.8 320 1334 C 21 H 1 A 0.200 190.200 20 230.5 18.5 5.124E-05 3322766916.54687 162.50 68.0 68.0 34.200 224.400 193.448 22.9 311.1 67.1 320 1334 C 21 H 1 A 0.250 190.250 20 230.1 22.7 3.529E-05 3322766921.87500 162.50 67.6 67.6 34.200 224.450 193.491 23.4 308.6 66.6 320 1334 C 21 H 1 A 0.300 190.300 20 220.3 83.6 2.578E-05 3322766927.20312 162.50 57.8 57.8 34.200 224.500 193.534 14.6 239.1 75.5 320 1334 C 21 H 1 A 0.350 190.350 20 180.4 61.8 3.143E-05 3322766932.53125 162.50 17.9 17.9 34.200 224.550 193.578 51.6 249.3 38.4 320 1334 C 21 H 1 A 0.400 190.400 20 179.6 38.4 3.999E-05 3322766937.84375 162.50 17.1 17.1 34.200 224.600 193.621 68.6 276.6 21.4 320 1334 C 21 H 1 A 0.450 190.450 20 151.2 73.9 2.864E-05 3322766943.17187 162.50 348.7 -11.3 34.200 224.650 193.664 37.3 221.0 52.7 320 1334 C 21 H 1 A 0.500 190.500 20 142.5 48.1 2.784E-05 3322766948.50000 162.50 340.0 -20.0 34.200 224.700 193.707 61.7 188.9 28.3 320 1334 C 21 H 1 A 0.550 190.550 20 131.2 40.3 2.911E-05 3322766953.82812 162.50 328.7 -31.3 34.200 224.750 193.750 56.4 168.1 33.6 320 1334 C 21 H 1 A 0.600 190.600 20 145.1 63.8 1.780E-05 3322766959.15625 162.50 342.6 -17.4 34.200 224.800 193.793 49.6 209.1 40.4 320 1334 C 21 H 1 A 0.650 190.650 20 155.7 27.4 3.692E-05 3322766964.46875 162.50 353.2 -6.8 34.200 224.850 193.836 80.7 183.0 9.3 320 1334 C 21 H 1 A 0.700 190.700 20 144.5 31.4 3.234E-05 3322766969.79687 162.50 342.0 -18.0 34.200 224.900 193.879 70.3 166.8 19.7 320 1334 C 21 H 1 A 0.750 190.750 20 145.4 58.2 2.980E-05 3322766975.12500 162.50 342.9 -17.1 34.200 224.950 193.922 55.5 204.2 34.5 320 1334 C 21 H 1 A 0.800 190.800 20 155.0 44.2 4.354E-05 3322766980.45312 162.50 352.5 -7.5 34.200 225.000 193.966 70.7 207.2 19.3 320 1334 C 21 H 1 A 0.850 190.850 20 134.6 41.0 3.475E-05 3322766985.78125 162.50 332.1 -27.9 34.200 225.050 194.009 59.1 171.3 30.9 320 1334 C 21 H 1 A 0.900 190.900 20 69.9 57.7 3.329E-05 3322766991.09375 162.50 267.4 267.4 34.200 225.100 194.052 2.9 176.4 87.1 320 1334 C 21 H 1 A 0.950 190.950 20 218.1 54.7 3.736E-05 3322766996.42187 162.50 55.6 55.6 34.200 225.150 194.095 32.5 281.1 57.5 320 1334 C 21 H 1 A 1.000 191.000 20 198.1 42.8 2.858E-05 3322767001.75000 162.50 35.6 35.6 34.200 225.200 194.138 52.1 287.4 37.9 320 1334 C 21 H 1 A 1.050 191.050 20 164.1 17.6 4.159E-05 3322767007.06250 162.50 1.6 1.6 34.200 225.250 194.181 88.1 285.3 1.9 320 1334 C 21 H 1 A 1.100 191.100 20 166.6 29.1 3.629E-05 3322767012.39062 162.50 4.1 4.1 34.200 225.300 194.224 81.5 255.6 8.6 320 1334 C 21 H 1 A 1.150 191.150 20 161.3 42.6 3.158E-05 3322767017.71875 162.50 358.8 -1.2 34.200 225.350 194.267 73.3 224.2 16.7 320 1334 C 21 H 1 A 1.200 191.200 20 150.7 42.9 3.898E-05 3322767023.04687 162.50 348.2 -11.8 34.200 225.400 194.310 69.7 195.8 20.3 320 1334 C 21 H 1 A 1.250 191.250 20 149.0 47.3 4.288E-05 3322767028.37500 162.50 346.5 -13.5 34.200 225.450 194.353 65.9 197.8 24.1 320 1334 C 21 H 1 A 1.300 191.300 20 85.9 67.7 5.097E-05 3322767033.68750 162.50 283.4 -76.6 34.200 225.500 194.397 14.7 188.4 75.3 320 1334 C 21 H 1 A 1.350 191.350 20 164.2 73.4 5.519E-05 3322767039.01562 162.50 1.7 1.7 34.200 225.550 194.440 38.8 229.1 51.2 320 1334 C 21 H 1 A 1.400 191.400 20 202.4 73.2 3.838E-05 3322767044.34375 162.50 39.9 39.9 34.200 225.600 194.483 30.8 250.7 59.2 320 1334 C 21 H 2 A 0.075 191.575 20 163.7 27.1 4.634E-05 3322767783.10937 162.50 1.2 1.2 34.200 225.775 194.634 83.5 238.4 6.5 320 1334 C 21 H 2 A 0.100 191.600 20 183.7 20.3 5.723E-05 3322767788.03125 162.50 21.2 21.2 34.200 225.800 194.655 68.9 309.6 21.1 320 1334 C 21 H 2 A 0.125 191.625 20 206.4 30.5 2.762E-05 3322767792.96875 162.50 43.9 43.9 34.200 225.825 194.677 46.4 302.6 43.6 320 1334 C 21 H 2 A 0.150 191.650 20 227.6 23.0 2.255E-05 3322767797.90625 162.50 65.1 65.1 34.200 225.850 194.698 25.9 308.5 64.1 320 1334 C 21 H 2 A 0.175 191.675 20 192.6 16.5 3.201E-05 3322767802.84375 162.50 30.1 30.1 34.200 225.875 194.720 60.2 315.0 29.8 320 1334 C 21 H 2 A 0.200 191.700 20 87.6 51.1 2.034E-05 3322767807.76562 162.50 285.1 -74.9 34.200 225.900 194.741 17.0 168.9 73.0 320 1334 C 21 H 2 A 0.225 191.725 20 142.1 30.6 4.870E-05 3322767812.70312 162.50 339.6 -20.4 34.200 225.925 194.763 68.4 163.0 21.6 320 1334 C 21 H 2 A 0.250 191.750 20 127.7 29.7 6.687E-05 3322767817.64062 162.50 325.2 -34.8 34.200 225.950 194.784 55.1 154.4 34.9 320 1334 C 21 H 2 A 0.275 191.775 20 131.4 47.0 6.607E-05 3322767822.57812 162.50 328.9 -31.1 34.200 225.975 194.806 54.4 176.6 35.6 320 1334 C 21 H 2 A 0.300 191.800 20 184.9 67.2 6.141E-05 3322767827.50000 162.50 22.4 22.4 34.200 226.000 194.828 44.1 248.0 45.9 320 1334 C 21 H 2 A 0.325 191.825 20 223.3 42.5 6.727E-05 3322767832.43750 162.50 60.8 60.8 34.200 226.025 194.849 29.8 294.2 60.2 320 1334 C 21 H 2 A 0.350 191.850 20 204.2 32.9 5.958E-05 3322767837.37500 162.50 41.7 41.7 34.200 226.050 194.871 48.3 300.0 41.7 320 1334 C 21 H 2 A 0.375 191.875 20 170.3 28.5 5.632E-05 3322767842.29687 162.50 7.8 7.8 34.200 226.075 194.892 79.5 274.1 10.5 320 1334 C 21 H 2 A 0.400 191.900 20 150.2 36.9 4.832E-05 3322767847.23437 162.50 347.7 -12.3 34.200 226.100 194.914 72.7 185.9 17.3 320 1334 C 21 H 2 A 0.425 191.925 20 155.0 28.8 7.520E-05 3322767852.15625 162.50 352.5 -7.5 34.200 226.125 194.935 79.6 183.8 10.4 320 1334 C 21 H 2 A 0.450 191.950 20 143.2 33.4 7.088E-05 3322767857.09375 162.50 340.7 -19.3 34.200 226.150 194.957 68.6 168.6 21.4 320 1334 C 21 H 2 A 0.475 191.975 20 126.4 39.0 4.760E-05 3322767862.03125 162.50 323.9 -36.1 34.200 226.175 194.978 52.6 164.1 37.5 320 1334 C 21 H 2 A 0.500 192.000 20 155.8 24.6 5.439E-05 3322767866.95312 162.50 353.3 -6.7 34.200 226.200 195.000 81.8 175.2 8.2 320 1334 C 21 H 2 A 0.525 192.025 20 151.4 20.2 5.073E-05 3322767871.89062 162.50 348.9 -11.1 34.200 226.225 195.022 78.8 151.4 11.2 320 1334 C 21 H 2 A 0.550 192.050 20 163.6 19.9 5.714E-05 3322767876.82812 162.50 1.1 1.1 34.200 226.250 195.043 87.5 253.6 2.5 320 1334 C 21 H 2 A 0.575 192.075 20 74.1 37.6 3.620E-05 3322767881.75000 162.50 271.6 -88.4 34.200 226.275 195.065 4.4 158.7 85.7 320 1334 C 21 H 2 A 0.600 192.100 20 93.8 45.7 3.607E-05 3322767886.68750 162.50 291.3 -68.7 34.200 226.300 195.086 22.6 164.2 67.4 320 1334 C 21 H 2 A 0.625 192.125 20 88.0 31.4 3.485E-05 3322767891.62500 162.50 285.5 -74.5 34.200 226.325 195.108 17.1 153.4 72.9 320 1334 C 21 H 2 A 0.650 192.150 20 276.1 -12.7 1.555E-05 3322767896.54687 162.50 113.6 113.6 34.200 226.350 195.129 -24.2 321.5 114.2 320 1334 C 21 H 2 A 0.675 192.175 20 265.3 -13.9 1.691E-04 3322767901.48437 162.50 102.8 102.8 34.200 226.375 195.151 -13.6 323.4 103.6 320 1334 C 21 H 2 A 0.700 192.200 20 253.4 -24.8 3.557E-04 3322767906.40625 162.50 90.9 90.9 34.200 226.400 195.172 -2.7 330.8 92.7 320 1334 C 21 H 2 A 0.725 192.225 20 199.5 -58.8 4.351E-04 3322767911.34375 162.50 37.0 37.0 34.200 226.425 195.194 31.4 15.1 58.6 320 1334 C 21 H 2 A 0.750 192.250 20 139.1 -39.3 4.026E-04 3322767916.28125 162.50 336.6 -23.4 34.200 226.450 195.216 52.0 84.7 38.0 320 1334 C 21 H 2 A 0.775 192.275 20 113.3 -17.1 4.094E-04 3322767921.20312 162.50 310.8 -49.2 34.200 226.475 195.237 38.2 120.2 51.8 320 1334 C 21 H 2 A 0.800 192.300 20 109.5 -6.5 1.941E-04 3322767926.14062 162.50 307.0 -53.0 34.200 226.500 195.259 36.0 128.1 54.1 320 1334 C 21 H 2 A 0.825 192.325 20 128.6 79.6 2.269E-04 3322767931.07812 162.50 326.1 -33.9 34.200 226.525 195.280 24.5 215.8 65.6 320 1334 C 21 H 2 A 0.850 192.350 20 181.7 39.4 2.778E-05 3322767936.00000 162.50 19.2 19.2 34.200 226.550 195.302 66.6 278.1 23.4 320 1334 C 21 H 2 A 0.875 192.375 20 152.2 41.4 4.226E-05 3322767940.93750 162.50 349.7 -10.3 34.200 226.575 195.323 71.4 197.2 18.6 320 1334 C 21 H 2 A 0.900 192.400 20 126.7 62.1 4.314E-05 3322767945.85937 162.50 324.2 -35.8 34.200 226.600 195.345 42.8 192.6 47.2 320 1334 C 21 H 2 A 0.925 192.425 20 130.5 68.1 4.356E-05 3322767950.79687 162.50 328.0 -32.0 34.200 226.625 195.366 39.4 202.6 50.6 320 1334 C 21 H 2 A 0.950 192.450 20 188.5 40.6 5.294E-05 3322767955.73437 162.50 26.0 26.0 34.200 226.650 195.388 60.8 283.7 29.2 320 1334 C 21 H 2 A 0.975 192.475 20 200.5 26.0 5.696E-05 3322767960.65625 162.50 38.0 38.0 34.200 226.675 195.409 52.3 305.9 37.7 320 1334 C 21 H 2 A 1.000 192.500 20 182.7 12.9 8.046E-05 3322767965.59375 162.50 20.2 20.2 34.200 226.700 195.431 69.9 320.9 20.1 320 1334 C 21 H 2 A 1.025 192.525 20 177.7 8.6 9.653E-05 3322767970.53125 162.50 15.2 15.2 34.200 226.725 195.453 74.5 330.8 15.6 320 1334 C 21 H 2 A 1.050 192.550 20 175.9 10.9 7.325E-05 3322767975.45312 162.50 13.4 13.4 34.200 226.750 195.474 76.5 327.8 13.5 320 1334 C 21 H 2 A 1.075 192.575 20 166.2 13.6 6.294E-05 3322767980.39062 162.50 3.7 3.7 34.200 226.775 195.496 86.2 334.5 3.8 320 1334 C 21 H 2 A 1.100 192.600 20 147.1 18.7 4.722E-05 3322767985.31250 162.50 344.6 -15.4 34.200 226.800 195.517 74.7 145.2 15.3 320 1334 C 21 H 2 A 1.125 192.625 20 160.3 19.4 4.526E-05 3322767990.25000 162.50 357.8 -2.2 34.200 226.825 195.539 87.1 180.6 2.9 320 1334 C 21 H 2 A 1.150 192.650 20 163.4 22.2 3.268E-05 3322767995.18750 162.50 0.9 0.9 34.200 226.850 195.560 86.4 242.1 3.6 320 1334 C 21 H 2 A 1.175 192.675 20 169.0 26.1 1.941E-05 3322768000.10937 162.50 6.5 6.5 34.200 226.875 195.582 81.4 275.4 8.6 320 1334 C 21 H 2 A 1.200 192.700 20 166.8 6.4 4.636E-05 3322768005.04687 162.50 4.3 4.3 34.200 226.900 195.603 83.6 6.0 6.4 320 1334 C 21 H 2 A 1.225 192.725 20 146.0 2.2 4.999E-05 3322768009.98437 162.50 343.5 -16.5 34.200 226.925 195.625 72.2 116.1 17.8 320 1334 C 21 H 2 A 1.250 192.750 20 127.9 7.3 4.224E-05 3322768014.90625 162.50 325.4 -34.6 34.200 226.950 195.647 55.3 132.9 34.7 320 1334 C 21 H 2 A 1.275 192.775 20 154.9 15.2 4.742E-05 3322768019.84375 162.50 352.4 -7.6 34.200 226.975 195.668 82.5 136.5 7.5 320 1334 C 21 H 2 A 1.300 192.800 20 160.1 23.8 4.339E-05 3322768024.78125 162.50 357.6 -2.4 34.200 227.000 195.690 85.0 200.2 5.0 320 1334 C 21 H 2 A 1.325 192.825 20 174.0 18.3 5.975E-05 3322768029.70312 162.50 11.5 11.5 34.200 227.025 195.711 78.6 310.2 11.5 320 1334 C 21 H 2 A 