{PCM WBr4CHtBu                                                 
NA  20
FL EINT4 UV1 
AT 1,13:-2.16961,2.73815,0.62542 B  2,1 
AT 2,W :-2.27512,0.07847,0.17027 B  1,1  3,1  4,1  5,1  6,1 M1 R 1.390 C 0.600 
AT 3,30:-0.50923,-0.13364,0.90325 B  2,1  7,1  11,1 C 0.933 
AT 4,13:-4.09673,-0.17701,2.13590 B  2,1 
AT 5,13:-3.66661,0.54205,-2.08735 B  2,1 
AT 6,13:-2.43047,-2.57504,-0.30566 B  2,1 
AT 7,1:0.69637,-0.04495,0.04306 B  3,1  8,1  9,1  10,1 C 0.029 
AT 8,1:1.47037,-1.37560,0.12472 B  7,1  12,1  13,1  14,1 
AT 9,1:1.58955,1.10647,0.54601 B  7,1  15,1  16,1  17,1 
AT 10,1:0.28048,0.22315,-1.41627 B  7,1  18,1  19,1  20,1 
AT 11,5:-0.40619,-0.32231,1.98300 B  3,1 C 0.038 
AT 12,5:2.38937,-1.34763,-0.50424 B  8,1 
AT 13,5:0.85154,-2.23113,-0.22999 B  8,1 
AT 14,5:1.78901,-1.60261,1.16804 B  8,1 
AT 15,5:2.51416,1.19840,-0.06844 B  9,1 
AT 16,5:1.90733,0.94930,1.60237 B  9,1 
AT 17,5:1.06044,2.08546,0.49777 B  9,1 
AT 18,5:-0.28392,1.17808,-1.51391 B  10,1 
AT 19,5:-0.36456,-0.59164,-1.81618 B  10,1 
AT 20,5:1.17012,0.29626,-2.08243 B  10,1 
}
{PCM WBr3(OCH2CME3)CHtBu                                       
NA  38
FL EINT4 UV1 
AT 1,13:0.46564,2.67129,-0.15957 B  2,1 
AT 2,W :0.26218,0.03767,-0.74151 B  1,1  3,1  4,1  5,1  6,1 M1 R 1.390 C 0.600 
AT 3,30:1.91779,-0.24231,0.25132 B  2,1  7,1  16,1 C 0.933 
AT 4,6:-0.65281,-0.21705,1.01403 B  2,1  11,1  17,1  18,1 C 0.153 
AT 5,13:-0.11191,0.59059,-3.36440 B  2,1 
AT 6,13:0.20069,-2.54884,-1.51306 B  2,1 
AT 7,1:3.26820,-0.16679,-0.36270 B  3,1  8,1  9,1  10,1 C 0.029 
AT 8,1:3.96400,-1.53439,-0.20605 B  7,1  19,1  20,1  21,1 
AT 9,1:4.08789,0.91236,0.37364 B  7,1  22,1  23,1  24,1 
AT 10,1:3.18355,0.19106,-1.85654 B  7,1  25,1  26,1  27,1 
AT 11,1:-1.94137,-0.82281,1.04780 B  4,1  12,1  28,1  29,1 C 0.127 
AT 12,1:-3.07540,0.07634,0.49742 B  11,1  13,1  14,1  15,1 
AT 13,1:-3.18707,1.37311,1.32674 B  12,1  30,1  31,1  32,1 
AT 14,1:-4.40484,-0.70185,0.60947 B  12,1  33,1  34,1  35,1 
AT 15,1:-2.85176,0.43074,-0.98172 B  12,1  36,1  37,1  38,1 
AT 16,5:1.84918,-0.46795,1.32692 B  3,1 C 0.038 
AT 17,20:-0.62717,0.28515,1.34646 B  4,1 C -0.140 
AT 18,20:-0.29297,-0.57996,1.34401 B  4,1 C -0.140 
AT 19,5:4.99029,-1.51932,-0.63902 B  8,1 
AT 20,5:4.06174,-1.82817,0.86436 B  8,1 
AT 21,5:3.39958,-2.34298,-0.72374 B  8,1 
AT 22,5:5.11747,0.99361,-0.04388 B  9,1 
AT 23,5:3.61381,1.91648,0.28578 B  9,1 
AT 24,5:4.18916,0.68467,1.45969 B  9,1 
AT 25,5:4.19623,0.25524,-2.31582 B  10,1 
AT 26,5:2.61556,-0.57797,-2.42645 B  10,1 
