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8 6 3 1 0 8 7 5 2 1 0 7 370093.732518 0.050000 1.00000 9 6 4 1 0 9 8 5 3 1 0 8 376305.055857 0.050000 1.00000 10 6 5 1 0 10 9 5 4 1 0 9 382516.201621 0.050000 1.00000 11 6 6 1 0 11 10 5 5 1 0 10 388727.143478 0.050000 1.00000 12 6 7 1 0 12 11 5 6 1 0 11 394937.766041 0.050000 1.00000 15 6 10 1 0 15 14 5 9 1 0 14 413564.730307 0.050000 1.00000 19 6 14 1 0 19 18 5 13 1 0 18 438379.752835 0.050000 1.00000 20 6 15 1 0 20 19 5 14 1 0 19 444577.496821 0.050000 1.00000 21 6 16 1 0 21 20 5 15 1 0 20 450772.340258 0.050000 1.00000 34 6 29 1 0 34 33 5 28 1 0 33 530801.017528 0.050000 1.00000 35 6 30 1 0 35 34 5 29 1 0 34 536896.028218 0.050000 1.00000 37 6 32 1 0 37 36 5 31 1 0 36 549046.259778 0.050000 1.00000 38 6 33 1 0 38 37 5 32 1 0 37 555099.063415 0.050000 1.00000 40 6 35 1 0 40 39 5 34 1 0 39 567152.940165 0.050000 1.00000 41 6 36 1 0 41 40 5 35 1 0 40 573150.745714 0.050000 1.00000 42 6 37 1 0 42 41 5 36 1 0 41 579127.094797 0.050000 1.00000 43 6 38 1 0 43 42 5 37 1 0 42 585079.293478 0.050000 1.00000 44 6 39 1 0 44 43 5 38 1 0 43 591005.356622 0.050000 1.00000 45 6 40 1 0 45 44 5 39 1 0 44 596902.712882 0.050000 1.00000 46 6 41 1 0 46 45 5 40 1 0 45 602768.449655 0.050000 1.00000 47 6 42 1 0 47 46 5 41 1 0 46 608599.473297 0.050000 1.00000 48 6 43 1 0 48 47 5 42 1 0 47 614392.123653 0.050000 1.00000 49 6 44 1 0 49 48 5 43 1 0 48 620142.717406 0.050000 1.00000 38 6 32 1 0 38 37 5 33 1 0 37 555186.697126 0.050000 1.00000 39 6 33 1 0 39 38 5 34 1 0 38 561248.874969 0.050000 1.00000 40 6 34 1 0 40 39 5 35 1 0 39 567299.846858 0.050000 1.00000 41 6 35 1 0 41 40 5 36 1 0 40 573339.157776 0.050000 1.00000 42 6 36 1 0 42 41 5 37 1 0 41 579366.848644 0.050000 1.00000 43 6 37 1 0 43 42 5 38 1 0 42 585382.891936 0.050000 1.00000 45 6 39 1 0 45 44 5 40 1 0 44 597380.708230 0.050000 1.00000 47 6 41 1 0 47 46 5 42 1 0 46 609335.754773 0.050000 1.00000 48 6 42 1 0 48 47 5 43 1 0 47 615298.943436 0.050000 1.00000 49 6 43 1 0 49 48 5 44 1 0 48 621254.149822 0.050000 1.00000 50 6 44 1 0 50 49 5 45 1 0 49 627202.485819 0.050000 1.00000 51 6 45 1 0 51 50 5 46 1 0 50 633145.972655 0.050000 1.00000 52 6 46 1 0 52 51 5 47 1 0 51 639086.090036 0.050000 1.00000 54 6 48 1 0 54 53 5 49 1 0 53 650967.265590 0.050000 1.00000 55 6 49 1 0 55 54 5 50 1 0 54 656914.022847 0.050000 1.00000 56 6 50 1 0 56 55 5 51 1 0 55 662869.550253 0.050000 1.00000 57 6 51 1 0 57 56 5 52 1 0 56 668837.958029 0.050000 1.00000 51 6 46 1 0 51 50 5 45 1 0 50 631499.533333 0.050000 1.00000 52 6 47 1 0 52 51 5 46 1 0 51 637095.738231 0.050000 1.00000 53 6 48 1 0 53 52 5 47 1 0 52 642629.875960 0.050000 1.00000 5 5 0 1 0 5 4 4 1 1 0 4 293289.641710 0.050000 1.00000 ! 