1.350 192.850 20 177.6 17.2 6.160E-05 3322768034.64062 162.50 15.1 15.1 34.200 227.050 195.733 75.0 313.9 15.0 320 1334 C 21 H 2 A 1.375 192.875 20 162.3 26.4 3.365E-05 3322768039.57812 162.50 359.8 -0.2 34.200 227.075 195.754 84.1 226.2 5.9 320 1334 C 21 H 2 A 1.400 192.900 20 184.0 17.9 4.752E-05 3322768044.50000 162.50 21.5 21.5 34.200 227.100 195.776 68.7 313.3 21.3 320 1334 C 21 H 2 A 1.425 192.925 20 180.8 17.8 5.161E-05 3322768049.43750 162.50 18.3 18.3 34.200 227.125 195.797 71.9 313.1 18.1 320 1334 C 21 H 3 A 0.075 193.075 20 228.6 -43.0 5.957E-05 3322768746.81250 162.50 66.1 66.1 34.200 227.275 195.927 17.8 347.6 72.3 320 1334 C 21 H 3 A 0.100 193.100 20 263.2 -40.4 6.930E-05 3322768751.75000 162.50 100.7 100.7 34.200 227.300 195.948 -12.9 340.0 102.9 320 1334 C 21 H 3 A 0.125 193.125 20 315.6 -30.2 5.703E-05 3322768756.67187 162.50 153.1 153.1 34.200 227.325 195.970 -62.5 338.0 152.5 320 1334 C 21 H 3 A 0.150 193.150 20 292.5 -58.0 1.321E-05 3322768761.60937 162.50 130.0 130.0 34.200 227.350 195.991 -35.7 0.6 125.7 320 1334 C 21 H 3 A 0.175 193.175 20 159.3 2.0 4.393E-05 3322768766.54687 162.50 356.8 -3.2 34.200 227.375 196.013 82.3 72.7 7.7 320 1334 C 21 H 3 A 0.200 193.200 20 133.3 14.8 3.971E-05 3322768771.48437 162.50 330.8 -29.2 34.200 227.400 196.034 61.1 139.1 28.9 320 1334 C 21 H 3 A 0.225 193.225 20 136.2 24.9 3.367E-05 3322768776.40625 162.50 333.7 -26.3 34.200 227.425 196.056 63.7 151.4 26.3 320 1334 C 21 H 3 A 0.250 193.250 20 150.1 23.9 4.078E-05 3322768781.34375 162.50 347.6 -12.4 34.200 227.450 196.078 77.0 159.3 13.0 320 1334 C 21 H 3 A 0.275 193.275 20 175.2 20.8 5.009E-05 3322768786.28125 162.50 12.7 12.7 34.200 227.475 196.099 77.2 304.6 12.8 320 1334 C 21 H 3 A 0.300 193.300 20 172.1 27.4 3.908E-05 3322768791.20312 162.50 9.6 9.6 34.200 227.500 196.121 78.6 282.4 11.5 320 1334 C 21 H 3 A 0.325 193.325 20 162.8 21.6 5.527E-05 3322768796.14062 162.50 0.3 0.3 34.200 227.525 196.142 86.8 233.3 3.2 320 1334 C 21 H 3 A 0.350 193.350 20 154.1 30.3 4.150E-05 3322768801.06250 162.50 351.6 -8.4 34.200 227.550 196.164 78.3 184.1 11.7 320 1334 C 21 H 3 A 0.375 193.375 20 167.0 30.4 3.785E-05 3322768806.00000 162.50 4.5 4.5 34.200 227.575 196.185 80.6 255.4 9.4 320 1334 C 21 H 3 A 0.400 193.400 20 170.5 24.0 4.506E-05 3322768810.93750 162.50 8.0 8.0 34.200 227.600 196.207 80.9 287.3 9.1 320 1334 C 21 H 3 A 0.425 193.425 20 180.2 19.0 5.032E-05 3322768815.85937 162.50 17.7 17.7 34.200 227.625 196.228 72.4 310.9 17.6 320 1334 C 21 H 3 A 0.450 193.450 20 177.5 35.7 2.902E-05 3322768820.79687 162.50 15.0 15.0 34.200 227.650 196.250 71.3 277.5 18.7 320 1334 C 21 H 3 A 0.475 193.475 20 119.8 67.5 2.163E-05 3322768825.73437 162.50 317.3 -42.7 34.200 227.675 196.272 34.9 196.2 55.2 320 1334 C 21 H 3 A 0.500 193.500 20 147.3 48.6 2.786E-05 3322768830.65625 162.50 344.8 -15.2 34.200 227.700 196.293 64.2 196.5 25.9 320 1334 C 21 H 3 A 0.525 193.525 20 150.8 27.2 4.036E-05 3322768835.59375 162.50 348.3 -11.7 34.200 227.725 196.315 76.9 168.3 13.1 320 1334 C 21 H 3 A 0.550 193.550 20 179.6 27.5 4.316E-05 3322768840.53125 162.50 17.1 17.1 34.200 227.750 196.336 72.0 295.0 18.0 320 1334 C 21 H 3 A 0.575 193.575 20 77.9 59.4 1.841E-05 3322768845.45312 162.50 275.4 -84.6 34.200 227.775 196.358 9.3 177.6 80.7 320 1334 C 21 H 3 A 0.600 193.600 20 181.5 49.8 2.193E-05 3322768850.39062 162.50 19.0 19.0 34.200 227.800 196.379 61.3 263.7 28.8 320 1334 C 21 H 3 A 0.625 193.625 20 162.9 36.4 3.167E-05 3322768855.32812 162.50 0.4 0.4 34.200 227.825 196.401 77.8 229.8 12.2 320 1334 C 21 H 3 A 0.650 193.650 20 175.0 32.2 4.128E-05 3322768860.25000 162.50 12.5 12.5 34.200 227.850 196.422 74.6 278.9 15.4 320 1334 C 21 H 3 A 0.675 193.675 20 164.9 37.7 3.749E-05 3322768865.18750 162.50 2.4 2.4 34.200 227.875 196.444 76.7 237.8 13.3 320 1334 C 21 H 3 A 0.700 193.700 20 169.0 22.3 5.983E-05 3322768870.12500 162.50 6.5 6.5 34.200 227.900 196.466 82.7 288.2 7.3 320 1334 C 21 H 3 A 0.725 193.725 20 161.9 30.6 3.684E-05 3322768875.04687 162.50 359.4 -0.6 34.200 227.925 196.487 81.5 224.1 8.5 320 1334 C 21 H 3 A 0.750 193.750 20 164.4 20.2 5.022E-05 3322768879.98437 162.50 1.9 1.9 34.200 227.950 196.509 86.9 265.6 3.1 320 1334 C 21 H 3 A 0.775 193.775 20 156.8 21.8 4.760E-05 3322768884.92187 162.50 354.3 -5.7 34.200 227.975 196.530 83.5 169.0 6.5 320 1334 C 21 H 3 A 0.800 193.800 20 158.2 20.2 4.899E-05 3322768889.85937 162.50 355.7 -4.3 34.200 228.000 196.552 85.1 168.1 4.9 320 1334 C 21 H 3 A 0.825 193.825 20 161.0 17.7 4.932E-05 3322768894.78125 162.50 358.5 -1.5 34.200 228.025 196.573 88.2 173.8 1.8 320 1334 C 21 H 3 A 0.850 193.850 20 163.9 16.2 5.817E-05 3322768899.71875 162.50 1.4 1.4 34.200 228.050 196.595 88.6 307.1 1.4 320 1334 C 21 H 3 A 0.875 193.875 20 152.4 17.8 5.529E-05 3322768904.65625 162.50 349.9 -10.1 34.200 228.075 196.616 80.0 145.2 10.1 320 1334 C 21 H 3 A 0.900 193.900 20 150.2 22.3 4.462E-05 3322768909.57812 162.50 347.7 -12.3 34.200 228.100 196.638 77.4 155.5 12.6 320 1334 C 21 H 3 A 0.925 193.925 20 112.1 33.5 2.684E-05 3322768914.51562 162.50 309.6 -50.4 34.200 228.125 196.659 40.0 155.3 50.0 320 1334 C 21 H 3 A 0.950 193.950 20 146.2 22.8 3.676E-05 3322768919.43750 162.50 343.7 -16.3 34.200 228.150 196.681 73.5 152.9 16.5 320 1334 C 21 H 3 A 0.975 193.975 20 143.3 21.9 3.811E-05 3322768924.37500 162.50 340.8 -19.2 34.200 228.175 196.703 70.8 149.6 19.2 320 1334 C 21 H 3 A 1.000 194.000 20 135.1 23.4 4.106E-05 3322768929.29687 162.50 332.6 -27.4 34.200 228.200 196.724 62.7 149.2 27.3 320 1334 C 21 H 3 A 1.025 194.025 20 149.6 19.8 5.586E-05 3322768934.23437 162.50 347.1 -12.9 34.200 228.225 196.746 77.1 148.8 12.9 320 1334 C 21 H 3 A 1.050 194.050 20 159.4 26.4 4.548E-05 3322768939.17187 162.50 356.9 -3.1 34.200 228.250 196.767 83.3 201.2 6.7 320 1334 C 21 H 3 A 1.075 194.075 20 165.4 28.6 4.935E-05 3322768944.10937 162.50 2.9 2.9 34.200 228.275 196.789 82.2 249.2 7.8 320 1334 C 21 H 3 A 1.100 194.100 20 144.5 35.3 4.473E-05 3322768949.03125 162.50 342.0 -18.0 34.200 228.300 196.810 69.1 173.3 20.9 320 1334 C 21 H 3 A 1.125 194.125 20 157.8 36.7 4.490E-05 3322768953.96875 162.50 355.3 -4.7 34.200 228.325 196.832 76.8 208.5 13.2 320 1334 C 21 H 3 A 1.150 194.150 20 137.7 67.8 2.832E-05 3322768958.90625 162.50 335.2 -24.8 34.200 228.350 196.853 42.6 206.9 47.5 320 1334 C 21 H 3 A 1.175 194.175 20 106.8 63.7 3.211E-05 3322768963.82812 162.50 304.3 -55.7 34.200 228.375 196.875 29.4 186.2 60.6 320 1334 C 21 H 3 A 1.200 194.200 20 173.9 51.9 3.801E-05 3322768968.75000 162.50 11.4 11.4 34.200 228.400 196.897 63.3 249.8 26.7 320 1334 C 21 H 3 A 1.225 194.225 20 165.2 44.1 4.040E-05 3322768973.68750 162.50 2.7 2.7 34.200 228.425 196.918 72.0 235.9 18.0 320 1334 C 21 H 3 A 1.250 194.250 20 156.9 40.5 4.266E-05 3322768978.62500 162.50 354.4 -5.6 34.200 228.450 196.940 74.0 209.1 16.1 320 1334 C 21 H 3 A 1.275 194.275 20 164.8 25.6 6.355E-05 3322768983.56250 162.50 2.3 2.3 34.200 228.475 196.961 84.1 250.3 5.9 320 1334 C 21 H 3 A 1.300 194.300 20 147.1 26.3 5.328E-05 3322768988.48437 162.50 344.6 -15.4 34.200 228.500 196.983 73.8 160.6 16.2 320 1334 C 21 H 3 A 1.325 194.325 20 154.7 18.5 6.167E-05 3322768993.42187 162.50 352.2 -7.8 34.200 228.525 197.004 82.2 149.6 7.9 320 1334 C 21 H 3 A 1.350 194.350 20 160.3 19.3 6.317E-05 3322768998.35937 162.50 357.8 -2.2 34.200 228.550 197.026 87.1 179.8 2.9 320 1334 C 21 H 3 A 1.375 194.375 20 132.8 36.1 3.277E-05 3322769003.28125 162.50 330.3 -29.7 34.200 228.575 197.047 58.9 163.9 31.2 320 1334 C 21 H 3 A 1.400 194.400 20 153.9 21.9 5.361E-05 3322769008.21875 162.50 351.4 -8.6 34.200 228.600 197.069 80.9 160.4 9.1 320 1334 C 21 H 3 A 1.425 194.425 20 127.4 34.7 3.344E-05 3322769013.15625 162.50 324.9 -35.1 34.200 228.625 197.091 54.2 159.7 35.8 320 1334 C 21 H 4 A 0.075 194.575 20 145.0 36.5 5.112E-05 3322769797.98437 162.50 342.5 -17.5 34.200 228.775 197.220 69.1 175.9 20.9 320 1334 C 21 H 4 A 0.100 194.600 20 181.5 38.6 5.096E-05 3322769802.92187 162.50 19.0 19.0 34.200 228.800 197.241 67.1 279.0 22.9 320 1334 C 21 H 4 A 0.125 194.625 20 181.4 53.3 3.691E-05 3322769807.85937 162.50 18.9 18.9 34.200 228.825 197.263 58.8 259.3 31.2 320 1334 C 21 H 4 A 0.150 194.650 20 168.2 49.1 4.504E-05 3322769812.78125 162.50 5.7 5.7 34.200 228.850 197.284 67.4 240.9 22.6 320 1334 C 21 H 4 A 0.175 194.675 20 243.4 73.7 5.069E-05 3322769817.71875 162.50 80.9 80.9 34.200 228.875 197.306 11.5 258.6 78.5 320 1334 C 21 H 4 A 0.200 194.700 20 345.2 50.5 1.150E-04 3322769822.65625 162.50 182.7 182.7 34.200 228.900 197.328 -50.7 224.4 140.7 320 1334 C 21 H 4 A 0.225 194.725 20 31.1 65.9 1.603E-04 3322769827.57812 162.50 228.6 228.6 34.200 228.925 197.349 -19.5 196.0 109.5 320 1334 C 21 H 4 A 0.250 194.750 20 108.0 54.0 2.197E-04 3322769832.51562 162.50 305.5 -54.5 34.200 228.950 197.371 33.6 174.5 56.5 320 1334 C 21 H 4 A 0.275 194.775 20 131.2 35.7 2.349E-04 3322769837.45312 162.50 328.7 -31.3 34.200 228.975 197.392 57.5 162.5 32.5 320 1334 C 21 H 4 A 0.300 194.800 20 133.4 30.7 1.476E-04 3322769842.37500 162.50 330.9 -29.1 34.200 229.000 197.414 60.4 157.5 29.7 320 1334 C 21 H 4 A 0.325 194.825 20 153.3 35.5 8.874E-05 3322769847.31250 162.50 350.8 -9.2 34.200 229.025 197.435 75.4 191.5 14.7 320 1334 C 21 H 4 A 0.350 194.850 20 146.9 68.4 4.372E-05 3322769852.25000 162.50 344.4 -15.6 34.200 229.050 197.457 44.5 214.5 45.5 320 1334 C 21 H 4 A 0.375 194.875 20 134.9 61.9 4.399E-05 3322769857.17187 162.50 332.4 -27.6 34.200 229.075 197.478 47.4 198.1 42.6 320 1334 C 21 H 4 A 0.400 194.900 20 171.5 79.6 4.091E-05 3322769862.10937 162.50 9.0 9.0 34.200 229.100 197.500 27.9 231.5 62.1 320 1334 C 21 H 4 A 0.425 194.925 20 182.6 46.9 5.591E-05 3322769867.03125 162.50 20.1 20.1 34.200 229.125 197.522 62.4 268.8 27.7 320 1334 C 21 H 4 A 0.450 194.950 20 171.0 53.5 4.560E-05 3322769871.96875 162.50 8.5 8.5 34.200 229.150 197.543 62.8 243.6 27.2 320 1334 C 21 H 4 A 0.475 194.975 20 71.0 64.3 3.424E-05 3322769876.90625 162.50 268.5 268.5 34.200 229.175 197.565 4.7 184.0 85.3 320 1334 C 21 H 4 A 0.500 195.000 20 152.0 