AT 27,5:2.69488,1.17894,-2.01046 B  10,1 
AT 28,5:-1.88455,-1.79593,0.51053 B  11,1 
AT 29,5:-2.17383,-1.00372,2.12463 B  11,1 
AT 30,5:-4.01068,2.02357,0.95347 B  13,1 
AT 31,5:-2.24912,1.97048,1.28495 B  13,1 
AT 32,5:-3.39358,1.15647,2.39958 B  13,1 
AT 33,5:-5.26632,-0.09949,0.24069 B  14,1 
AT 34,5:-4.62856,-0.98297,1.66393 B  14,1 
AT 35,5:-4.37712,-1.64167,0.01186 B  14,1 
AT 36,5:-3.72969,0.96098,-1.41584 B  15,1 
AT 37,5:-2.66847,-0.48042,-1.59526 B  15,1 
AT 38,5:-1.98514,1.11405,-1.09285 B  15,1 
}
{PCM WBr2(OCH2CME3)2CHtBu                                      
NA  56
FL EINT4 UV1 
AT 1,13:0.80225,-2.60390,0.27828 B  2,1 
AT 2,W :0.72142,0.06553,-0.15557 B  1,1  3,1  4,1  5,1  6,1 M1 R 1.390 C 0.600 
AT 3,30:2.39941,0.07379,-1.11519 B  2,1  7,1  21,1 C 0.933 
AT 4,6:-0.20089,-0.51586,-1.80426 B  2,1  11,1  22,1  23,1 C 0.153 
AT 5,6:-0.68981,0.10916,1.22019 B  2,1  16,1  24,1  25,1 C 0.153 
AT 6,13:0.60118,2.76158,-0.20886 B  2,1 
AT 7,1:3.69071,0.17806,-0.39166 B  3,1  8,1  9,1  10,1 C 0.029 
AT 8,1:4.44092,1.43290,-0.88046 B  7,1  26,1  27,1  28,1 
AT 9,1:4.53229,-1.07922,-0.68670 B  7,1  29,1  30,1  31,1 
AT 10,1:3.43717,0.28603,1.12504 B  7,1  32,1  33,1  34,1 
AT 11,1:-1.42274,0.20655,-1.94238 B  4,1  12,1  35,1  36,1 C 0.127 
AT 12,1:-2.30999,-0.43262,-3.03740 B  11,1  13,1  14,1  15,1 
AT 13,1:-1.59308,-0.40367,-4.40393 B  12,1  37,1  38,1  39,1 
AT 14,1:-3.62329,0.37052,-3.14268 B  12,1  40,1  41,1  42,1 
AT 15,1:-2.63688,-1.89254,-2.65898 B  12,1  43,1  44,1  45,1 
AT 16,1:-0.18341,0.24573,2.53774 B  5,1  17,1  46,1  47,1 C 0.127 
AT 17,1:-1.34278,0.26312,3.56180 B  16,1  18,1  19,1  20,1 
AT 18,1:-2.28509,1.45347,3.28423 B  17,1  48,1  49,1  50,1 
AT 19,1:-0.74589,0.41327,4.97675 B  17,1  51,1  52,1  53,1 
AT 20,1:-2.14158,-1.05554,3.49013 B  17,1  54,1  55,1  56,1 
AT 21,5:2.39148,0.01001,-2.21444 B  3,1 C 0.038 
AT 22,20:0.27624,-0.69764,-2.14110 B  4,1 C -0.140 
AT 23,20:-0.11131,-0.29939,-2.35026 B  4,1 C -0.140 
AT 24,20:-1.09444,0.53878,1.09666 B  5,1 C -0.140 
AT 25,20:-1.04576,-0.37529,1.17273 B  5,1 C -0.140 
AT 26,5:5.42044,1.54538,-0.36200 B  8,1 
AT 27,5:3.85475,2.36033,-0.68796 B  8,1 
AT 28,5:4.64796,1.38869,-1.97442 B  8,1 
AT 29,5:5.51474,-1.03968,-0.16312 B  9,1 
AT 30,5:4.74073,-1.18839,-1.77584 B  9,1 
AT 31,5:4.01343,-2.00598,-0.35090 B  9,1 
AT 32,5:4.39411,0.36721,1.68911 B  10,1 
AT 33,5:2.89878,-0.60534,1.51831 B  10,1 
AT 34,5:2.82875,1.18289,1.37937 B  10,1 
AT 35,5:-1.19778,1.27360,-2.18427 B  11,1 