6 5 1 1 0 6 5 4 2 1 0 5 299499.062583 0.050000 1.00000 8 5 3 1 0 8 7 4 4 1 0 7 311918.003192 0.050000 1.00000 9 5 4 1 0 9 8 4 5 1 0 8 318127.117332 0.050000 1.00000 10 5 5 1 0 10 9 4 6 1 0 9 324335.539125 0.050000 1.00000 11 5 6 1 0 11 10 4 7 1 0 10 330542.987970 0.050000 1.00000 12 5 7 1 0 12 11 4 8 1 0 11 336749.110653 0.050000 1.00000 13 5 8 1 0 13 12 4 9 1 0 12 342953.537905 0.050000 1.00000 17 5 12 1 0 17 16 4 13 1 0 16 367746.010831 0.050000 1.00000 18 5 13 1 0 18 17 4 14 1 0 17 373935.373798 0.050000 1.00000 19 5 14 1 0 19 18 4 15 1 0 18 380119.984409 0.050000 1.00000 20 5 15 1 0 20 19 4 16 1 0 19 386299.727693 0.050000 1.00000 22 5 17 1 0 22 21 4 18 1 0 21 398641.834164 0.050000 1.00000 23 5 18 1 0 23 22 4 19 1 0 22 404803.285544 0.050000 1.00000 24 5 19 1 0 24 23 4 20 1 0 23 410957.792420 0.050000 1.00000 25 5 20 1 0 25 24 4 21 1 0 24 417104.950630 0.050000 1.00000 26 5 21 1 0 26 25 4 22 1 0 25 423244.386115 0.050000 1.00000 28 5 23 1 0 28 27 4 24 1 0 27 435499.551551 0.050000 1.00000 29 5 24 1 0 29 28 4 25 1 0 28 441615.180151 0.050000 1.00000 30 5 25 1 0 30 29 4 26 1 0 29 447723.132105 0.050000 1.00000 31 5 26 1 0 31 30 4 27 1 0 30 453823.656581 0.050000 1.00000 32 5 27 1 0 32 31 4 28 1 0 31 459917.429325 0.050000 1.00000 33 5 28 1 0 33 32 4 29 1 0 32 466005.231792 0.050000 1.00000 34 5 29 1 0 34 33 4 30 1 0 33 472088.197309 0.050000 1.00000 35 5 30 1 0 35 34 4 31 1 0 34 478167.660779 0.050000 1.00000 36 5 31 1 0 36 35 4 32 1 0 35 484245.382887 0.050000 1.00000 42 5 37 1 0 42 41 4 38 1 0 41 520827.679972 0.050000 1.00000 43 5 38 1 0 43 42 4 39 1 0 42 526979.215772 0.050000 1.00000 46 5 41 1 0 46 45 4 42 1 0 45 545633.616571 0.050000 1.00000 47 5 42 1 0 47 46 4 43 1 0 46 551942.483879 0.050000 1.00000 48 5 43 1 0 48 47 4 44 1 0 47 558310.391856 0.050000 1.00000 49 5 44 1 0 49 48 4 45 1 0 48 564746.733532 0.050000 1.00000 50 5 45 1 0 50 49 4 46 1 0 49 571261.880603 0.050000 1.00000 51 5 46 1 0 51 50 4 47 1 0 50 577866.855363 0.050000 1.00000 53 5 48 1 0 53 52 4 49 1 0 52 591394.624857 0.050000 1.00000 54 5 49 1 0 54 53 4 50 1 0 53 598344.216549 0.050000 1.00000 55 5 50 1 0 55 54 4 51 