46.2 4.039E-05 3322769881.82812 162.50 349.5 -10.5 34.200 229.200 197.586 68.1 202.4 21.9 320 1334 C 21 H 4 A 0.525 195.025 20 153.0 33.6 5.164E-05 3322769886.76562 162.50 350.5 -9.5 34.200 229.225 197.608 76.1 187.3 13.9 320 1334 C 21 H 4 A 0.550 195.050 20 170.8 44.3 3.598E-05 3322769891.68750 162.50 8.3 8.3 34.200 229.250 197.629 70.3 250.7 19.7 320 1334 C 21 H 4 A 0.575 195.075 20 30.5 47.6 2.738E-05 3322769896.62500 162.50 228.0 228.0 34.200 229.275 197.651 -31.0 178.6 121.0 320 1334 C 21 H 4 A 0.600 195.100 20 351.9 60.5 2.764E-05 3322769901.54687 162.50 189.4 189.4 34.200 229.300 197.672 -39.8 218.9 129.8 320 1334 C 21 H 4 A 0.625 195.125 20 18.5 43.6 4.392E-05 3322769906.48437 162.50 216.0 216.0 34.200 229.325 197.694 -41.6 182.9 131.6 320 1334 C 21 H 4 A 0.650 195.150 20 74.5 68.7 4.110E-05 3322769911.40625 162.50 272.0 -88.0 34.200 229.350 197.716 7.5 189.7 82.5 320 1334 C 21 H 4 A 0.675 195.175 20 61.9 67.5 4.483E-05 3322769916.34375 162.50 259.4 259.4 34.200 229.375 197.737 -0.5 189.2 90.5 320 1334 C 21 H 4 A 0.700 195.200 20 141.2 55.4 4.738E-05 3322769921.28125 162.50 338.7 -21.3 34.200 229.400 197.759 56.0 196.3 34.0 320 1334 C 21 H 4 A 0.725 195.225 20 88.9 55.4 4.122E-05 3322769926.20312 162.50 286.4 -73.6 34.200 229.425 197.780 17.9 173.3 72.1 320 1334 C 21 H 4 A 0.750 195.250 20 40.0 49.0 4.211E-05 3322769931.14062 162.50 237.5 237.5 34.200 229.450 197.802 -23.1 175.4 113.1 320 1334 C 21 H 4 A 0.775 195.275 20 16.8 43.0 4.612E-05 3322769936.06250 162.50 214.3 214.3 34.200 229.475 197.823 -43.1 183.7 133.1 320 1334 C 21 H 4 A 0.800 195.300 20 6.2 41.9 4.969E-05 3322769941.00000 162.50 203.7 203.7 34.200 229.500 197.845 -50.4 192.9 140.4 320 1334 C 21 H 4 A 0.825 195.325 20 339.1 33.0 5.874E-05 3322769945.93750 162.50 176.6 176.6 34.200 229.525 197.866 -63.8 235.4 153.8 320 1334 C 21 H 4 A 0.850 195.350 20 349.2 45.8 4.649E-05 3322769950.85937 162.50 186.7 186.7 34.200 229.550 197.888 -54.2 217.8 144.2 320 1334 C 21 H 4 A 0.875 195.375 20 30.9 49.9 4.746E-05 3322769955.79687 162.50 228.4 228.4 34.200 229.575 197.909 -29.6 180.3 119.6 320 1334 C 21 H 4 A 0.900 195.400 20 53.2 53.0 4.698E-05 3322769960.73437 162.50 250.7 250.7 34.200 229.600 197.931 -11.3 174.7 101.3 320 1334 C 21 H 4 A 0.925 195.425 20 60.2 42.2 5.387E-05 3322769965.65625 162.50 257.7 257.7 34.200 229.625 197.953 -7.7 164.1 97.7 320 1334 C 21 H 4 A 0.950 195.450 20 100.5 40.6 5.389E-05 3322769970.59375 162.50 298.0 -62.0 34.200 229.650 197.974 28.8 160.2 61.2 320 1334 C 21 H 4 A 0.975 195.475 20 81.2 50.4 3.734E-05 3322769975.53125 162.50 278.7 -81.3 34.200 229.675 197.996 11.6 168.3 78.5 320 1334 C 21 H 4 A 1.000 195.500 20 47.8 61.8 2.414E-05 3322769980.45312 162.50 245.3 245.3 34.200 229.700 198.017 -12.0 185.2 102.0 320 1334 C 21 H 4 A 1.025 195.525 20 358.4 30.3 2.717E-05 3322769985.39062 162.50 195.9 195.9 34.200 229.725 198.039 -61.1 195.1 151.1 320 1334 C 21 H 4 A 1.050 195.550 20 10.0 22.5 4.154E-05 3322769990.31250 162.50 207.5 207.5 34.200 229.750 198.060 -56.3 173.5 146.3 320 1334 C 21 H 4 A 1.075 195.575 20 88.0 43.1 3.502E-05 3322769995.25000 162.50 285.5 -74.5 34.200 229.775 198.082 17.4 161.9 72.6 320 1334 C 21 H 4 A 1.100 195.600 20 44.4 36.3 4.738E-05 3322770000.18750 162.50 241.9 241.9 34.200 229.800 198.103 -23.0 164.0 113.0 320 1334 C 21 H 4 A 1.125 195.625 20 145.2 42.5 4.865E-05 3322770005.10937 162.50 342.7 -17.3 34.200 229.825 198.125 66.6 185.2 23.4 320 1334 C 21 H 4 A 1.150 195.650 20 174.9 34.8 5.837E-05 3322770010.04687 162.50 12.4 12.4 34.200 229.850 198.147 73.6 273.9 16.4 320 1334 C 21 H 4 A 1.175 195.675 20 223.2 47.5 3.487E-05 3322770014.98437 162.50 60.7 60.7 34.200 229.875 198.168 29.5 289.6 60.5 320 1334 C 21 H 4 A 1.200 195.700 20 276.3 57.6 2.415E-05 3322770019.90625 162.50 113.8 113.8 34.200 229.900 198.190 -13.2 275.6 103.2 320 1334 C 21 H 4 A 1.225 195.725 20 356.0 5.0 2.108E-04 3322770024.84375 162.50 193.5 193.5 34.200 229.925 198.211 -72.9 175.5 162.9 320 1334 C 21 H 4 A 1.250 195.750 20 357.7 8.4 3.651E-04 3322770029.78125 162.50 195.2 195.2 34.200 229.950 198.233 -70.5 176.4 160.5 320 1334 C 21 H 4 A 1.275 195.775 20 357.1 19.5 2.785E-04 3322770034.71875 162.50 194.6 194.6 34.200 229.975 198.254 -66.8 188.9 156.8 320 1334 C 21 H 4 A 1.300 195.800 20 354.3 40.4 1.233E-04 3322770039.64062 162.50 191.8 191.8 34.200 230.000 198.276 -56.9 207.9 146.9 320 1334 C 21 H 4 A 1.325 195.825 20 192.9 50.7 6.266E-05 3322770044.57812 162.50 30.4 30.4 34.200 230.025 198.297 53.3 274.3 36.7 320 1334 C 21 H 4 A 1.350 195.850 20 189.2 30.6 5.523E-05 3322770049.51562 162.50 26.7 26.7 34.200 230.050 198.319 62.6 297.5 27.4 320 1334 C 21 H 4 A 1.375 195.875 20 2.7 80.7 1.738E-05 3322770054.45312 162.50 200.2 200.2 34.200 230.075 198.341 -9.0 221.8 99.0 320 1334 C 21 H 4 A 1.400 195.900 20 78.5 59.4 1.896E-05 3322770059.37500 162.50 276.0 -84.0 34.200 230.100 198.362 9.7 177.6 80.3 320 1334 C 21 H 4 A 1.425 195.925 20 72.0 29.8 3.628E-05 3322770064.31250 162.50 269.5 269.5 34.200 230.125 198.384 1.7 153.9 88.3 320 1334 C 21 H 5 A 0.075 196.075 20 350.5 9.2 4.258E-05 3322770789.00000 162.50 188.0 188.0 34.200 230.275 198.513 -75.1 195.5 165.1 320 1334 C 21 H 5 A 0.100 196.100 20 347.3 3.6 4.932E-05 3322770793.93750 162.50 184.8 184.8 34.200 230.300 198.534 -79.1 201.8 169.1 320 1334 C 21 H 5 A 0.125 196.125 20 2.7 2.8 6.595E-05 3322770798.85937 162.50 200.2 200.2 34.200 230.325 198.556 -67.8 162.2 157.8 320 1334 C 21 H 5 A 0.150 196.150 20 1.8 8.5 6.305E-05 3322770803.79687 162.50 199.3 199.3 34.200 230.350 198.578 -67.2 169.9 157.2 320 1334 C 21 H 5 A 0.175 196.175 20 358.8 14.9 6.089E-05 3322770808.73437 162.50 196.3 196.3 34.200 230.375 198.599 -67.5 181.4 157.5 320 1334 C 21 H 5 A 0.200 196.200 20 2.3 16.9 7.447E-05 3322770813.65625 162.50 199.8 199.8 34.200 230.400 198.621 -64.2 177.7 154.2 320 1334 C 21 H 5 A 0.225 196.225 20 350.5 17.7 6.659E-05 3322770818.59375 162.50 188.0 188.0 34.200 230.425 198.642 -71.2 202.8 161.2 320 1334 C 21 H 5 A 0.250 196.250 20 342.2 13.4 6.871E-05 3322770823.53125 162.50 179.7 179.7 34.200 230.450 198.664 -75.2 229.2 165.2 320 1334 C 21 H 5 A 0.275 196.275 20 328.2 12.9 5.888E-05 3322770828.45312 162.50 165.7 165.7 34.200 230.475 198.685 -69.6 272.9 159.6 320 1334 C 21 H 5 A 0.300 196.300 20 337.7 13.8 5.645E-05 3322770833.39062 162.50 175.2 175.2 34.200 230.500 198.707 -74.3 245.9 164.3 320 1334 C 21 H 5 A 0.325 196.325 20 329.6 21.2 4.344E-05 3322770838.31250 162.50 167.1 167.1 34.200 230.525 198.728 -67.1 262.3 157.1 320 1334 C 21 H 5 A 0.350 196.350 20 332.9 17.0 5.383E-05 3322770843.25000 162.50 170.4 170.4 34.200 230.550 198.750 -70.8 258.1 160.8 320 1334 C 21 H 5 A 0.375 196.375 20 330.8 14.8 4.927E-05 3322770848.17187 162.50 168.3 168.3 34.200 230.575 198.772 -70.6 265.2 160.6 320 1334 C 21 H 5 A 0.400 196.400 20 337.1 9.3 6.175E-05 3322770853.10937 162.50 174.6 174.6 34.200 230.600 198.793 -76.2 251.2 166.2 320 1334 C 21 H 5 A 0.425 196.425 20 328.0 11.7 4.492E-05 3322770858.03125 162.50 165.5 165.5 34.200 230.625 198.815 -69.9 274.6 159.9 320 1334 C 21 H 5 A 0.450 196.450 20 345.1 10.1 6.697E-05 3322770862.96875 162.50 182.6 182.6 34.200 230.650 198.836 -76.7 216.7 166.7 320 1334 C 21 H 5 A 0.475 196.475 20 353.1 11.6 7.413E-05 3322770867.90625 162.50 190.6 190.6 34.200 230.675 198.858 -72.6 190.4 162.6 320 1334 C 21 H 5 A 0.500 196.500 20 348.8 19.0 5.332E-05 3322770872.84375 162.50 186.3 186.3 34.200 230.700 198.879 -71.2 208.5 161.2 320 1334 C 21 H 5 A 0.525 196.525 20 7.5 53.2 2.415E-05 3322770877.76562 162.50 205.0 205.0 34.200 230.725 198.901 -42.0 199.8 132.0 320 1334 C 21 H 5 A 0.550 196.550 20 269.0 70.4 2.582E-05 3322770882.70312 162.50 106.5 106.5 34.200 230.750 198.922 -2.9 261.9 92.9 320 1334 C 21 H 5 A 0.575 196.575 20 347.9 34.0 4.482E-05 3322770887.64062 162.50 185.4 185.4 34.200 230.775 198.944 -62.8 216.8 152.8 320 1334 C 21 H 5 A 0.600 196.600 20 287.0 59.4 3.337E-05 3322770892.56250 162.50 124.5 124.5 34.200 230.800 198.966 -19.8 270.0 109.8 320 1334 C 21 H 5 A 0.625 196.625 20 339.7 59.5 3.182E-05 3322770897.50000 162.50 177.2 177.2 34.200 230.825 198.987 -41.6 230.9 131.6 320 1334 C 21 H 5 A 0.650 196.650 20 258.2 71.9 3.053E-05 3322770902.43750 162.50 95.7 95.7 34.200 230.850 199.009 3.6 261.1 86.4 320 1334 C 21 H 5 A 0.675 196.675 20 290.2 52.8 3.475E-05 3322770907.35937 162.50 127.7 127.7 34.200 230.875 199.030 -25.4 275.0 115.4 320 1334 C 21 H 5 A 0.700 196.700 20 304.7 13.9 5.775E-05 3322770912.29687 162.50 142.2 142.2 34.200 230.900 199.052 -49.4 297.3 139.4 320 1334 C 21 H 5 A 0.725 196.725 20 330.7 -3.5 1.225E-04 3322770917.23437 162.50 168.2 168.2 34.200 230.925 199.073 -76.7 290.6 166.7 320 1334 C 21 H 5 A 0.750 196.750 20 344.3 -7.8 1.779E-04 3322770922.15625 162.50 181.8 181.8 34.200 230.950 199.095 -85.5 204.2 175.5 320 1334 C 21 H 5 A 0.775 196.775 20 352.9 -5.8 1.745E-04 3322770927.09375 162.50 190.4 190.4 34.200 230.975 199.116 -78.5 163.7 168.5 320 1334 C 21 H 5 A 0.800 196.800 20 3.7 1.3 8.815E-05 3322770932.03125 162.50 201.2 201.2 34.200 231.000 199.138 -67.2 159.3 157.2 320 1334 C 21 H 5 A 0.825 196.825 20 347.2 20.6 3.556E-05 3322770936.95312 162.50 184.7 184.7 34.200 231.025 199.159 -70.8 213.9 160.8 320 1334 C 21 H 5 A 0.850 196.850 20 274.8 53.1 2.209E-05 3322770941.89062 162.50 112.3 112.3 34.200 231.050 199.181 -13.6 280.4 103.6 320 1334 C 21 H 5 A 0.875 196.875 20 340.9 58.3 1.899E-05 3322770946.81250 162.50 178.4 178.4 34.200 231.075 199.203 -43.0 229.7 133.0 320 1334 C 21 H 5 A 0.900 196.900 20 346.4 18.8 4.120E-05 3322770951.75000 162.50 183.9 183.9 34.200 231.100 199.224 -71.9 215.6 161.9 320 1334 C 21 H 5 A 0.925 196.925 20 351.7 7.9 6.913E-05 3322770956.67187 162.50 189.2 189.2 34.200 231.125 199.246 -74.9 190.2 164.9 320 1334 C 21 H 5 A 0.950 196.950 20 346.8 10.1 5.625E-05 3322770961.60937 162.50 184.3 184.3 34.200 231.150 199.267 -76.2 209.8 166.2 320 1334 C 21 H 5 A 0.975 196.975 20 350.4 8.6 6.719E-05 3322770966.54687 162.50 187.9 187.9 34.200 231.175 199.289 -75.4 195.2 165.4 320 1334 C 21 H 5 A 1.000 197.000 20 