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-6.2795 3 1896.4564246 43513 2022019 1919 C-13-H3C-13-N 354838.2548 0.0145 -5.3098 3 1714.7939492 43513 2022018 1918 C-13-H3C-13-N 355066.8890 0.0107 -5.0873 3 1542.7178246 43513 2022017 1917 C-13-H3C-13-N 355282.9377 0.0077 -4.6354 3 1380.2667246 43513 2022016 1916 C-13-H3C-13-N 355486.3198 0.0055 -3.9310 3 1227.4767492 43513 2022015 1915 C-13-H3C-13-N 355676.9580 0.0038 -3.8669 3 1084.3824246 43513 2022014 1914 C-13-H3C-13-N 355854.7789 0.0028 -3.5347 3 951.0157246 43513 2022013 1913 C-13-H3C-13-N 356019.7136 0.0022 -2.9312 3 827.4067492 43513 2022012 1912 C-13-H3C-13-N 356171.6976 0.0019 -2.9574 3 713.5832246 43513 2022011 1911 C-13-H3C-13-N 356310.6709 0.0018 -2.7089 3 609.5710246 43513 2022010 1910 C-13-H3C-13-N 356436.5784 0.0016 -2.1848 3 515.3935492 43513 20220 9 19 9 C-13-H3C-13-N 356549.3698 0.0014 -2.2874 3 431.0721246 43513 20220 8 19 8 C-13-H3C-13-N 356648.9996 0.0012 -2.1131 3 356.6258246 43513 20220 7 19 7 C-13-H3C-13-N 356735.4278 0.0010 -1.6616 3 292.0714492 43513 20220 6 19 6 C-13-H3C-13-N 356808.6191 0.0009 -1.8357 3 237.4237246 43513 20220 5 19 5 C-13-H3C-13-N 356868.5438 0.0009 -1.7321 3 192.6950246 43513 20220 4 19 4 C-13-H3C-13-N 356915.1774 0.0010 -1.3506 3 157.8955492 43513 20220 3 19 3 C-13-H3C-13-N 356948.5008 0.0011 -1.5943 3 133.0331246 43513 20220 2 19 2 C-13-H3C-13-N 356968.5003 0.0012 -1.5599 3 118.1133246 43513 20220 1 19 1 C-13-H3C-13-N 356975.1677 0.0012 -1.5484 3 113.1397246 43513 20220 0 19 0 C-13-H3C-13-N 372049.4874 0.0261 -6.6607 3 2099.4844258 43513 2022120 2020 C-13-H3C-13-N 372315.5939 0.0202 -5.9716 3 1908.2845258 43513 2022119 2019 C-13-H3C-13-N 372568.6733 0.0153 -5.1265 3 1726.6300516 43513 2022118 2018 C-13-H3C-13-N 372808.6328 0.0113 -4.9549 3 1554.5616258 43513 2022117 2017 C-13-H3C-13-N 373035.3834 0.0081 -4.5307 3 1392.1176258 43513 2022116 2016 C-13-H3C-13-N 373248.8398 0.0057 -3.8437 3 1239.3345516 43513 2022115 2015 C-13-H3C-13-N 373448.9209 0.0040 -3.7915 3 1096.2465258 43513 2022114 2014 C-13-H3C-13-N 373635.5497 0.0029 -3.4679 3 962.8857258 43513 2022113 2013 C-13-H3C-13-N 373808.6540 0.0023 -2.8709 3 839.2822516 43513 2022112 2012 C-13-H3C-13-N 373968.1660 0.0020 -2.9021 3 725.4638258 43513 2022111 2011 C-13-H3C-13-N 374114.0229 0.0018 -2.6575 3 621.4563258 43513 2022110 2010 C-13-H3C-13-N 374246.1668 0.0016 -2.1365 3 527.2830516 43513 20221 9 20 9 C-13-H3C-13-N 374364.5448 0.0014 -2.2416 3 442.9653258 43513 20221 8 20 8 C-13-H3C-13-N 374469.1094 0.0012 -2.0693 3 368.5223258 43513 20221 7 20 7 C-13-H3C-13-N 374559.8183 0.0010 -1.6195 3 303.9709516 43513 20221 6 20 6 C-13-H3C-13-N 374636.6348 0.0009 -1.7949 3 249.3256258 43513 20221 5 20 5 C-13-H3C-13-N 374699.5276 0.0009 -1.6923 3 204.5989258 43513 20221 4 20 4 C-13-H3C-13-N 374748.4709 0.0010 -1.3116 3 169.8009516 43513 20221 3 20 3 C-13-H3C-13-N 