1 0 54 605436.064055 0.050000 1.00000 56 5 51 1 0 56 55 4 52 1 0 55 612685.973691 0.050000 1.00000 57 5 52 1 0 57 56 4 53 1 0 56 620109.409822 0.050000 1.00000 18 5 14 1 0 18 17 4 13 1 0 17 373931.173199 0.050000 1.00000 19 5 15 1 0 19 18 4 14 1 0 18 380113.504957 0.050000 1.00000 20 5 16 1 0 20 19 4 15 1 0 19 386289.674213 0.050000 1.00000 21 5 17 1 0 21 20 4 16 1 0 20 392458.760696 0.050000 1.00000 22 5 18 1 0 22 21 4 17 1 0 21 398619.571576 0.050000 1.00000 23 5 19 1 0 23 22 4 18 1 0 22 404771.293501 0.050000 1.00000 26 5 22 1 0 26 25 4 21 1 0 25 423156.539916 0.050000 1.00000 27 5 23 1 0 27 26 4 22 1 0 26 429256.154543 0.050000 1.00000 28 5 24 1 0 28 27 4 23 1 0 27 435338.460346 0.050000 1.00000 29 5 25 1 0 29 28 4 24 1 0 28 441400.613665 0.050000 1.00000 30 5 26 1 0 30 29 4 25 1 0 29 447440.272120 0.050000 1.00000 31 5 27 1 0 31 30 4 26 1 0 30 453454.377967 0.050000 1.00000 32 5 28 1 0 32 31 4 27 1 0 31 459439.654767 0.050000 1.00000 33 5 29 1 0 33 32 4 28 1 0 32 465392.653987 0.050000 1.00000 34 5 30 1 0 34 33 4 29 1 0 33 471308.805420 0.050000 1.00000 35 5 31 1 0 35 34 4 30 1 0 34 477183.716554 0.050000 1.00000 53 5 49 1 0 53 52 4 48 1 0 52 567359.902740 0.050000 1.00000 54 5 50 1 0 54 53 4 49 1 0 53 570911.637878 0.050000 1.00000 55 5 51 1 0 55 54 4 50 1 0 54 574252.735134 0.050000 1.00000 56 5 52 1 0 56 55 4 51 1 0 55 577379.249766 0.050000 1.00000 57 5 53 1 0 57 56 4 52 1 0 56 580289.223368 0.050000 1.00000 58 5 54 1 0 58 57 4 53 1 0 57 582982.394342 0.050000 1.00000 10 4 7 1 0 10 9 3 6 1 0 9 266091.121568 0.050000 1.00000 ! 11 4 8 1 0 11 10 3 7 1 0 10 272288.088462 0.050000 1.00000 12 4 9 1 0 12 11 3 8 1 0 11 278479.668927 0.050000 1.00000 13 4 10 1 0 13 12 3 9 1 0 12 284664.133808 0.050000 1.00000 14 4 11 1 0 14 13 3 10 1 0 13 290839.587280 0.050000 1.00000 16 4 13 1 0 16 15 3 12 1 0 15 303153.969275 0.050000 1.00000 17 4 14 1 0 17 16 3 13 1 0 16 309287.059007 0.050000 1.00000 18 4 15 1 0 18 17 3 14 1 0 17 315399.531675 0.050000 1.00000 19 4 16 1 0 19 18 3 15 1 0 18 321487.143876 0.050000 1.00000 20 4 17 1 0 20 19 3 16 1 0 19 327545.272008 0.050000 1.00000 21 4 18 1 0 21 20 3 17 1 0 20 333568.592504 0.050000 1.00000 22 4 19 1 0 22 21 3 18 1 0 21 339551.241113 0.050000 1.00000 23 4 20 1 0 23 22 3 19 1 0 22 345486.312083 0.050000 1.00000 24 4 21 1 0 24 23 3 20 1 0 23 351366.698432 0.050000 1.00000 25 4 22 1 0 25 24 3 21 1 0 24 357184.211380 0.050000 1.00000 26 4 23 1 