3.5 7.7 6.680E-05 3322770971.48437 162.50 201.0 201.0 34.200 231.200 199.310 -65.9 166.8 155.9 320 1334 C 21 H 5 A 1.025 197.025 20 3.3 3.5 7.267E-05 3322770976.40625 162.50 200.8 200.8 34.200 231.225 199.332 -67.1 162.3 157.1 320 1334 C 21 H 5 A 1.050 197.050 20 4.0 1.2 6.105E-05 3322770981.34375 162.50 201.5 201.5 34.200 231.250 199.353 -66.9 158.9 156.9 320 1334 C 21 H 5 A 1.075 197.075 20 19.8 48.7 1.515E-05 3322770986.28125 162.50 217.3 217.3 34.200 231.275 199.375 -38.0 186.1 128.0 320 1334 C 21 H 5 A 1.100 197.100 20 338.0 23.2 4.653E-05 3322770991.20312 162.50 175.5 175.5 34.200 231.300 199.397 -69.4 240.6 159.4 320 1334 C 21 H 5 A 1.125 197.125 20 232.6 47.9 2.696E-05 3322770996.14062 162.50 70.1 70.1 34.200 231.325 199.418 21.2 290.0 68.8 320 1334 C 21 H 5 A 1.150 197.150 20 273.6 35.2 3.371E-05 3322771001.06250 162.50 111.1 111.1 34.200 231.350 199.440 -16.9 294.9 106.9 320 1334 C 21 H 5 A 1.175 197.175 20 303.8 18.6 4.146E-05 3322771006.00000 162.50 141.3 141.3 34.200 231.375 199.461 -47.7 294.3 137.7 320 1334 C 21 H 5 A 1.200 197.200 20 266.4 17.9 2.991E-05 3322771010.93750 162.50 103.9 103.9 34.200 231.400 199.483 -12.3 306.8 102.3 320 1334 C 21 H 5 A 1.225 197.225 20 271.6 20.4 9.984E-06 3322771015.85937 162.50 109.1 109.1 34.200 231.425 199.504 -17.1 304.4 107.1 320 1334 C 21 H 5 A 1.250 197.250 20 71.3 6.9 1.450E-05 3322771020.79687 162.50 268.8 268.8 34.200 231.450 199.526 -0.7 141.6 90.7 320 1334 C 21 H 5 A 1.275 197.275 20 105.4 8.6 3.316E-05 3322771025.73437 162.50 302.9 -57.1 34.200 231.475 199.547 33.2 138.0 56.9 320 1334 C 21 H 5 A 1.300 197.300 20 56.4 12.0 3.819E-05 3322771030.65625 162.50 253.9 253.9 34.200 231.500 199.569 -15.0 146.5 105.0 320 1334 C 21 H 5 A 1.325 197.325 20 103.4 25.5 2.760E-05 3322771035.59375 162.50 300.9 -59.1 34.200 231.525 199.591 31.8 148.9 58.2 320 1334 C 21 H 5 A 1.350 197.350 20 29.7 41.5 2.091E-05 3322771040.53125 162.50 227.2 227.2 34.200 231.550 199.612 -34.0 174.0 124.0 320 1334 C 21 H 5 A 1.375 197.375 20 15.1 22.3 2.911E-05 3322771045.45312 162.50 212.6 212.6 34.200 231.575 199.634 -52.1 168.8 142.1 320 1334 C 21 H 5 A 1.400 197.400 20 0.9 28.5 2.072E-05 3322771050.39062 162.50 198.4 198.4 34.200 231.600 199.655 -60.5 189.8 150.5 320 1334 C 21 H 5 A 1.425 197.425 20 357.3 30.2 2.157E-05 3322771055.31250 162.50 194.8 194.8 34.200 231.625 199.677 -61.7 196.9 151.7 320 1334 C 21 H 6 A 0.075 197.575 20 351.5 6.7 5.499E-05 3322771785.82812 162.50 189.0 189.0 34.200 231.775 199.806 -75.5 189.4 165.5 320 1334 C 21 H 6 A 0.100 197.600 20 336.3 5.1 5.073E-05 3322771790.76562 162.50 173.8 173.8 34.200 231.800 199.828 -77.8 258.6 167.8 320 1334 C 21 H 6 A 0.125 197.625 20 345.7 -0.8 4.806E-05 3322771795.68750 162.50 183.2 183.2 34.200 231.825 199.849 -81.8 205.1 171.8 320 1334 C 21 H 6 A 0.150 197.650 20 356.7 -0.5 5.094E-05 3322771800.62500 162.50 194.2 194.2 34.200 231.850 199.871 -73.9 166.1 163.9 320 1334 C 21 H 6 A 0.175 197.675 20 5.0 5.4 4.842E-05 3322771805.56250 162.50 202.5 202.5 34.200 231.875 199.892 -65.1 162.7 155.1 320 1334 C 21 H 6 A 0.200 197.700 20 17.3 13.7 5.758E-05 3322771810.48437 162.50 214.8 214.8 34.200 231.900 199.914 -52.2 160.4 142.2 320 1334 C 21 H 6 A 0.225 197.725 20 7.2 32.5 3.613E-05 3322771815.42187 162.50 204.7 204.7 34.200 231.925 199.935 -54.6 184.6 144.6 320 1334 C 21 H 6 A 0.250 197.750 20 13.7 63.6 2.652E-05 3322771820.35937 162.50 211.2 211.2 34.200 231.950 199.957 -29.9 203.1 119.9 320 1334 C 21 H 6 A 0.275 197.775 20 156.8 49.2 3.561E-05 3322771825.28125 162.50 354.3 -5.7 34.200 231.975 199.978 67.3 215.2 22.7 320 1334 C 21 H 6 A 0.300 197.800 20 103.1 68.3 2.750E-05 3322771830.21875 162.50 300.6 -59.4 34.200 232.000 200.000 25.0 191.8 65.0 320 1334 C 21 H 6 A 0.325 197.825 20 130.6 55.8 2.876E-05 3322771835.15625 162.50 328.1 -31.9 34.200 232.025 200.022 49.4 187.1 40.6 320 1334 C 21 H 6 A 0.350 197.850 20 109.1 46.9 3.277E-05 3322771840.07812 162.50 306.6 -53.4 34.200 232.050 200.043 35.9 167.1 54.1 320 1334 C 21 H 6 A 0.375 197.875 20 26.9 56.5 3.219E-05 3322771845.01562 162.50 224.4 224.4 34.200 232.075 200.065 -28.7 188.5 118.7 320 1334 C 21 H 6 A 0.400 197.900 20 149.3 81.3 3.015E-05 3322771849.93750 162.50 346.8 -13.2 34.200 232.100 200.086 24.5 223.8 65.5 320 1334 C 21 H 6 A 0.425 197.925 20 30.9 80.0 3.071E-05 3322771854.87500 162.50 228.4 228.4 34.200 232.125 200.108 -5.0 213.6 95.0 320 1334 C 21 H 6 A 0.450 197.950 20 5.2 28.3 6.134E-05 3322771859.79687 162.50 202.7 202.7 34.200 232.150 200.129 -57.8 183.7 147.8 320 1334 C 21 H 6 A 0.475 197.975 20 7.5 18.5 8.300E-05 3322771864.73437 162.50 205.0 205.0 34.200 232.175 200.151 -59.6 172.7 149.6 320 1334 C 21 H 6 A 0.500 198.000 20 3.9 21.9 6.547E-05 3322771869.65625 162.50 201.4 201.4 34.200 232.200 200.172 -61.2 180.0 151.2 320 1334 C 21 H 6 A 0.525 198.025 20 4.3 23.7 3.974E-05 3322771874.59375 162.50 201.8 201.8 34.200 232.225 200.194 -60.3 181.1 150.3 320 1334 C 21 H 6 A 0.550 198.050 20 344.5 13.4 4.284E-05 3322771879.53125 162.50 182.0 182.0 34.200 232.250 200.216 -75.1 220.3 165.1 320 1334 C 21 H 6 A 0.575 198.075 20 349.5 2.1 1.050E-04 3322771884.45312 162.50 187.0 187.0 34.200 232.275 200.237 -78.6 190.1 168.6 320 1334 C 21 H 6 A 0.600 198.100 20 337.8 5.2 9.233E-05 3322771889.39062 162.50 175.3 175.3 34.200 232.300 200.259 -78.4 252.1 168.4 320 1334 C 21 H 6 A 0.625 198.125 20 343.8 11.2 7.349E-05 3322771894.31250 162.50 181.3 181.3 34.200 232.325 200.280 -76.3 222.6 166.3 320 1334 C 21 H 6 A 0.650 198.150 20 338.5 21.1 5.225E-05 3322771899.25000 162.50 176.0 176.0 34.200 232.350 200.302 -70.7 240.0 160.7 320 1334 C 21 H 6 A 0.675 198.175 20 22.1 26.0 3.480E-05 3322771904.17187 162.50 219.6 219.6 34.200 232.375 200.323 -45.1 166.7 135.1 320 1334 C 21 H 6 A 0.700 198.200 20 61.3 18.6 3.028E-05 3322771909.10937 162.50 258.8 258.8 34.200 232.400 200.345 -9.6 149.2 99.6 320 1334 C 21 H 6 A 0.725 198.225 20 80.6 24.4 2.578E-05 3322771914.04687 162.50 278.1 -81.9 34.200 232.425 200.366 9.6 149.7 80.4 320 1334 C 21 H 6 A 0.750 198.250 20 127.3 31.7 2.629E-05 3322771918.98437 162.50 324.8 -35.2 34.200 232.450 200.388 54.5 156.5 35.5 320 1334 C 21 H 6 A 0.775 198.275 20 144.7 31.3 2.766E-05 3322771923.90625 162.50 342.2 -17.8 34.200 232.475 200.409 70.5 166.9 19.5 320 1334 C 21 H 6 A 0.800 198.300 20 159.0 38.5 2.301E-05 3322771928.84375 162.50 356.5 -3.5 34.200 232.500 200.431 75.9 214.6 14.1 320 1334 C 21 H 6 A 0.825 198.325 20 165.1 20.3 3.979E-05 3322771933.78125 162.50 2.6 2.6 34.200 232.525 200.453 86.4 273.8 3.6 320 1334 C 21 H 6 A 0.850 198.350 20 148.3 29.5 2.838E-05 3322771938.71875 162.50 345.8 -14.2 34.200 232.550 200.474 74.1 168.7 15.9 320 1334 C 21 H 6 A 0.875 198.375 20 128.7 21.5 3.775E-05 3322771943.64062 162.50 326.2 -33.8 34.200 232.575 200.496 56.5 146.2 33.5 320 1334 C 21 H 6 A 0.900 198.400 20 72.9 20.3 3.397E-05 3322771948.57812 162.50 270.4 -89.6 34.200 232.600 200.517 1.8 148.4 88.2 320 1334 C 21 H 6 A 0.925 198.425 20 32.9 5.0 4.731E-05 3322771953.51562 162.50 230.4 230.4 34.200 232.625 200.539 -38.7 147.8 128.7 320 1334 C 21 H 6 A 0.950 198.450 20 10.8 -2.3 4.059E-05 3322771958.43750 162.50 208.3 208.3 34.200 232.650 200.560 -61.0 150.2 151.0 320 1334 C 21 H 6 A 0.975 198.475 20 360.0 -0.9 4.825E-05 3322771963.37500 162.50 197.5 197.5 34.200 232.675 200.582 -71.0 160.6 161.0 320 1334 C 21 H 6 A 1.000 198.500 20 7.9 4.3 3.501E-05 3322771968.29687 162.50 205.4 205.4 34.200 232.700 200.603 -62.7 158.8 152.7 320 1334 C 21 H 6 A 1.025 198.525 20 39.4 18.8 2.012E-05 3322771973.23437 162.50 236.9 236.9 34.200 232.725 200.625 -30.7 154.3 120.7 320 1334 C 21 H 6 A 1.050 198.550 20 124.3 43.0 1.302E-05 3322771978.17187 162.50 321.8 -38.2 34.200 232.750 200.647 49.8 167.7 40.2 320 1334 C 21 H 6 A 1.075 198.575 20 189.5 21.2 2.863E-05 3322771983.09375 162.50 27.0 27.0 34.200 232.775 200.668 63.2 309.5 26.8 320 1334 C 21 H 6 A 1.100 198.600 20 167.2 57.6 1.044E-05 3322771988.03125 162.50 4.7 4.7 34.200 232.800 200.690 59.5 235.3 30.5 320 1334 C 21 H 6 A 1.125 198.625 20 355.0 58.8 1.241E-05 3322771992.96875 162.50 192.5 192.5 34.200 232.825 200.711 -41.1 215.2 131.1 320 1334 C 21 H 6 A 1.150 198.650 20 358.9 26.8 3.717E-05 3322771997.89062 162.50 196.4 196.4 34.200 232.850 200.733 -62.5 191.7 152.5 320 1334 C 21 H 6 A 1.175 198.675 20 347.8 20.2 5.389E-05 3322772002.82812 162.50 185.3 185.3 34.200 232.875 200.754 -70.8 212.0 160.8 320 1334 C 21 H 6 A 1.200 198.700 20 324.5 28.2 3.281E-05 3322772007.76562 162.50 162.0 162.0 34.200 232.900 200.776 -60.9 265.9 150.9 320 1334 C 21 H 6 A 1.225 198.725 20 348.8 21.0 2.287E-05 3322772012.70312 162.50 186.3 186.3 34.200 232.925 200.797 -70.1 209.6 160.1 320 1334 C 21 H 6 A 1.250 198.750 20 90.7 33.0 1.660E-05 3322772017.62500 162.50 288.2 -71.8 34.200 232.950 200.819 19.7 154.3 70.3 320 1334 C 21 H 6 A 1.275 198.775 20 95.1 32.0 2.073E-05 3322772022.56250 162.50 292.6 -67.4 34.200 232.975 200.841 23.9 153.5 66.1 320 1334 C 21 H 6 A 1.300 198.800 20 46.0 25.3 2.065E-05 3322772027.50000 162.50 243.5 243.5 34.200 233.000 200.862 -23.5 156.3 113.5 320 1334 C 21 H 6 A 1.325 198.825 20 155.7 18.5 2.548E-05 3322772032.43750 162.50 353.2 -6.8 34.200 233.025 200.884 83.1 151.1 6.9 320 1334 C 21 H 6 A 1.350 198.850 20 74.4 34.2 1.062E-05 3322772037.35937 162.50 271.9 -88.1 34.200 233.050 200.905 4.4 156.4 85.7 320 1334 C 21 H 6 A 1.375 198.875 20 80.5 4.1 2.376E-05 3322772042.29687 162.50 278.0 -82.0 34.200 233.075 200.927 8.2 139.0 81.8 320 1334 C 21 H 6 A 1.400 198.900 20 113.8 11.7 2.074E-05 3322772047.23437 162.50 311.3 -48.7 34.200 233.100 200.948 41.6 138.8 48.4 320 1334 C 21 H 6 A 1.425 198.925 20 10.6 18.7 1.815E-05 3322772052.15625 162.50 208.1 208.1 34.200 233.125 200.970 -56.9 169.7 146.9 320 1334 C 21 H 7 A 0.075 199.075 20 352.8 9.2 3.901E-05 3322772761.71875 162.50 190.3 190.3 34.200 233.275 201.099 -73.7 188.6 163.7 320 1334 C 21 H 7 A 0.100 199.100 20 340.0 19.8 2.998E-05 3322772766.64062 162.50 177.5 177.5 34.200 233.300 201.121 -71.6 235.9 161.6 320 1334 C 21 H 7 A 0.125 199.125 20 353.4 8.3 4.193E-05 