374783.4448 0.0011 -1.5557 3 144.9396258 43513 20221 2 20 2 C-13-H3C-13-N 374804.4349 0.0012 -1.5216 3 130.0205258 43513 20221 1 20 1 C-13-H3C-13-N 374811.4325 0.0012 -1.5103 3 125.0471258 43513 20221 0 20 0 C-13-H3C-13-N 389461.5618 0.0349 -6.7639 3 2312.5881540 43513 2022221 2121 C-13-H3C-13-N 389753.7515 0.0275 -6.3555 3 2111.8946270 43513 2022220 2120 C-13-H3C-13-N 390032.4006 0.0212 -5.7910 3 1920.7036270 43513 2022219 2119 C-13-H3C-13-N 390297.4085 0.0160 -4.9969 3 1739.0576540 43513 2022218 2118 C-13-H3C-13-N 390548.6780 0.0118 -4.8531 3 1566.9972270 43513 2022217 2117 C-13-H3C-13-N 390786.1158 0.0085 -4.4463 3 1404.5608270 43513 2022216 2116 C-13-H3C-13-N 391009.6327 0.0060 -3.7712 3 1251.7847540 43513 2022215 2115 C-13-H3C-13-N 391219.1437 0.0042 -3.7277 3 1108.7034270 43513 2022214 2114 C-13-H3C-13-N 391414.5685 0.0030 -3.4106 3 975.3488270 43513 2022213 2113 C-13-H3C-13-N 391595.8311 0.0023 -2.8186 3 851.7511540 43513 2022212 2112 C-13-H3C-13-N 391762.8609 0.0020 -2.8537 3 737.9381270 43513 2022211 2111 C-13-H3C-13-N 391915.5919 0.0018 -2.6124 3 633.9354270 43513 2022210 2110 C-13-H3C-13-N 392053.9635 0.0017 -2.0939 3 539.7665540 43513 20222 9 21 9 C-13-H3C-13-N 392177.9204 0.0015 -2.2011 3 455.4528270 43513 20222 8 21 8 C-13-H3C-13-N 392287.4129 0.0012 -2.0306 3 381.0132270 43513 20222 7 21 7 C-13-H3C-13-N 392382.3968 0.0010 -1.5821 3 316.4648540 43513 20222 6 21 6 C-13-H3C-13-N 392462.8335 0.0009 -1.7586 3 261.8221270 43513 20222 5 21 5 C-13-H3C-13-N 392528.6902 0.0009 -1.6569 3 217.0975270 43513 20222 4 21 4 C-13-H3C-13-N 392579.9401 0.0010 -1.2768 3 182.3012540 43513 20222 3 21 3 C-13-H3C-13-N 392616.5622 0.0011 -1.5215 3 157.4410270 43513 20222 2 21 2 C-13-H3C-13-N 392638.5415 0.0012 -1.4876 3 142.5226270 43513 20222 1 21 1 C-13-H3C-13-N 392645.8689 0.0012 -1.4763 3 137.5495270 43513 20222 0 21 0 C-13-H3C-13-N 406831.5992 0.0459 -7.4920 3 2535.7204282 43513 2022322 2222 C-13-H3C-13-N 407150.9633 0.0366 -6.4613 3 2325.5792564 43513 2022321 2221 C-13-H3C-13-N 407456.2867 0.0288 -6.1776 3 2124.8954282 43513 2022320 2220 C-13-H3C-13-N 407747.4607 0.0223 -5.6641 3 1933.7137282 43513 2022319 2219 C-13-H3C-13-N 408024.3801 0.0168 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169.3115294 43513 20224 1 23 1 C-13-H3C-13-N 428308.9079 0.0012 -1.4200 3 164.3388294 43513 20224 0 23 0 C-13-H3C-13-N 441815.6423 0.0620 -7.6437 3 2782.9802306 43513 2022523 2423 C-13-H3C-13-N 442177.5457 0.0502 -7.0188 3 2563.4508306 43513 2022522 2422 C-13-H3C-13-N 442524.3238 0.0402 -6.1638 3 2353.3313612 43513 2022521 2421 C-13-H3C-13-N 442855.8552 0.0316 -5.9589 3 2152.6684306 43513 2022520 2420 C-13-H3C-13-N 443172.0222 0.0244 -5.4907 3 1961.5065306 43513 2022519 2419 C-13-H3C-13-N 443472.7104 0.0185 -4.7539 3 1779.8882612 43513 2022518 2418 C-13-H3C-13-N 443757.8099 0.0137 -4.6483 3 1607.8541306 43513 