0 26 25 3 22 1 0 25 362930.161260 0.050000 1.00000 27 4 24 1 0 27 26 3 23 1 0 26 368595.031715 0.050000 1.00000 29 4 26 1 0 29 28 3 25 1 0 28 379641.628459 0.050000 1.00000 30 4 27 1 0 30 29 3 26 1 0 29 385002.144143 0.050000 1.00000 31 4 28 1 0 31 30 3 27 1 0 30 390239.429510 0.050000 1.00000 32 4 29 1 0 32 31 3 28 1 0 31 395342.528521 0.050000 1.00000 33 4 30 1 0 33 32 3 29 1 0 32 400300.970684 0.050000 1.00000 34 4 31 1 0 34 33 3 30 1 0 33 405104.336384 0.050000 1.00000 36 4 33 1 0 36 35 3 32 1 0 35 414209.117466 0.050000 1.00000 37 4 34 1 0 37 36 3 33 1 0 36 418494.587279 0.050000 1.00000 39 4 36 1 0 39 38 3 35 1 0 38 426502.296298 0.050000 1.00000 32 2 30 1 0 32 31 3 29 1 0 31 88057.843861 0.050000 1.00E+00 ! #average of doublets 33 2 31 1 0 33 32 3 30 1 0 32 97439.172300 0.050000 1.00E+00 34 2 32 1 0 34 33 3 31 1 0 33 106918.098845 0.050000 1.00E+00 35 2 33 1 0 35 34 3 32 1 0 34 116484.667972 0.050000 1.00E+00 36 2 34 1 0 36 35 3 33 1 0 35 126128.298706 0.050000 1.00E+00 42 2 40 1 0 42 41 3 39 1 0 41 184968.665739 0.050000 1.00E+00 43 2 41 1 0 43 42 3 40 1 0 42 194823.931811 0.050000 1.00E+00 44 2 42 1 0 44 43 3 41 1 0 43 204658.246385 0.050000 1.00E+00 45 2 43 1 0 45 44 3 42 1 0 44 214457.819407 0.050000 1.00E+00 46 2 44 1 0 46 45 3 43 1 0 45 224209.407751 0.050000 1.00E+00 57 2 55 1 0 57 56 3 54 1 0 56 324829.338118 0.050000 1.00000 #singlets 58 2 56 1 0 58 57 3 55 1 0 57 333147.001000 0.050000 1.00000 59 2 57 1 0 59 58 3 56 1 0 58 341309.913161 0.050000 1.00000 60 2 58 1 0 60 59 3 57 1 0 59 349319.549301 0.050000 1.00000 61 2 59 1 0 61 60 3 58 1 0 60 357178.797892 0.050000 1.00000 62 2 60 1 0 62 61 3 59 1 0 61 364891.366206 0.050000 1.00000 64 2 62 1 0 64 63 3 61 1 0 63 379898.143870 0.050000 1.00000 65 2 63 1 0 65 64 3 62 1 0 64 387204.540120 0.050000 1.00000 66 2 64 1 0 66 65 3 63 1 0 65 394388.294041 0.050000 1.00000 67 2 65 1 0 67 66 3 64 1 0 66 401456.716285 0.050000 1.00000 68 2 66 1 0 68 67 3 65 1 0 67 408417.071156 0.050000 1.00000 69 2 67 1 0 69 68 3 66 1 0 68 415276.741460 0.050000 1.00000 70 2 68 1 0 70 69 3 67 1 0 69 422042.795489 0.050000 1.00000 71 2 69 1 0 71 70 3 68 1 0 70 428722.384136 0.050000 1.00000 72 2 70 1 0 72 71 3 69 1 0 71 435322.222582 0.050000 1.00000 73 2 71 1 0 73 72 3 70 1 0 72 441848.759016 0.050000 1.00000 74 2 72 1 0 74 73 3 71 1 0 73 448308.273654 0.050000 1.00000 75 2 73 1 0 75 74 3 72 1 0 74 454706.644296 0.050000 1.00000 76 2 74 1 