3322772771.57812 162.50 190.9 190.9 34.200 233.325 201.142 -73.7 185.9 163.7 320 1334 C 21 H 7 A 0.150 199.150 20 335.0 54.9 2.699E-06 3322772776.51562 162.50 172.5 172.5 34.200 233.350 201.164 -46.0 236.8 136.0 320 1334 C 21 H 7 A 0.175 199.175 20 331.6 -8.4 1.850E-05 3322772781.43750 162.50 169.1 169.1 34.200 233.375 201.185 -78.5 299.5 168.5 320 1334 C 21 H 7 A 0.200 199.200 20 230.7 9.6 5.329E-06 3322772786.37500 162.50 68.2 68.2 34.200 233.400 201.207 22.2 316.1 67.8 320 1334 C 21 H 7 A 0.225 199.225 20 275.3 7.0 1.938E-05 3322772791.29687 162.50 112.8 112.8 34.200 233.425 201.228 -22.0 310.9 112.0 320 1334 C 21 H 7 A 0.250 199.250 20 253.4 13.3 7.811E-06 3322772796.23437 162.50 90.9 90.9 34.200 233.450 201.250 0.1 311.2 90.0 320 1334 C 21 H 7 A 0.275 199.275 20 181.5 5.0 1.875E-05 3322772801.15625 162.50 19.0 19.0 34.200 233.475 201.272 70.3 333.2 19.7 320 1334 C 21 H 7 A 0.300 199.300 20 353.7 -20.6 1.180E-05 3322772806.09375 162.50 191.2 191.2 34.200 233.500 201.293 -78.6 123.7 168.6 320 1334 C 21 H 7 A 0.325 199.325 20 324.8 -37.2 1.680E-05 3322772811.03125 162.50 162.3 162.3 34.200 233.525 201.315 -68.7 356.7 158.7 320 1334 C 21 H 7 A 0.350 199.350 20 313.1 -22.0 2.109E-05 3322772815.95312 162.50 150.6 150.6 34.200 233.550 201.336 -60.8 327.2 150.8 320 1334 C 21 H 7 A 0.375 199.375 20 326.4 -5.4 3.810E-05 3322772820.89062 162.50 163.9 163.9 34.200 233.575 201.358 -73.1 300.6 163.1 320 1334 C 21 H 7 A 0.400 199.400 20 305.4 4.1 1.607E-05 3322772825.81250 162.50 142.9 142.9 34.200 233.600 201.379 -51.7 304.4 141.7 320 1334 C 21 H 7 A 0.425 199.425 20 202.3 -9.9 1.373E-05 3322772830.75000 162.50 39.8 39.8 34.200 233.625 201.401 48.2 334.8 41.8 320 1334 C 21 H 7 A 0.450 199.450 20 156.4 -78.3 1.430E-05 3322772835.67187 162.50 353.9 -6.1 34.200 233.650 201.422 14.4 50.4 75.6 320 1334 C 21 H 7 A 0.475 199.475 20 69.7 -39.3 5.480E-05 3322772840.60937 162.50 267.2 267.2 34.200 233.675 201.444 -5.6 116.3 95.6 320 1334 C 21 H 7 A 0.500 199.500 20 81.6 -39.2 7.202E-05 3322772845.53125 162.50 279.1 -80.9 34.200 233.700 201.466 5.3 114.7 84.7 320 1334 C 21 H 7 A 0.525 199.525 20 51.6 -45.8 6.563E-05 3322772850.46875 162.50 249.1 249.1 34.200 233.725 201.487 -22.2 111.8 112.2 320 1334 C 21 H 7 A 0.550 199.550 20 334.3 -72.3 4.413E-05 3322772855.40625 162.50 171.8 171.8 34.200 233.750 201.509 -40.1 42.3 130.1 320 1334 C 21 H 7 A 0.575 199.575 20 337.0 -33.1 8.069E-05 3322772860.34375 162.50 174.5 174.5 34.200 233.775 201.530 -78.6 20.5 168.6 320 1334 C 21 H 7 A 0.600 199.600 20 320.1 -33.9 7.842E-05 3322772865.26562 162.50 157.6 157.6 34.200 233.800 201.552 -65.8 346.2 155.8 320 1334 C 21 H 7 A 0.625 199.625 20 327.9 -32.4 7.158E-05 3322772870.20312 162.50 165.4 165.4 34.200 233.825 201.573 -72.8 353.5 162.8 320 1334 C 22 H 1 A 0.075 199.575 20 229.0 22.7 4.820E-05 3322773710.92187 0.00 229.0 229.0 35.800 235.375 202.909 -37.4 159.6 127.4 320 1334 C 22 H 1 A 0.100 199.600 20 155.3 59.7 1.289E-05 3322773715.84375 0.00 155.3 155.3 35.800 235.400 202.931 -36.4 251.3 126.4 320 1334 C 22 H 1 A 0.125 199.625 20 46.6 18.7 2.837E-05 3322773720.78125 0.00 46.6 46.6 35.800 235.425 202.953 44.0 312.4 46.1 320 1334 C 22 H 1 A 0.150 199.650 20 46.4 38.1 1.931E-05 3322773725.71875 0.00 46.4 46.4 35.800 235.450 202.974 43.4 296.1 46.6 320 1334 C 22 H 1 A 0.175 199.675 20 351.4 50.7 1.955E-05 3322773730.64062 0.00 351.4 -8.6 35.800 235.475 202.996 65.3 210.3 24.8 320 1334 C 22 H 1 A 0.200 199.700 20 341.4 30.6 3.982E-05 3322773735.57812 0.00 341.4 -18.6 35.800 235.500 203.017 70.0 164.8 20.0 320 1334 C 22 H 1 A 0.225 199.725 20 283.9 47.9 3.168E-05 3322773740.51562 0.00 283.9 -76.1 35.800 235.525 203.039 16.0 166.0 74.0 320 1334 C 22 H 1 A 0.250 199.750 20 233.8 40.2 4.054E-05 3322773745.45312 0.00 233.8 233.8 35.800 235.550 203.060 -29.0 169.8 119.0 320 1334 C 22 H 1 A 0.275 199.775 20 203.4 27.8 6.230E-05 3322773750.37500 0.00 203.4 203.4 35.800 235.575 203.082 -57.5 182.4 147.5 320 1334 C 22 H 1 A 0.300 199.800 20 189.2 29.9 5.717E-05 3322773755.31250 0.00 189.2 189.2 35.800 235.600 203.103 -64.3 207.3 154.3 320 1334 C 22 H 1 A 0.325 199.825 20 169.9 25.0 6.242E-05 3322773760.25000 0.00 169.9 169.9 35.800 235.625 203.125 -66.6 253.5 156.6 320 1334 C 22 H 1 A 0.350 199.850 20 172.4 58.1 3.088E-05 3322773765.17187 0.00 172.4 172.4 35.800 235.650 203.147 -42.7 236.1 132.7 320 1334 C 22 H 1 A 0.375 199.875 20 236.0 72.4 3.176E-05 3322773770.10937 0.00 236.0 236.0 35.800 235.675 203.168 -10.3 201.2 100.3 320 1334 C 22 H 1 A 0.400 199.900 20 298.9 65.7 3.732E-05 3322773775.03125 0.00 298.9 -61.1 35.800 235.700 203.190 25.1 187.7 64.9 320 1334 C 22 H 1 A 0.425 199.925 20 200.0 54.8 3.987E-05 3322773779.96875 0.00 200.0 200.0 35.800 235.725 203.211 -42.7 205.7 132.7 320 1334 C 22 H 1 A 0.450 199.950 20 184.8 46.9 3.800E-05 3322773784.90625 0.00 184.8 184.8 35.800 235.750 203.233 -53.6 220.9 143.6 320 1334 C 22 H 1 A 0.475 199.975 20 307.2 68.0 2.217E-05 3322773789.82812 0.00 307.2 -52.8 35.800 235.775 203.254 29.0 193.1 61.0 320 1334 C 22 H 1 A 0.500 200.000 20 194.7 31.7 3.783E-05 3322773794.76562 0.00 194.7 194.7 35.800 235.800 203.276 -60.9 198.1 150.9 320 1334 C 22 H 1 A 0.525 200.025 20 174.2 37.3 2.857E-05 3322773799.68750 0.00 174.2 174.2 35.800 235.825 203.297 -60.6 239.1 150.6 320 1334 C 22 H 1 A 0.550 200.050 20 193.1 24.4 4.059E-05 3322773804.62500 0.00 193.1 193.1 35.800 235.850 203.319 -65.5 195.8 155.5 320 1334 C 22 H 1 A 0.575 200.075 20 282.6 41.9 1.569E-05 3322773809.56250 0.00 282.6 -77.4 35.800 235.875 203.341 14.7 161.0 75.3 320 1334 C 22 H 1 A 0.600 200.100 20 259.2 22.9 2.584E-05 3322773814.48437 0.00 259.2 259.2 35.800 235.900 203.362 -8.8 151.5 98.8 320 1334 C 22 H 1 A 0.625 200.125 20 181.7 21.4 3.435E-05 3322773819.42187 0.00 181.7 181.7 35.800 235.925 203.384 -70.8 222.9 160.8 320 1334 C 22 H 1 A 0.650 200.150 20 188.1 16.7 3.722E-05 3322773824.35937 0.00 188.1 188.1 35.800 235.950 203.405 -71.6 201.8 161.6 320 1334 C 22 H 1 A 0.675 200.175 20 179.4 13.9 3.680E-05 3322773829.28125 0.00 179.4 179.4 35.800 235.975 203.427 -74.9 230.3 164.9 320 1334 C 22 H 1 A 0.700 200.200 20 195.7 10.9 4.805E-05 3322773834.21875 0.00 195.7 195.7 35.800 236.000 203.448 -69.3 178.3 159.3 320 1334 C 22 H 1 A 0.725 200.225 20 201.8 15.1 3.373E-05 3322773839.15625 0.00 201.8 201.8 35.800 236.025 203.470 -63.2 173.3 153.2 320 1334 C 22 H 1 A 0.750 200.250 20 192.6 21.8 3.303E-05 3322773844.07812 0.00 192.6 192.6 35.800 236.050 203.491 -67.0 194.9 157.0 320 1334 C 22 H 1 A 0.775 200.275 20 180.7 35.2 3.334E-05 3322773849.01562 0.00 180.7 180.7 35.800 236.075 203.513 -62.6 226.6 152.6 320 1334 C 22 H 1 A 0.800 200.300 20 186.5 49.4 3.424E-05 3322773853.93750 0.00 186.5 186.5 35.800 236.100 203.534 -51.2 219.0 141.2 320 1334 C 22 H 1 A 0.825 200.325 20 197.0 40.3 4.396E-05 3322773858.87500 0.00 197.0 197.0 35.800 236.125 203.556 -54.8 200.2 144.8 320 1334 C 22 H 1 A 0.850 200.350 20 206.4 38.8 5.123E-05 3322773863.79687 0.00 206.4 206.4 35.800 236.150 203.578 -50.5 187.6 140.5 320 1334 C 22 H 1 A 0.875 200.375 20 321.4 73.4 4.031E-05 3322773868.73437 0.00 321.4 -38.6 35.800 236.175 203.599 31.1 206.1 58.9 320 1334 C 22 H 1 A 0.900 200.400 20 21.2 64.2 5.536E-05 3322773873.67187 0.00 21.2 21.2 35.800 236.200 203.621 47.9 250.0 42.1 320 1334 C 22 H 1 A 0.925 200.425 20 5.4 50.2 7.205E-05 3322773878.60937 0.00 5.4 5.4 35.800 236.225 203.642 66.5 239.7 23.5 320 1334 C 22 H 1 A 0.950 200.450 20 301.4 69.0 6.091E-05 3322773883.53125 0.00 301.4 -58.6 35.800 236.250 203.664 25.1 193.0 64.9 320 1334 C 22 H 1 A 0.975 200.475 20 242.8 70.6 6.018E-05 3322773888.46875 0.00 242.8 242.8 35.800 236.275 203.685 -8.5 196.8 98.5 320 1334 C 22 H 1 A 1.000 200.500 20 57.1 75.3 5.809E-05 3322773893.40625 0.00 57.1 57.1 35.800 236.300 203.707 21.9 252.9 68.1 320 1334 C 22 H 1 A 1.025 200.525 20 63.5 61.8 6.012E-05 3322773898.32812 0.00 63.5 63.5 35.800 236.325 203.728 24.7 274.1 65.3 320 1334 C 22 H 1 A 1.050 200.550 20 14.2 50.2 6.580E-05 3322773903.26562 0.00 14.2 14.2 35.800 236.350 203.750 63.5 256.1 26.5 320 1334 C 22 H 1 A 1.075 200.575 20 351.3 46.5 7.014E-05 3322773908.18750 0.00 351.3 -8.7 35.800 236.375 203.772 68.6 206.5 21.4 320 1334 C 22 H 1 A 1.100 200.600 20 351.7 43.3 6.736E-05 3322773913.12500 0.00 351.7 -8.3 35.800 236.400 203.793 71.0 204.3 19.0 320 1334 C 22 H 1 A 1.125 200.625 20 304.3 68.3 4.500E-05 3322773918.06250 0.00 304.3 -55.7 35.800 236.425 203.815 27.2 192.7 62.8 320 1334 C 22 H 1 A 1.150 200.650 20 306.1 47.2 5.049E-05 3322773922.98437 0.00 306.1 -53.9 35.800 236.450 203.836 35.4 167.3 54.6 320 1334 C 22 H 1 A 1.175 200.675 20 320.9 40.3 4.824E-05 3322773927.92187 0.00 320.9 -39.1 35.800 236.475 203.858 49.6 164.3 40.4 320 1334 C 22 H 1 A 1.200 200.700 20 311.0 37.5 4.667E-05 3322773932.85937 0.00 311.0 -49.0 35.800 236.500 203.879 41.0 159.0 49.0 320 1334 C 22 H 1 A 1.225 200.725 20 314.6 40.2 4.374E-05 3322773937.78125 0.00 314.6 -45.4 35.800 236.525 203.901 44.0 162.3 46.0 320 1334 C 22 H 1 A 1.250 200.750 20 336.4 44.3 4.594E-05 3322773942.71875 0.00 336.4 -23.6 35.800 236.550 203.922 61.2 179.6 28.8 320 1334 C 22 H 1 A 1.275 200.775 20 358.4 60.8 4.218E-05 3322773947.65625 0.00 358.4 -1.6 35.800 236.575 203.944 56.2 225.9 33.9 320 1334 C 22 H 1 A 1.300 200.800 20 1.5 41.6 5.577E-05 3322773952.57812 0.00 1.5 1.5 35.800 236.600 203.966 74.0 233.0 16.0 320 1334 C 22 H 1 A 1.325 200.825 20 331.6 41.6 5.137E-05 3322773957.51562 0.00 331.6 -28.4 35.800 236.625 203.987 58.5 171.7 31.5 320 1334 C 22 H 1 A 1.350 200.850 20 318.0 38.4 5.511E-05 3322773962.45312 0.00 318.0 -42.0 35.800 236.650 204.009 47.3 161.4 42.7 320 1334 C 22 H 1 A 1.375 200.875 20 330.1 31.0 6.508E-05 3322773967.37500 0.00 330.1 -29.9 35.800 236.675 204.030 59.6 157.6 30.4 320 1334 C 22 H 1 A 1.400 200.900 20 293.0 55.2 4.217E-05 3322773972.31250 0.00 293.0 -67.0 35.800 236.700 204.052 23.3 173.6 66.7 320 1334 C 22 H 1 A 1.425 200.925 20 293.5 65.5 3.731E-05 3322773977.25000 0.00 293.5 -66.5 35.800 236.725 204.073 21.6 186.4 68.4 320 1334 C 22 H 2 A 0.075 201.075 20 357.9 10.8 