2022517 2417 C-13-H3C-13-N 444027.2149 0.0098 -4.2688 3 1445.4425306 43513 2022516 2416 C-13-H3C-13-N 444280.8243 0.0069 -3.6141 3 1292.6898612 43513 2022515 2415 C-13-H3C-13-N 444518.5418 0.0047 -3.5863 3 1149.6304306 43513 2022514 2414 C-13-H3C-13-N 444740.2761 0.0033 -3.2816 3 1016.2963306 43513 2022513 2413 C-13-H3C-13-N 444945.9415 0.0024 -2.6996 3 892.7175612 43513 2022512 2412 C-13-H3C-13-N 445135.4575 0.0021 -2.7430 3 778.9219306 43513 2022511 2411 C-13-H3C-13-N 445308.7497 0.0019 -2.5083 3 674.9352306 43513 2022510 2410 C-13-H3C-13-N 445465.7491 0.0018 -1.9955 3 580.7808612 43513 20225 9 24 9 C-13-H3C-13-N 445606.3933 0.0016 -2.1073 3 496.4800306 43513 20225 8 24 8 C-13-H3C-13-N 445730.6257 0.0013 -1.9406 3 422.0520306 43513 20225 7 24 7 C-13-H3C-13-N 445838.3962 0.0011 -1.4952 3 357.5135612 43513 20225 6 24 6 C-13-H3C-13-N 445929.6611 0.0010 -1.6742 3 302.8792306 43513 20225 5 24 5 C-13-H3C-13-N 446004.3833 0.0009 -1.5745 3 258.1615306 43513 20225 4 24 4 C-13-H3C-13-N 446062.5323 0.0010 -1.1959 3 223.3705612 43513 20225 3 24 3 C-13-H3C-13-N 446104.0844 0.0011 -1.4416 3 198.5141306 43513 20225 2 24 2 C-13-H3C-13-N 446129.0225 0.0012 -1.4084 3 183.5981306 43513 20225 1 24 1 C-13-H3C-13-N 446137.3363 0.0012 -1.3973 3 178.6257306 43513 20225 0 24 0 C-13-H3C-13-N 459079.7320 0.0789 -7.8167 3 3026.5959636 43513 2022624 2524 C-13-H3C-13-N 459471.4994 0.0647 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2022610 2510 C-13-H3C-13-N 463265.5248 0.0018 -1.9711 3 595.6399636 43513 20226 9 25 9 C-13-H3C-13-N 463411.7136 0.0016 -2.0841 3 511.3438318 43513 20226 8 25 8 C-13-H3C-13-N 463540.8436 0.0014 -1.9183 3 436.9199318 43513 20226 7 25 7 C-13-H3C-13-N 463652.8627 0.0011 -1.4737 3 372.3850636 43513 20226 6 25 6 C-13-H3C-13-N 463747.7255 0.0010 -1.6534 3 317.7538318 43513 20226 5 25 5 C-13-H3C-13-N 463825.3935 0.0010 -1.5541 3 273.0386318 43513 20226 4 25 4 C-13-H3C-13-N 463885.8349 0.0010 -1.1760 3 238.2495636 43513 20226 3 25 3 C-13-H3C-13-N 463929.0250 0.0011 -1.4219 3 213.3946318 43513 20226 2 25 2 C-13-H3C-13-N 463954.9462 0.0012 -1.3889 3 198.4793318 43513 20226 1 25 1 C-13-H3C-13-N 463963.5877 0.0013 -1.3778 3 193.5072318 43513 20226 0 25 0 C-13-H3C-13-N 476718.7749 0.0822 -7.6481 3 3041.9091660 43513 2022724 2624 C-13-H3C-13-N 477125.3805 0.0674 -7.3554 3 2813.0439330 43513 2022723 2623 C-13-H3C-13-N 477515.8022 0.0547 -6.8094 3 2593.5391330 43513 2022722 2622 C-13-H3C-13-N 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C-13-H3C-13-N 1381650.6313 0.0905 -5.0437 3 2616.8857942 43513 2027813 7713 C-13-H3C-13-N 1382256.4465 0.0820 -4.4846 3 2494.0279I84 43513 2027812 7712 C-13-H3C-13-N 1382814.6642 0.0755 -4.5480 3 2380.8967942 43513 2027811 7711 C-13-H3C-13-N 1383325.0719 0.0705 -4.3309 3 2277.5174942 43513 2027810 7710 C-13-H3C-13-N 1383787.4733 0.0669 -3.8332 3 2183.9134I84 43513 20278 9 77 