0 76 75 3 73 1 0 75 461049.050946 0.050000 1.00000 77 2 75 1 0 77 76 3 74 1 0 76 467340.696136 0.050000 1.00000 78 2 76 1 0 78 77 3 75 1 0 77 473586.460482 0.050000 1.00000 22 3 20 1 0 22 21 2 19 1 0 21 273570.793917 0.050000 1.00E+00 ! #average of doublets 23 3 21 1 0 23 22 2 20 1 0 22 278196.477736 0.050000 1.00E+00 25 3 23 1 0 25 24 2 22 1 0 24 286953.118706 0.050000 1.00E+00 26 3 24 1 0 26 25 2 23 1 0 25 291084.533206 0.050000 1.00E+00 29 3 27 1 0 29 28 2 26 1 0 28 302523.556474 0.050000 1.00E+00 34 3 32 1 0 34 33 2 31 1 0 33 318744.853776 0.050000 1.00E+00 36 3 34 1 0 36 35 2 33 1 0 35 324417.102810 0.050000 1.00E+00 37 3 35 1 0 37 36 2 34 1 0 36 327115.010190 0.050000 1.00E+00 39 3 37 1 0 39 38 2 36 1 0 38 332285.633780 0.050000 1.00E+00 40 3 38 1 0 40 39 2 37 1 0 39 334780.208549 0.050000 1.00E+00 41 3 39 1 0 41 40 2 38 1 0 40 337229.640104 0.050000 1.00E+00 42 3 40 1 0 42 41 2 39 1 0 41 339645.890158 0.050000 1.00E+00 43 3 41 1 0 43 42 2 40 1 0 42 342041.547175 0.050000 1.00E+00 44 3 42 1 0 44 43 2 41 1 0 43 344429.235365 0.050000 1.00E+00 45 3 43 1 0 45 44 2 42 1 0 44 346822.147056 0.050000 1.00E+00 46 3 44 1 0 46 45 2 43 1 0 45 349233.616752 0.050000 1.00E+00 53 3 51 1 0 53 52 2 50 1 0 52 367736.563017 0.050000 1.00000 # central singlet 54 3 52 1 0 54 53 2 51 1 0 53 370755.062088 0.050000 1.00000 55 3 53 1 0 55 54 2 52 1 0 54 373896.706059 0.050000 1.00000 56 3 54 1 0 56 55 2 53 1 0 55 377167.667185 0.050000 1.00000 57 3 55 1 0 57 56 2 54 1 0 56 380573.268608 0.050000 1.00000 58 3 56 1 0 58 57 2 55 1 0 57 384116.810182 0.050000 1.00000 59 3 57 1 0 59 58 2 56 1 0 58 387800.105494 0.050000 1.00000 60 3 58 1 0 60 59 2 57 1 0 59 391623.401024 0.050000 1.00000 61 3 59 1 0 61 60 2 58 1 0 60 395585.733868 0.050000 1.00000 62 3 60 1 0 62 61 2 59 1 0 61 399684.516140 0.050000 1.00000 63 3 61 1 0 63 62 2 60 1 0 62 403916.134076 0.050000 1.00000 64 3 62 1 0 64 63 2 61 1 0 63 408276.399045 0.050000 1.00000 65 3 63 1 0 65 64 2 62 1 0 64 412759.647052 0.050000 1.00000 69 3 67 1 0 69 68 2 66 1 0 68 431799.226404 0.050000 1.00000 71 3 69 1 0 71 70 2 68 1 0 70 441889.061702 0.050000 1.00000 72 3 70 1 0 72 71 2 69 1 0 71 447052.711947 0.050000 1.00000 74 3 72 1 0 74 73 2 71 1 0 73 457585.974109 0.050000 1.00000 76 3 74 1 0 76 75 2 73 1 0 75 468354.835738 0.050000 1.00000 40 1 39 1 0 40 39 2 38 1 0 39 228178.956306 0.050000 1.00000 ! 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