2.231E-05 3322774721.68750 0.00 357.9 -2.1 35.800 236.875 204.203 86.7 87.4 3.3 320 1334 C 22 H 2 A 0.100 201.100 20 294.3 62.3 2.334E-05 3322774726.62500 0.00 294.3 -65.7 35.800 236.900 204.224 23.0 182.2 67.0 320 1334 C 22 H 2 A 0.125 201.125 20 340.2 79.9 2.856E-05 3322774731.54687 0.00 340.2 -19.8 35.800 236.925 204.246 26.4 220.7 63.7 320 1334 C 22 H 2 A 0.150 201.150 20 265.6 73.6 3.083E-05 3322774736.48437 0.00 265.6 265.6 35.800 236.950 204.267 4.7 197.5 85.3 320 1334 C 22 H 2 A 0.175 201.175 20 195.4 62.6 3.606E-05 3322774741.40625 0.00 195.4 195.4 35.800 236.975 204.289 -36.2 214.3 126.2 320 1334 C 22 H 2 A 0.200 201.200 20 44.2 79.9 3.209E-05 3322774746.34375 0.00 44.2 44.2 35.800 237.000 204.310 21.7 242.6 68.3 320 1334 C 22 H 2 A 0.225 201.225 20 79.1 71.8 2.794E-05 3322774751.28125 0.00 79.1 79.1 35.800 237.025 204.332 12.7 261.6 77.3 320 1334 C 22 H 2 A 0.250 201.250 20 102.0 60.5 2.885E-05 3322774756.20312 0.00 102.0 102.0 35.800 237.050 204.353 -3.6 275.3 93.6 320 1334 C 22 H 2 A 0.275 201.275 20 149.6 64.1 2.881E-05 3322774761.14062 0.00 149.6 149.6 35.800 237.075 204.375 -29.7 252.0 119.7 320 1334 C 22 H 2 A 0.300 201.300 20 19.7 70.4 2.684E-05 3322774766.06250 0.00 19.7 19.7 35.800 237.100 204.397 40.9 243.0 49.1 320 1334 C 22 H 2 A 0.325 201.325 20 31.5 77.3 2.759E-05 3322774771.00000 0.00 31.5 31.5 35.800 237.125 204.418 28.3 242.1 61.7 320 1334 C 22 H 2 A 0.350 201.350 20 348.9 64.4 3.351E-05 3322774775.93750 0.00 348.9 -11.1 35.800 237.150 204.440 50.6 215.9 39.4 320 1334 C 22 H 2 A 0.375 201.375 20 336.6 58.5 3.782E-05 3322774780.85937 0.00 336.6 -23.4 35.800 237.175 204.461 52.4 197.8 37.6 320 1334 C 22 H 2 A 0.400 201.400 20 335.4 75.9 3.549E-05 3322774785.79687 0.00 335.4 -24.6 35.800 237.200 204.483 31.9 215.3 58.1 320 1334 C 22 H 2 A 0.425 201.425 20 181.8 63.1 4.005E-05 3322774790.73437 0.00 181.8 181.8 35.800 237.225 204.504 -37.4 226.4 127.4 320 1334 C 22 H 2 A 0.450 201.450 20 186.4 69.3 3.770E-05 3322774795.65625 0.00 186.4 186.4 35.800 237.250 204.526 -28.8 223.6 118.8 320 1334 C 22 H 2 A 0.475 201.475 20 53.0 69.8 3.609E-05 3322774800.59375 0.00 53.0 53.0 35.800 237.275 204.547 27.7 260.4 62.3 320 1334 C 22 H 2 A 0.500 201.500 20 108.1 67.0 3.913E-05 3322774805.53125 0.00 108.1 108.1 35.800 237.300 204.569 -5.3 266.2 95.3 320 1334 C 22 H 2 A 0.525 201.525 20 103.9 74.8 4.206E-05 3322774810.45312 0.00 103.9 103.9 35.800 237.325 204.591 0.5 255.6 89.5 320 1334 C 22 H 2 A 0.550 201.550 20 279.4 52.8 5.487E-05 3322774815.39062 0.00 279.4 -80.6 35.800 237.350 204.612 12.2 170.6 77.8 320 1334 C 22 H 2 A 0.575 201.575 20 321.0 24.1 1.034E-04 3322774820.32812 0.00 321.0 -39.0 35.800 237.375 204.634 51.4 148.2 38.6 320 1334 C 22 H 2 A 0.600 201.600 20 316.3 21.0 1.400E-04 3322774825.25000 0.00 316.3 -43.7 35.800 237.400 204.655 46.8 145.4 43.2 320 1334 C 22 H 2 A 0.625 201.625 20 318.4 27.0 1.298E-04 3322774830.17187 0.00 318.4 -41.6 35.800 237.425 204.677 48.8 150.6 41.2 320 1334 C 22 H 2 A 0.650 201.650 20 317.2 39.8 9.613E-05 3322774835.10937 0.00 317.2 -42.8 35.800 237.450 204.698 46.4 162.6 43.6 320 1334 C 22 H 2 A 0.675 201.675 20 333.6 61.9 6.090E-05 3322774840.03125 0.00 333.6 -26.4 35.800 237.475 204.720 48.0 199.0 42.1 320 1334 C 22 H 2 A 0.700 201.700 20 163.0 56.5 5.189E-05 3322774844.96875 0.00 163.0 163.0 35.800 237.500 204.741 -42.2 246.4 132.2 320 1334 C 22 H 2 A 0.725 201.725 20 181.5 48.8 4.218E-05 3322774849.90625 0.00 181.5 181.5 35.800 237.525 204.763 -52.2 225.9 142.2 320 1334 C 22 H 2 A 0.750 201.750 20 179.6 35.6 5.667E-05 3322774854.84375 0.00 179.6 179.6 35.800 237.550 204.784 -62.3 228.8 152.3 320 1334 C 22 H 2 A 0.775 201.775 20 195.1 56.8 4.236E-05 3322774859.76562 0.00 195.1 195.1 35.800 237.575 204.806 -42.5 211.7 132.5 320 1334 C 22 H 2 A 0.800 201.800 20 170.9 74.9 3.424E-05 3322774864.70312 0.00 170.9 170.9 35.800 237.600 204.828 -20.0 232.6 110.0 320 1334 C 22 H 2 A 0.825 201.825 20 167.6 34.3 5.308E-05 3322774869.64062 0.00 167.6 167.6 35.800 237.625 204.849 -60.5 252.4 150.5 320 1334 C 22 H 2 A 0.850 201.850 20 168.8 58.5 3.037E-05 3322774874.56250 0.00 168.8 168.8 35.800 237.650 204.871 -41.7 239.7 131.7 320 1334 C 22 H 2 A 0.875 201.875 20 182.1 32.9 4.213E-05 3322774879.50000 0.00 182.1 182.1 35.800 237.675 204.892 -64.0 223.5 154.0 320 1334 C 22 H 2 A 0.900 201.900 20 219.5 38.8 4.368E-05 3322774884.42187 0.00 219.5 219.5 35.800 237.700 204.914 -41.1 176.5 131.1 320 1334 C 22 H 2 A 0.925 201.925 20 290.2 45.8 4.080E-05 3322774889.35937 0.00 290.2 -69.8 35.800 237.725 204.935 21.6 164.2 68.4 320 1334 C 22 H 2 A 0.950 201.950 20 257.4 65.0 3.600E-05 3322774894.28125 0.00 257.4 257.4 35.800 237.750 204.957 -2.6 186.2 92.6 320 1334 C 22 H 2 A 0.975 201.975 20 171.8 53.0 4.244E-05 3322774899.21875 0.00 171.8 171.8 35.800 237.775 204.978 -47.7 238.2 137.7 320 1334 C 22 H 2 A 1.000 202.000 20 61.9 71.2 3.544E-05 3322774904.15625 0.00 61.9 61.9 35.800 237.800 205.000 22.2 260.5 67.8 320 1334 C 22 H 2 A 1.025 202.025 20 129.9 57.1 4.158E-05 3322774909.09375 0.00 129.9 129.9 35.800 237.825 205.022 -24.7 269.9 114.7 320 1334 C 22 H 2 A 1.050 202.050 20 84.1 72.9 3.856E-05 3322774914.01562 0.00 84.1 84.1 35.800 237.850 205.043 9.9 260.0 80.1 320 1334 C 22 H 2 A 1.075 202.075 20 167.4 56.8 4.445E-05 3322774918.95312 0.00 167.4 167.4 35.800 237.875 205.065 -43.1 241.8 133.1 320 1334 C 22 H 2 A 1.100 202.100 20 96.2 83.0 3.347E-05 3322774923.89062 0.00 96.2 96.2 35.800 237.900 205.086 6.3 241.8 83.7 320 1334 C 22 H 2 A 1.125 202.125 20 290.5 71.5 3.166E-05 3322774928.81250 0.00 290.5 -69.5 35.800 237.925 205.108 18.0 194.8 72.0 320 1334 C 22 H 2 A 1.150 202.150 20 326.6 40.3 3.721E-05 3322774933.75000 0.00 326.6 -33.4 35.800 237.950 205.129 54.6 166.9 35.4 320 1334 C 22 H 2 A 1.175 202.175 20 355.3 30.6 4.112E-05 3322774938.67187 0.00 355.3 -4.7 35.800 237.975 205.151 80.4 200.0 9.6 320 1334 C 22 H 2 A 1.200 202.200 20 18.9 41.9 3.171E-05 3322774943.60937 0.00 18.9 18.9 35.800 238.000 205.172 65.8 274.1 24.3 320 1334 C 22 H 2 A 1.225 202.225 20 44.3 40.6 2.978E-05 3322774948.53125 0.00 44.3 44.3 35.800 238.025 205.194 44.9 293.1 45.1 320 1334 C 22 H 2 A 1.250 202.250 20 116.0 34.3 3.020E-05 3322774953.46875 0.00 116.0 116.0 35.800 238.050 205.216 -21.5 294.1 111.5 320 1334 C 22 H 2 A 1.275 202.275 20 149.6 36.3 2.949E-05 3322774958.40625 0.00 149.6 149.6 35.800 238.075 205.237 -48.9 274.3 138.9 320 1334 C 22 H 2 A 1.300 202.300 20 117.3 40.1 2.410E-05 3322774963.32812 0.00 117.3 117.3 35.800 238.100 205.259 -21.4 289.6 111.4 320 1334 C 22 H 2 A 1.325 202.325 20 155.8 28.6 3.159E-05 3322774968.26562 0.00 155.8 155.8 35.800 238.125 205.280 -56.6 274.0 146.6 320 1334 C 22 H 2 A 1.350 202.350 20 164.1 23.2 4.134E-05 3322774973.20312 0.00 164.1 164.1 35.800 238.150 205.302 -64.4 266.4 154.4 320 1334 C 22 H 2 A 1.375 202.375 20 115.7 72.3 1.520E-05 3322774978.12500 0.00 115.7 115.7 35.800 238.175 205.323 -6.5 257.2 96.5 320 1334 C 22 H 2 A 1.400 202.400 20 166.5 36.9 2.373E-05 3322774983.06250 0.00 166.5 166.5 35.800 238.200 205.345 -58.5 252.8 148.5 320 1334 C 22 H 2 A 1.425 202.425 20 38.8 67.3 1.572E-05 3322774988.00000 0.00 38.8 38.8 35.800 238.225 205.366 37.0 258.3 53.0 320 1334 C 22 H 3 A 0.075 202.575 20 261.7 88.7 1.769E-05 3322776040.53125 0.00 261.7 261.7 35.800 238.375 205.496 7.6 225.4 82.4 320 1334 C 22 H 3 A 0.100 202.600 20 235.7 37.8 2.910E-05 3322776045.45312 0.00 235.7 235.7 35.800 238.400 205.517 -28.0 167.3 118.0 320 1334 C 22 H 3 A 0.125 202.625 20 308.7 29.8 3.235E-05 3322776050.39062 0.00 308.7 -51.3 35.800 238.425 205.539 39.3 152.2 50.7 320 1334 C 22 H 3 A 0.150 202.650 20 266.8 40.1 2.778E-05 3322776055.31250 0.00 266.8 266.8 35.800 238.450 205.560 0.2 161.1 89.8 320 1334 C 22 H 3 A 0.175 202.675 20 283.6 43.4 2.671E-05 3322776060.25000 0.00 283.6 -76.4 35.800 238.475 205.582 15.7 162.2 74.3 320 1334 C 22 H 3 A 0.200 202.700 20 16.3 64.0 2.513E-05 3322776065.17187 0.00 16.3 16.3 35.800 238.500 205.603 49.8 245.7 40.2 320 1334 C 22 H 3 A 0.225 202.725 20 355.7 74.0 2.710E-05 3322776070.10937 0.00 355.7 -4.3 35.800 238.525 205.625 37.7 225.3 52.3 320 1334 C 22 H 3 A 0.250 202.750 20 185.0 57.8 3.276E-05 3322776075.03125 0.00 185.0 185.0 35.800 238.550 205.647 -43.3 222.6 133.3 320 1334 C 22 H 3 A 0.275 202.775 20 186.0 26.6 5.639E-05 3322776079.96875 0.00 186.0 186.0 35.800 238.575 205.668 -67.2 212.9 157.2 320 1334 C 22 H 3 A 0.300 202.800 20 195.1 34.0 4.011E-05 3322776084.90625 0.00 195.1 195.1 35.800 238.600 205.690 -59.5 198.9 149.5 320 1334 C 22 H 3 A 0.325 202.825 20 191.4 21.6 4.688E-05 3322776089.82812 0.00 191.4 191.4 35.800 238.625 205.711 -67.7 197.3 157.7 320 1334 C 22 H 3 A 0.350 202.850 20 180.8 17.8 5.231E-05 3322776094.76562 0.00 180.8 180.8 35.800 238.650 205.733 -72.9 225.4 162.9 320 1334 C 22 H 3 A 0.375 202.875 20 191.1 22.9 3.365E-05 3322776099.70312 0.00 191.1 191.1 35.800 238.675 205.754 -67.2 198.9 157.2 320 1334 C 22 H 3 A 0.400 202.900 20 218.2 39.9 2.164E-05 3322776104.62500 0.00 218.2 218.2 35.800 238.700 205.776 -41.6 178.3 131.6 320 1334 C 22 H 3 A 0.425 202.925 20 185.3 25.4 4.442E-05 3322776109.56250 0.00 185.3 185.3 35.800 238.725 205.797 -68.0 214.1 158.0 320 1334 C 22 H 3 A 0.475 202.975 20 347.3 51.8 2.604E-05 3322776119.42187 0.00 347.3 -12.7 35.800 238.775 205.841 62.9 204.0 27.1 320 1334 C 22 H 3 A 0.500 203.000 20 198.2 73.0 2.323E-05 3322776124.35937 0.00 198.2 198.2 35.800 238.800 205.862 -21.8 217.9 111.8 320 1334 C 22 H 3 A 0.525 203.025 20 147.3 77.2 2.266E-05 3322776129.28125 0.00 147.3 147.3 35.800 238.825 205.884 -12.6 241.3 102.6 320 1334 C 22 H 3 A 0.550 203.050 20 198.6 65.6 2.742E-05 3322776134.21875 0.00 198.6 198.6 35.800 238.850 205.905 -31.8 213.4 121.8 320 1334 C 22 H 3 A 0.575 203.075 20 349.6 35.5 3.734E-05 3322776139.15625 0.00 349.6 -10.4 35.800 238.875 205.927 74.6 188.2 15.4 320 1334 C 22 H 3 A 0.600 203.100 20 265.2 55.6 2.615E-05 3322776144.07812 0.00 265.2 265.2 35.800 238.900 205.948 0.9 174.4 89.1 320 1334 C 22 H 3 A 0.625 203.125 20 219.7 81.0 2.155E-05 3322776149.01562 0.00 219.7 219.7 