9 C-13-H3C-13-N 1384201.6897 0.0644 -3.9582 3 2100.1056942 43513 20278 8 77 8 C-13-H3C-13-N 1384567.5597 0.0628 -3.8028 3 2026.1130942 43513 20278 7 77 7 C-13-H3C-13-N 1384884.9401 0.0619 -3.3670 3 1961.9523I84 43513 20278 6 77 6 C-13-H3C-13-N 1385153.7060 0.0614 -3.5540 3 1907.6379942 43513 20278 5 77 5 C-13-H3C-13-N 1385373.7511 0.0612 -3.4606 3 1863.1821942 43513 20278 4 77 4 C-13-H3C-13-N 1385544.9882 0.0612 -3.0869 3 1828.5950I84 43513 20278 3 77 3 C-13-H3C-13-N 1385667.3492 0.0613 -3.3361 3 1803.8843942 43513 20278 2 77 2 C-13-H3C-13-N 1385740.7853 0.0613 -3.3049 3 1789.0556942 43513 20278 1 77 1 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C-13-H3C-13-N 1430391.0022 0.1938 -6.5796 3 3515.6713J56 43513 2028118 8018 C-13-H3C-13-N 1431259.1652 0.1702 -6.5217 3 3344.7218978 43513 2028117 8017 C-13-H3C-13-N 1432079.4697 0.1503 -6.1828 3 3183.3351978 43513 2028116 8016 C-13-H3C-13-N 1432851.6202 0.1336 -5.5630 3 3031.5472J56 43513 2028115 8015 C-13-H3C-13-N 1433575.3352 0.1198 -5.5656 3 2889.3920978 43513 2028114 8014 C-13-H3C-13-N 1434250.3477 0.1086 -5.2874 3 2756.9014978 43513 2028113 8013 C-13-H3C-13-N 1434876.4059 0.0997 -4.7285 3 2634.1049J56 43513 2028112 8012 C-13-H3C-13-N 1435453.2741 0.0928 -4.7922 3 2521.0302978 43513 2028111 8011 C-13-H3C-13-N 1435980.7328 0.0877 -4.5752 3 2417.7025978 43513 2028110 8010 C-13-H3C-13-N 1436458.5802 0.0840 -4.0778 3 2324.1453J56 43513 20281 9 80 9 C-13-H3C-13-N 1436886.6317 0.0814 -4.2030 3 2240.3794978 43513 20281 8 80 8 C-13-H3C-13-N 1437264.7212 0.0797 -4.0477 3 2166.4239978 43513 20281 7 80 7 C-13-H3C-13-N 1437592.7008 0.0788 -3.6121 3 2102.2953J56 43513 20281 6 80 6 C-13-H3C-13-N 1437870.4419 0.0783 -3.7991 3 2048.0081978 43513 20281 5 80 5 C-13-H3C-13-N 1438097.8349 0.0781 -3.7059 3 2003.5745978 43513 20281 4 80 4 C-13-H3C-13-N 1438274.7898 0.0780 -3.3323 3 1969.0047J56 43513 20281 3 80 3 C-13-H3C-13-N 1438401.2365 0.0781 -3.5814 3 1944.3064978 43513 20281 2 80 2 C-13-H3C-13-N 1438477.1247 0.0782 -3.5503 3 1929.4852978 43513 20281 1 80 1 C-13-H3C-13-N 1438502.4241 0.0782 -3.5399 3 1924.5444978 43513 20281 0 80 0 C-13-H3C-13-N 1447869.4987 0.2021 -6.6632 3 3563.3840J80 43513 2028218 8118 C-13-H3C-13-N 1448746.9300 0.1781 -6.6053 3 3392.4635990 43513 2028217 8117 C-13-H3C-13-N 1449575.9902 0.1578 -6.2666 3 3231.1041990 43513 2028216 8116 C-13-H3C-13-N 1450356.3810 0.1408 -5.6469 3 3079.3420J80 43513 2028215 8115 C-13-H3C-13-N 1451087.8182 0.1267 -5.6496 3 2937.2110990 43513 2028214 8114 C-13-H3C-13-N 1451770.0321 0.1153 -5.3715 3 2804.7428990 43513 2028213 8113 C-13-H3C-13-N 1452402.7685 0.1063 -4.8127 3 2681.9672J80 43513 2028212 8112 C-13-H3C-13-N 1452985.7894 0.0993 -4.8764 3 2568.9117990 43513 2028211 8111 C-13-H3C-13-N 1453518.8733 0.0941 -4.6596 3 2465.6017990 43513 2028210 8110 C-13-H3C-13-N 1454001.8162 0.0904 -4.1622 3 2372.0604J80 43513 