35.800 238.925 205.970 -5.6 216.9 95.6 320 1334 C 22 H 3 A 0.650 203.150 20 192.6 50.5 2.798E-05 3322776153.93750 0.00 192.6 192.6 35.800 238.950 205.991 -49.0 211.5 139.0 320 1334 C 22 H 3 A 0.675 203.175 20 341.3 84.2 1.872E-05 3322776158.87500 0.00 341.3 -18.7 35.800 238.975 206.013 18.9 224.2 71.2 320 1334 C 22 H 3 A 0.700 203.200 20 189.4 58.5 2.269E-05 3322776163.79687 0.00 189.4 189.4 35.800 239.000 206.034 -42.0 218.2 132.0 320 1334 C 22 H 3 A 0.725 203.225 20 185.3 57.2 2.627E-05 3322776168.73437 0.00 185.3 185.3 35.800 239.025 206.056 -43.9 222.2 133.9 320 1334 C 22 H 3 A 0.750 203.250 20 189.1 57.9 2.696E-05 3322776173.65625 0.00 189.1 189.1 35.800 239.050 206.078 -42.7 218.3 132.7 320 1334 C 22 H 3 A 0.775 203.275 20 177.8 42.4 3.130E-05 3322776178.59375 0.00 177.8 177.8 35.800 239.075 206.099 -57.4 231.7 147.4 320 1334 C 22 H 3 A 0.800 203.300 20 179.5 55.0 2.015E-05 3322776183.53125 0.00 179.5 179.5 35.800 239.100 206.121 -46.5 228.6 136.5 320 1334 C 22 H 3 A 0.825 203.325 20 176.7 34.8 2.838E-05 3322776188.45312 0.00 176.7 176.7 35.800 239.125 206.142 -62.6 234.8 152.6 320 1334 C 22 H 3 A 0.850 203.350 20 176.5 32.7 3.280E-05 3322776193.39062 0.00 176.5 176.5 35.800 239.150 206.164 -64.0 235.6 154.0 320 1334 C 22 H 3 A 0.875 203.375 20 160.3 51.3 2.323E-05 3322776198.31250 0.00 160.3 160.3 35.800 239.175 206.185 -45.8 252.3 135.8 320 1334 C 22 H 3 A 0.900 203.400 20 191.2 38.0 3.141E-05 3322776203.25000 0.00 191.2 191.2 35.800 239.200 206.207 -58.7 207.7 148.7 320 1334 C 22 H 3 A 0.925 203.425 20 322.1 29.2 2.787E-05 3322776208.17187 0.00 322.1 -37.9 35.800 239.225 206.228 52.2 153.2 37.8 320 1334 C 22 H 3 A 0.950 203.450 20 198.2 34.2 2.556E-05 3322776213.10937 0.00 198.2 198.2 35.800 239.250 206.250 -57.8 194.4 147.8 320 1334 C 22 H 3 A 0.975 203.475 20 207.5 51.9 2.123E-05 3322776218.03125 0.00 207.5 207.5 35.800 239.275 206.272 -41.7 196.6 131.7 320 1334 C 22 H 3 A 1.000 203.500 20 155.5 41.5 2.349E-05 3322776222.96875 0.00 155.5 155.5 35.800 239.300 206.293 -50.2 264.3 140.2 320 1334 C 22 H 3 A 1.025 203.525 20 152.7 24.1 3.143E-05 3322776227.90625 0.00 152.7 152.7 35.800 239.325 206.315 -55.9 281.1 145.9 320 1334 C 22 H 3 A 1.050 203.550 20 118.8 42.3 1.902E-05 3322776232.82812 0.00 118.8 118.8 35.800 239.350 206.336 -22.1 287.5 112.1 320 1334 C 22 H 3 A 1.075 203.575 20 140.1 38.2 2.904E-05 3322776237.76562 0.00 140.1 140.1 35.800 239.375 206.358 -41.0 280.3 131.0 320 1334 C 22 H 3 A 1.100 203.600 20 71.0 57.3 2.463E-05 3322776242.68750 0.00 71.0 71.0 35.800 239.400 206.379 19.9 280.5 70.1 320 1334 C 22 H 3 A 1.125 203.625 20 214.8 51.2 2.656E-05 3322776247.62500 0.00 214.8 214.8 35.800 239.425 206.401 -38.1 190.0 128.1 320 1334 C 22 H 3 A 1.150 203.650 20 228.6 40.8 2.818E-05 3322776252.56250 0.00 228.6 228.6 35.800 239.450 206.422 -33.1 172.7 123.1 320 1334 C 22 H 3 A 1.175 203.675 20 315.3 43.5 2.807E-05 3322776257.48437 0.00 315.3 -44.7 35.800 239.475 206.444 44.1 165.8 45.9 320 1334 C 22 H 3 A 1.200 203.700 20 230.5 55.8 2.670E-05 3322776262.42187 0.00 230.5 230.5 35.800 239.500 206.466 -25.1 184.7 115.1 320 1334 C 22 H 3 A 1.225 203.725 20 213.5 75.4 2.124E-05 3322776267.35937 0.00 213.5 213.5 35.800 239.525 206.487 -15.0 212.7 105.0 320 1334 C 22 H 3 A 1.250 203.750 20 160.5 58.8 2.290E-05 3322776272.28125 0.00 160.5 160.5 35.800 239.550 206.509 -39.1 247.4 129.1 320 1334 C 22 H 3 A 1.275 203.775 20 166.4 46.9 2.858E-05 3322776277.21875 0.00 166.4 166.4 35.800 239.575 206.530 -51.6 247.5 141.6 320 1334 C 22 H 3 A 1.300 203.800 20 148.3 50.6 2.655E-05 3322776282.15625 0.00 148.3 148.3 35.800 239.600 206.552 -40.3 264.1 130.3 320 1334 C 22 H 3 A 1.325 203.825 20 176.4 28.5 4.080E-05 3322776287.07812 0.00 176.4 176.4 35.800 239.625 206.573 -66.5 236.8 156.5 320 1334 C 22 H 3 A 1.350 203.850 20 181.0 38.7 3.317E-05 3322776292.01562 0.00 181.0 181.0 35.800 239.650 206.595 -60.2 226.2 150.2 320 1334 C 22 H 3 A 1.375 203.875 20 2.8 57.8 2.527E-05 3322776296.93750 0.00 2.8 2.8 35.800 239.675 206.616 59.5 232.3 30.6 320 1334 C 22 H 3 A 1.400 203.900 20 202.5 54.4 3.299E-05 3322776301.87500 0.00 202.5 202.5 35.800 239.700 206.638 -42.1 203.0 132.1 320 1334 C 22 H 3 A 1.425 203.925 20 210.4 51.6 3.336E-05 3322776306.79687 0.00 210.4 210.4 35.800 239.725 206.659 -40.4 193.8 130.4 320 1334 C 22 H 4 A 0.100 204.100 20 12.1 23.1 2.740E-05 3322777013.18750 0.00 12.1 12.1 35.800 239.900 206.810 77.4 298.3 12.6 320 1334 C 22 H 4 A 0.150 204.150 20 31.3 40.5 2.125E-05 3322777018.50000 0.00 31.3 31.3 35.800 239.950 206.853 56.4 287.7 33.6 320 1334 C 22 H 4 A 0.200 204.200 20 176.3 14.9 5.318E-05 3322777023.82812 0.00 176.3 176.3 35.800 240.000 206.897 -74.0 241.4 164.0 320 1334 C 22 H 4 A 0.250 204.250 20 315.6 16.7 1.654E-05 3322777029.15625 0.00 315.6 -44.4 35.800 240.050 206.940 46.1 142.0 43.9 320 1334 C 22 H 4 A 0.300 204.300 20 267.3 61.4 8.336E-06 3322777034.48437 0.00 267.3 267.3 35.800 240.100 206.983 3.4 180.5 86.6 320 1334 C 22 H 4 A 0.350 204.350 20 213.7 21.4 4.869E-05 3322777039.81250 0.00 213.7 213.7 35.800 240.150 207.026 -51.4 167.2 141.4 320 1334 C 22 H 4 A 0.400 204.400 20 267.8 22.0 5.955E-05 3322777045.12500 0.00 267.8 267.8 35.800 240.200 207.069 -0.6 149.6 90.6 320 1334 C 22 H 4 A 0.450 204.450 20 186.9 43.4 2.950E-05 3322777050.45312 0.00 186.9 186.9 35.800 240.250 207.112 -56.0 216.8 146.0 320 1334 C 22 H 4 A 0.500 204.500 20 157.0 68.8 1.355E-05 3322777055.78125 0.00 157.0 157.0 35.800 240.300 207.155 -26.7 243.6 116.7 320 1334 C 22 H 4 A 0.550 204.550 20 189.4 28.1 3.571E-05 3322777061.10937 0.00 189.4 189.4 35.800 240.350 207.198 -65.2 205.9 155.2 320 1334 C 22 H 4 A 0.600 204.600 20 173.0 34.2 3.294E-05 3322777066.42187 0.00 173.0 173.0 35.800 240.400 207.241 -62.4 242.4 152.4 320 1334 C 22 H 4 A 0.650 204.650 20 199.0 50.4 1.810E-05 3322777071.75000 0.00 199.0 199.0 35.800 240.450 207.284 -46.8 204.0 136.8 320 1334 C 22 H 4 A 0.700 204.700 20 167.5 17.1 3.529E-05 3322777077.07812 0.00 167.5 167.5 35.800 240.500 207.328 -69.1 264.9 159.1 320 1334 C 22 H 4 A 0.750 204.750 20 232.0 43.9 1.924E-05 3322777082.40625 0.00 232.0 232.0 35.800 240.550 207.371 -29.3 173.5 119.3 320 1334 C 22 H 4 A 0.800 204.800 20 256.9 23.1 2.177E-05 3322777087.73437 0.00 256.9 256.9 35.800 240.600 207.414 -11.0 152.0 101.0 320 1334 C 22 H 4 A 0.850 204.850 20 173.3 9.6 6.549E-05 3322777093.06250 0.00 173.3 173.3 35.800 240.650 207.457 -75.5 255.8 165.5 320 1334 C 22 H 4 A 0.900 204.900 20 210.4 45.6 2.687E-05 3322777098.37500 0.00 210.4 210.4 35.800 240.700 207.500 -44.2 189.1 134.2 320 1334 C 22 H 4 A 0.950 204.950 20 232.2 66.3 2.120E-05 3322777103.70312 0.00 232.2 232.2 35.800 240.750 207.543 -17.2 195.0 107.2 320 1334 C 22 H 4 A 1.000 205.000 20 168.8 16.5 4.247E-05 3322777109.03125 0.00 168.8 168.8 35.800 240.800 207.586 -70.1 262.5 160.1 320 1334 C 22 H 4 A 1.050 205.050 20 187.3 16.5 2.878E-05 3322777114.35937 0.00 187.3 187.3 35.800 240.850 207.629 -72.0 204.0 162.0 320 1334 C 22 H 4 A 1.100 205.100 20 186.6 8.0 9.998E-05 3322777119.67187 0.00 186.6 186.6 35.800 240.900 207.672 -76.3 199.1 166.3 320 1334 C 22 H 4 A 1.150 205.150 20 3.7 20.6 3.339E-05 3322777125.00000 0.00 3.7 3.7 35.800 240.950 207.716 85.5 281.8 4.5 320 1334 C 22 H 4 A 1.200 205.200 20 28.1 18.5 7.330E-05 3322777130.32812 0.00 28.1 28.1 35.800 241.000 207.759 62.2 312.8 27.8 320 1334 C 22 H 4 A 1.250 205.250 20 138.2 32.7 3.731E-05 3322777135.65625 0.00 138.2 138.2 35.800 241.050 207.802 -41.3 285.7 131.3 320 1334 C 22 H 4 A 1.300 205.300 20 184.3 20.0 3.760E-05 3322777140.98437 0.00 184.3 184.3 35.800 241.100 207.845 -71.2 214.8 161.2 320 1334 C 22 H 4 A 1.350 205.350 20 146.9 23.5 1.992E-05 3322777146.29687 0.00 146.9 146.9 35.800 241.150 207.888 -51.4 286.7 141.4 320 1334 C 22 H 4 A 1.400 205.400 20 166.7 17.2 4.469E-05 3322777151.62500 0.00 166.7 166.7 35.800 241.200 207.931 -68.6 266.6 158.6 320 1334 C 22 H 5 A 0.075 205.575 20 32.4 54.4 7.956E-05 3322777853.98437 0.00 32.4 32.4 35.800 241.375 208.082 49.9 271.1 40.1 320 1334 C 22 H 5 A 0.100 205.600 20 285.8 47.0 9.254E-05 3322777858.92187 0.00 285.8 -74.2 35.800 241.400 208.103 17.7 165.2 72.3 320 1334 C 22 H 5 A 0.125 205.625 20 268.0 26.8 9.432E-05 3322777863.85937 0.00 268.0 268.0 35.800 241.425 208.125 0.0 152.3 90.0 320 1334 C 22 H 5 A 0.150 205.650 20 265.4 29.0 4.289E-05 3322777868.78125 0.00 265.4 265.4 35.800 241.450 208.147 -2.3 154.0 92.3 320 1334 C 22 H 5 A 0.175 205.675 20 180.9 29.5 1.474E-05 3322777873.71875 0.00 180.9 180.9 35.800 241.475 208.168 -66.2 225.9 156.2 320 1334 C 22 H 5 A 0.200 205.700 20 40.4 9.3 2.958E-05 3322777878.65625 0.00 40.4 40.4 35.800 241.500 208.190 49.7 320.2 40.3 320 1334 C 22 H 5 A 0.225 205.725 20 108.8 21.8 2.834E-05 3322777883.57812 0.00 108.8 108.8 35.800 241.525 208.211 -16.6 303.6 106.6 320 1334 C 22 H 5 A 0.250 205.750 20 110.0 32.1 3.580E-05 3322777888.51562 0.00 110.0 110.0 35.800 241.550 208.233 -16.4 297.2 106.4 320 1334 C 22 H 5 A 0.275 205.775 20 153.2 33.8 4.610E-05 3322777893.43750 0.00 153.2 153.2 35.800 241.575 208.254 -52.6 272.7 142.6 320 1334 C 22 H 5 A 0.300 205.800 20 130.7 42.4 3.514E-05 3322777898.37500 0.00 130.7 130.7 35.800 241.600 208.276 -32.0 282.4 122.0 320 1334 C 22 H 5 A 0.325 205.825 20 150.5 24.0 4.593E-05 3322777903.31250 0.00 150.5 150.5 35.800 241.625 208.297 -54.2 283.3 144.2 320 1334 C 22 H 5 A 0.350 205.850 20 146.6 22.8 3.871E-05 3322777908.23437 0.00 146.6 146.6 35.800 241.650 208.319 -51.3 287.5 141.3 320 1334 C 22 H 5 A 0.375 205.875 20 141.4 26.2 2.780E-05 3322777913.17187 0.00 141.4 141.4 35.800 241.675 208.341 -45.9 288.6 135.9 320 1334 C 22 H 5 A 0.400 205.900 20 156.0 38.1 2.380E-05 3322777918.10937 0.00 156.0 156.0 35.800 241.700 208.362 -52.3 266.3 142.3 320 1334 C 22 H 5 A 0.425 205.925 20 181.9 25.4 4.124E-05 3322777923.03125 0.00 181.9 181.9 35.800 241.725 208.384 -68.6 223.0 158.6 320 1334 C 22 H 5 A 0.450 205.950 20 171.0 35.3 2.750E-05 3322777927.96875 0.00 171.0 171.0 35.800 241.750 208.405 -61.1 245.8 151.1 320 1334 C 22 H 5 A 0.475 205.975 20 86.6 38.4 1.995E-05 3322777932.90625 0.00 86.6 86.6 35.800 241.775 208.427 6.1 297.0 83.9 320 1334 C 22 H 5 A 0.500 206.000 20 124.0 36.6 1.769E-05 3322777937.84375 0.00 124.0 124.0 35.800 241.800 208.448 -28.1 289.8 118.1 320 1334 C 22 H 5 A 0.525 206.025 20 144.0 16.9 3.680E-05 3322777942.76562 0.00 144.0 144.0 35.800 241.825 208.470 -50.5 293.9 140.5 320 1334 C 22 H 5 A 0.550 206.050 20 160.8 19.4 3.173E-05 3322777947.70312 0.00 160.8 160.8 35.800 241.850 208.491 -63.8 275.1 153.8 320 1334 C 22 H 5 A 0.575 206.075 20 45.0 15.4 2.134E-05 3322777952.64062 0.00 45.0 45.0 35.800 241.875 208.513 45.5 315.0 44.6 320 1334 C 22 H 5 A 0.600 206.100 20 145.6 52.5 9.400E-06 3322777957.56250 0.00 145.6 145.6 35.800 241.900 208.534 -37.5 264.7 127.5 320 1334 C 22 H 5 A 0.625 206.125 20 136.5 20.7 2.891E-05 3322777962.50000 0.00 136.5 136.5 35.800 241.925 208.556 -42.8 295.3 132.8 320 1334 C 22 H 5 A 0.650 206.150 20 152.9 47.2 1.808E-05 3322777967.43750 0.00 152.9 152.9 35.800 241.950 208.578 -45.2 262.7 135.2 320 1334 C 22 H 5 A 0.675 206.175 20 160.8 21.8 4.415E-05 3322777972.35937 0.00 160.8 160.8 35.800 241.975 208.599 -62.8 273.0 152.8 320 1334 C 22 H 5 A 0.700 206.200 20 157.7 21.9 5.418E-05 3322777977.29687 0.00 157.7 157.7 35.800 242.000 208.621 -60.6 277.2 150.6 320 1334 C 22 H 5 A 0.725 206.225 20 140.9 21.3 6.329E-05 3322777982.23437 0.00 140.9 140.9 35.800 242.025 208.642 -46.7 292.5 136.7 320 1334 C 22 H 5 A 0.750 206.250 20 141.0 16.9 7.126E-05 3322777987.15625 0.00 141.0 141.0 35.800 242.050 208.664 -47.7 295.7 137.7 320 1334 C 22 H 5 A 0.775 206.275 20 153.3 13.7 7.567E-05 3322777992.09375 0.00 153.3 153.3 35.800 242.075 208.685 -59.5 289.4 149.5 320 1334 C 22 H 5 A 0.800 206.300 20 157.4 18.9 3.991E-05 3322777997.03125 0.00 157.4 157.4 35.800 242.100 208.707 -61.4 280.2 151.4 320 1334 C 22 H 5 A 0.825 206.325 20 164.4 13.3 5.100E-05 3322778001.95312 0.00 164.4 164.4 35.800 242.125 208.728 -68.6 275.0 158.6 320 1334 C 22 H 5 A 0.850 206.350 20 166.9 14.4 5.539E-05 3322778006.89062 0.00 166.9 166.9 35.800 242.150 208.750 -69.9 268.8 159.9 320 1334 C 22 H 5 A 0.875 206.375 20 154.0 19.2 4.195E-05 3322778011.81250 0.00 154.0 154.0 35.800 242.175 208.772 -58.5 283.9 148.5 320 1334 C 22 H 5 A 0.900 206.400 20 155.2 24.1 3.567E-05 3322778016.75000 0.00 155.2 155.2 35.800 242.200 208.793 -57.9 278.4 147.9 320 1334 C 22 H 5 A 0.925 206.425 20 128.2 69.5 1.578E-05 3322778021.68750 0.00 128.2 128.2 35.800 242.225 208.815 -14.8 257.2 104.8 320 1334 C 22 H 5 A 0.950 206.450 20 185.1 40.7 2.339E-05 3322778026.60937 0.00 185.1 185.1 35.800 242.250 208.836 -58.3 219.1 148.3 320 1334 C 22 H 5 A 0.975 206.475 20 169.3 30.1 3.284E-05 3322778031.54687 0.00 169.3 169.3 35.800 242.275 208.858 -63.6 251.7 153.6 320 1334 C 22 H 5 A 1.000 206.500 20 142.3 27.4 3.684E-05 3322778036.48437 0.00 142.3 142.3 35.800 242.300 208.879 -46.4 287.1 136.4 320 1334 C 22 H 5 A 1.025 206.525 20 151.6 18.0 4.982E-05 3322778041.40625 0.00 151.6 151.6 35.800 242.325 208.901 -56.9 287.3 146.9 320 1334 C 22 H 5 A 1.050 206.550 20 161.9 16.5 5.295E-05 3322778046.34375 0.00 161.9 161.9 35.800 242.350 208.922 -65.6 276.1 155.6 320 1334 C 22 H 5 A 1.075 206.575 20 162.6 19.8 5.810E-05 3322778051.28125 0.00 162.6 162.6 35.800 242.375 208.944 -64.9 271.9 154.9 320 1334 C 22 H 5 A 1.100 206.600 20 140.7 21.1 5.645E-05 3322778056.20312 0.00 140.7 140.7 35.800 242.400 208.966 -46.6 292.8 136.6 320 1334 C 22 H 5 A 1.125 206.625 20 146.6 23.2 3.865E-05 3322778061.14062 0.00 146.6 146.6 35.800 242.425 208.987 -51.2 287.2 141.2 320 1334 C 22 H 5 A 1.150 206.650 20 166.8 23.3 2.879E-05 3322778066.06250 0.00 166.8 166.8 35.800 242.450 209.009 -66.0 261.2 156.0 320 1334 C 22 H 5 A 1.175 206.675 20 68.3 71.4 9.573E-06 3322778071.00000 0.00 68.3 68.3 35.800 242.475 209.030 18.7 261.2 71.3 320 1334 C 22 H 5 A 1.200 206.700 20 130.0 38.8 1.369E-05 3322778075.92187 0.00 130.0 130.0 35.800 242.500 209.052 -32.6 285.6 122.6 320 1334 C 22 H 5 A 1.225 206.725 20 114.7 17.6 2.903E-05 3322778080.85937 0.00 114.7 114.7 35.800 242.525 209.073 -22.8 304.7 112.8 320 1334 C 22 H 5 A 1.250 206.750 20 122.7 18.2 3.528E-05 3322778085.79687 0.00 122.7 122.7 35.800 242.550 209.095 -30.4 302.2 120.4 320 1334 C 22 H 5 A 1.275 206.775 20 143.6 21.6 3.961E-05 3322778090.73437 0.00 143.6 143.6 35.800 242.575 209.116 -49.0 290.6 139.0 320 1334 C 22 H 5 A 1.300 206.800 20 133.6 25.7 3.968E-05 3322778095.65625 0.00 133.6 133.6 35.800 242.600 209.138 -39.2 293.3 129.2 320 1334 C 22 H 5 A 1.325 206.825 20 160.4 26.1 4.384E-05 3322778100.59375 0.00 160.4 160.4 35.800 242.625 209.159 -60.8 269.9 150.8 320 1334 C 22 H 5 A 1.350 206.850 20 155.1 32.9 4.189E-05 3322778105.53125 0.00 155.1 155.1 35.800 242.650 209.181 -54.3 271.3 144.3 320 1334 C 22 H 5 A 1.375 206.875 20 123.4 30.4 3.525E-05 3322778110.45312 0.00 123.4 123.4 35.800 242.675 209.203 -28.9 294.3 118.9 320 1334 C 22 H 5 A 1.400 206.900 20 151.1 15.6 4.352E-05 3322778115.39062 0.00 151.1 151.1 35.800 242.700 209.224 -57.1 289.7 147.1 320 1334 C 22 H 5 A 1.425 206.925 20 156.1 16.5 3.261E-05 3322778120.31250 0.00 156.1 156.1 35.800 242.725 209.246 -61.1 284.0 151.1 320 1334 C 22 H 6 A 0.075 207.075 20 143.2 43.8 4.344E-05 3322778883.57812 0.00 143.2 143.2 35.800 242.875 209.375 -40.9 273.6 130.9 320 1334 C 22 H 6 A 0.100 207.100 20 200.0 29.8 5.252E-05 3322778888.51562 0.00 200.0 200.0 35.800 242.900 209.397 -58.9 188.5 148.9 320 1334 C 22 H 6 A 0.125 207.125 20 254.0 29.6 2.958E-05 3322778893.43750 0.00 254.0 254.0 35.800 242.925 209.418 -13.0 156.4 103.0 320 1334 C 22 H 6 A 0.150 207.150 20 201.2 21.6 2.882E-05 3322778898.37500 0.00 201.2 201.2 35.800 242.950 209.440 -61.5 180.0 151.5 320 1334 C 22 H 6 A 0.175 207.175 20 180.0 11.8 3.843E-05 3322778903.29687 0.00 180.0 180.0 35.800 242.975 209.461 -76.0 228.0 166.0 320 1334 C 22 H 6 A 0.200 207.200 20 163.4 34.4 1.379E-05 3322778908.23437 0.00 163.4 163.4 35.800 243.000 209.483 -58.5 259.2 148.5 320 1334 C 22 H 6 A 0.225 207.225 20 191.7 19.7 2.625E-05 3322778913.15625 0.00 191.7 191.7 35.800 243.025 209.504 -68.4 195.1 158.4 320 1334 C 22 H 6 A 0.250 207.250 20 191.9 29.9 1.679E-05 3322778918.09375 0.00 191.9 191.9 35.800 243.050 209.526 -63.2 201.9 153.2 320 1334 C 22 H 6 A 0.275 207.275 20 174.8 11.6 5.031E-05 3322778923.03125 0.00 174.8 174.8 35.800 243.075 209.547 -75.2 248.7 165.2 320 1334 C 22 H 6 A 0.300 207.300 20 156.2 17.3 3.531E-05 3322778927.96875 0.00 156.2 156.2 35.800 243.100 209.569 -60.9 283.1 150.9 320 1334 C 22 H 6 A 0.325 207.325 20 164.0 15.3 5.330E-05 3322778932.89062 0.00 164.0 164.0 35.800 243.125 209.591 -67.6 273.7 157.6 320 1334 C 22 H 6 A 0.350 207.350 20 162.1 25.2 3.751E-05 3322778937.82812 0.00 162.1 162.1 35.800 243.150 209.612 -62.3 268.1 152.3 320 1334 C 22 H 6 A 0.375 207.375 20 164.4 23.3 4.286E-05 3322778942.76562 0.00 164.4 164.4 35.800 243.175 209.634 -64.6 265.8 154.6 320 1334 C 22 H 6 A 0.400 207.400 20 168.8 21.4 4.734E-05 3322778947.68750 0.00 168.8 168.8 35.800 243.200 209.655 -67.9 258.5 157.9 320 1334 C 22 H 6 A 0.425 207.425 20 172.2 14.2 6.220E-05 3322778952.62500 0.00 172.2 172.2 35.800 243.225 209.677 -72.9 255.3 162.9 320 1334 C 22 H 6 A 0.450 207.450 20 169.8 16.5 4.596E-05 3322778957.54687 0.00 169.8 169.8 35.800 243.250 209.698 -70.7 260.0 160.7 320 1334 C 22 H 6 A 0.475 207.475 20 153.2 32.6 2.195E-05 3322778962.48437 0.00 153.2 153.2 35.800 243.275 209.720 -53.1 273.7 143.1 320 1334 C 22 H 6 A 0.500 207.500 20 169.4 20.5 4.042E-05 3322778967.40625 0.00 169.4 169.4 35.800 243.300 209.741 -68.6 257.8 158.6 320 1334 C 22 H 6 A 0.525 207.525 20 161.1 22.7 4.257E-05 3322778972.34375 0.00 161.1 161.1 35.800 243.325 209.763 -62.7 271.7 152.7 320 1334 C 22 H 6 A 0.550 207.550 20 179.2 20.4 5.753E-05 3322778977.28125 0.00 179.2 179.2 35.800 243.350 209.784 -71.5 230.5 161.5 320 1334 C 22 H 6 A 0.575 207.575 20 288.1 57.6 1.813E-05 3322778982.20312 0.00 288.1 -71.9 35.800 243.375 209.806 19.1 175.8 70.9 320 1334 C 22 H 6 A 0.600 207.600 20 254.1 24.4 4.263E-05 3322778987.14062 0.00 254.1 254.1 35.800 243.400 209.828 -13.5 153.3 103.5 320 1334 C 22 H 6 A 0.625 207.625 20 243.7 26.4 5.848E-05 3322778992.06250 0.00 243.7 243.7 35.800 243.425 209.849 -23.1 157.0 113.1 320 1334 C 22 H 6 A 0.650 207.650 20 244.8 28.2 7.794E-05 3322778997.00000 0.00 244.8 244.8 35.800 243.450 209.871 -21.8 157.8 111.8 320 1334 C 22 H 6 A 0.675 207.675 20 216.4 34.3 7.513E-05 3322779001.93750 0.00 216.4 216.4 35.800 243.475 209.892 -45.2 175.2 135.2 320 1334 C 22 H 6 A 0.700 207.700 20 178.9 25.5 8.147E-05 3322779006.85937 0.00 178.9 178.9 35.800 243.500 209.914 -68.6 231.0 158.6 320 1334 C 22 H 6 A 0.725 207.725 20 158.6 23.3 5.840E-05 3322779011.79687 0.00 158.6 158.6 35.800 243.525 209.935 -60.7 274.8 150.7 320 1334 C 22 H 6 A 0.750 207.750 20 142.8 13.6 6.105E-05 3322779016.73437 0.00 142.8 142.8 35.800 243.550 209.957 -50.0 297.2 140.0 320 1334 C 22 H 6 A 0.775 207.775 20 150.4 11.0 5.537E-05 3322779021.65625 0.00 150.4 150.4 35.800 243.575 209.978 -57.5 294.3 147.5 320 1334 C 22 H 6 A 0.800 207.800 20 170.1 10.5 6.628E-05 3322779026.59375 0.00 170.1 170.1 35.800 243.600 210.000 -73.4 264.9 163.4 320 1334 C 22 H 6 A 0.825 207.825 20 185.2 11.2 7.938E-05 3322779031.53125 0.00 185.2 185.2 35.800 243.625 210.022 -75.4 207.1 165.4 320 1334 C 22 H 6 A 0.850 207.850 20 192.6 15.7 5.579E-05 3322779036.45312 0.00 192.6 192.6 35.800 243.650 210.043 -69.7 189.6 159.7 320 1334 C 22 H 6 A 0.875 207.875 20 173.9 14.2 5.864E-05 3322779041.39062 0.00 173.9 173.9 35.800 243.675 210.065 -73.6 250.0 163.6 320 1334 C 22 H 6 A 0.900 207.900 20 177.1 19.1 4.143E-05 3322779046.31250 0.00 177.1 177.1 35.800 243.700 210.086 -71.9 237.3 161.9 320 1334 C 22 H 6 A 0.925 207.925 20 155.1 44.7 1.568E-05 3322779051.25000 0.00 155.1 155.1 35.800 243.725 210.108 -48.0 262.4 138.0 320 1334 C 22 H 6 A 0.950 207.950 20 158.5 19.1 3.710E-05 3322779056.18750 0.00 158.5 158.5 35.800 243.750 210.129 -62.1 278.6 152.1 320 1334 C 22 H 6 A 0.975 207.975 20 161.9 20.6 3.042E-05 3322779061.10937 0.00 161.9 161.9 35.800 243.775 210.151 -64.1 272.3 154.1