20282 9 81 9 C-13-H3C-13-N 1454434.4318 0.0878 -4.2874 3 2288.3088990 43513 20282 8 81 8 C-13-H3C-13-N 1454816.5524 0.0861 -4.1322 3 2214.3659990 43513 20282 7 81 7 C-13-H3C-13-N 1455148.0286 0.0851 -3.6966 3 2150.2482J80 43513 20282 6 81 6 C-13-H3C-13-N 1455428.7305 0.0846 -3.8837 3 2095.9703990 43513 20282 5 81 5 C-13-H3C-13-N 1455658.5475 0.0844 -3.7905 3 2051.5443990 43513 20282 4 81 4 C-13-H3C-13-N 1455837.3887 0.0844 -3.4169 3 2016.9804J80 43513 20282 3 81 3 C-13-H3C-13-N 1455965.1832 0.0844 -3.6661 3 1992.2863990 43513 20282 2 81 2 C-13-H3C-13-N 1456041.8802 0.0845 -3.6350 3 1977.4676990 43513 20282 1 81 1 C-13-H3C-13-N 1456067.4493 0.0845 -3.6246 3 1972.5277990 43513 20282 0 81 0 C-13-H3C-13-N 1465341.2903 0.2108 -6.7481 3 3611.6798K04 43513 2028318 8218 C-13-H3C-13-N 1466227.9415 0.1863 -6.6904 3 3440.7885A02 43513 2028317 8217 C-13-H3C-13-N 1467065.7115 0.1656 -6.3518 3 3279.4568A02 43513 2028316 8216 C-13-H3C-13-N 1467854.2993 0.1483 -5.7322 3 3127.7207K04 43513 2028315 8215 C-13-H3C-13-N 1468593.4181 0.1340 -5.7350 3 2985.6140A02 43513 2028314 8214 C-13-H3C-13-N 1469282.7955 0.1224 -5.4570 3 2853.1687A02 43513 2028313 8213 C-13-H3C-13-N 1469922.1750 0.1133 -4.8983 3 2730.4142K04 43513 2028312 8212 C-13-H3C-13-N 1470511.3162 0.1062 -4.9621 3 2617.3781A02 43513 2028311 8211 C-13-H3C-13-N 1471049.9956 0.1009 -4.7453 3 2514.0859A02 43513 2028310 8210 C-13-H3C-13-N 1471538.0072 0.0971 -4.2480 3 2420.5607K04 43513 20283 9 82 9 C-13-H3C-13-N 1471975.1629 0.0945 -4.3733 3 2336.8235A02 43513 20283 8 82 8 C-13-H3C-13-N 1472361.2932 0.0928 -4.2181 3 2262.8933A02 43513 20283 7 82 7 C-13-H3C-13-N 1472696.2476 0.0918 -3.7826 3 2198.7867K04 43513 20283 6 82 6 C-13-H3C-13-N 1472979.8947 0.0913 -3.9697 3 2144.5181A02 43513 20283 5 82 5 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C-13-H3C-13-N 1488574.0129 0.1081 -4.8324 3 2563.1548A14 43513 2028410 8310 C-13-H3C-13-N 1489067.0660 0.1043 -4.3352 3 2469.6459K28 43513 20284 9 83 9 C-13-H3C-13-N 1489508.7376 0.1016 -4.4605 3 2385.9233A14 43513 20284 8 83 8 C-13-H3C-13-N 1489898.8563 0.0999 -4.3054 3 2312.0060A14 43513 20284 7 83 7 C-13-H3C-13-N 1490237.2703 0.0989 -3.8699 3 2247.9106K28 43513 20284 6 83 6 C-13-H3C-13-N 1490523.8468 0.0984 -4.0571 3 2193.6515A14 43513 20284 5 83 5 C-13-H3C-13-N 1490758.4732 0.0981 -3.9639 3 2149.2409A14 43513 20284 4 83 4 C-13-H3C-13-N 1490941.0569 0.0981 -3.5904 3 2114.6890K28 43513 20284 3 83 3 C-13-H3C-13-N 1491071.5257 0.0982 -3.8396 3 2090.0035A14 43513 20284 2 83 2 C-13-H3C-13-N 1491149.8276 0.0982 -3.8085 3 2075.1899A14 43513 20284 1 83 1 C-13-H3C-13-N 1491175.9318 0.0983 -3.7981 3 2070.2517A14 43513 20284 0 83 0 C-13-H3C-13-N 1500264.4193 0.2293 -6.9223 3 3710.0194K52 43513 2028518 8418 C-13-H3C-13-N 1501169.3632 0.2039 -6.8649 3 3539.1875A26 43513 2028517 8417 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