AT 36,5:-1.94755,0.14818,-0.96246 B  11,1 
AT 37,5:-2.24246,-0.81314,-5.21100 B  13,1 
AT 38,5:-1.31410,0.63540,-4.69242 B  13,1 
AT 39,5:-0.65966,-1.01099,-4.39648 B  13,1 
AT 40,5:-4.30430,-0.05891,-3.91254 B  14,1 
AT 41,5:-4.17615,0.37617,-2.17557 B  14,1 
AT 42,5:-3.42992,1.43128,-3.42257 B  14,1 
AT 43,5:-3.29770,-2.37032,-3.41776 B  15,1 
AT 44,5:-1.71539,-2.51363,-2.58421 B  15,1 
AT 45,5:-3.15868,-1.95177,-1.67658 B  15,1 
AT 46,5:0.49382,-0.61839,2.72761 B  16,1 
AT 47,5:0.39534,1.19712,2.57709 B  16,1 
AT 48,5:-3.09958,1.51058,4.04187 B  18,1 
AT 49,5:-2.77213,1.37307,2.28599 B  18,1 
AT 50,5:-1.73440,2.42139,3.31030 B  18,1 
AT 51,5:-1.54139,0.43132,5.75630 B  19,1 
AT 52,5:-0.16265,1.35738,5.07403 B  19,1 
AT 53,5:-0.05980,-0.42985,5.22048 B  19,1 
AT 54,5:-2.95170,-1.08043,4.25417 B  20,1 
AT 55,5:-1.48529,-1.93769,3.66875 B  20,1 
AT 56,5:-2.62485,-1.19449,2.49651 B  20,1 
}
{PCM WBr(OCH2tBu)3CHtBu                                        
NA  74
FL EINT4 UV1 
AT 1,13:6.43576,1.88261,6.12912 B  2,1 
AT 2,W :6.26396,4.54923,5.73611 B  1,1  3,1  4,1  5,1  6,1 M1 R 1.390 C 0.600 
AT 3,30:8.00964,4.54199,4.89252 B  2,1  7,1  26,1 C 0.933 
AT 4,6:5.45101,4.15815,3.97571 B  2,1  11,1  27,1  28,1 C 0.153 
AT 5,6:4.73714,4.55989,6.97095 B  2,1  16,1  29,1  30,1 C 0.153 
AT 6,6:6.28009,6.44767,5.14465 B  2,1  21,1  31,1  32,1 C 0.153 
AT 7,1:9.21491,4.86772,5.69220 B  3,1  8,1  9,1  10,1 C 0.029 
AT 8,1:9.90413,6.10614,5.08768 B  7,1  33,1  34,1  35,1 
AT 9,1:10.17732,3.66435,5.66327 B  7,1  36,1  37,1  38,1 
AT 10,1:8.79653,5.16431,7.14584 B  7,1  39,1  40,1  41,1 
AT 11,1:4.02651,4.16465,4.01049 B  4,1  12,1  42,1  43,1 C 0.127 
AT 12,1:3.44566,3.87311,2.60758 B  11,1  13,1  14,1  15,1 
AT 13,1:3.90398,4.95540,1.60696 B  12,1  44,1  45,1  46,1 
AT 14,1:1.90566,3.89348,2.70035 B  12,1  47,1  48,1  49,1 
AT 15,1:3.90327,2.48411,2.11535 B  12,1  50,1  51,1  52,1 
AT 16,1:5.10861,4.63856,8.34508 B  5,1  17,1  53,1  54,1 C 0.127 
AT 17,1:3.84546,4.70873,9.23489 B  16,1  18,1  19,1  20,1 
AT 18,1:3.01411,5.96141,8.88345 B  17,1  55,1  56,1  57,1 
AT 19,1:4.28825,4.79594,10.71034 B  17,1  58,1  59,1  60,1 
AT 20,1:2.98294,3.44382,9.04153 B  17,1  61,1  62,1  63,1 
AT 21,1:5.45858,7.31810,5.91945 B  6,1  22,1  64,1  65,1 C 0.127 
AT 22,1:5.50423,8.75959,5.36275 B  21,1  23,1  24,1  25,1 
AT 23,1:4.61500,9.65299,6.25282 B  22,1  66,1  67,1  68,1 
AT 24,1:6.94792,9.30266,5.38537 B  22,1  69,1  70,1  71,1 
AT 25,1:4.96404,8.78751,3.91680 B  22,1  72,1  73,1  74,1 
AT 26,5:8.09831,4.29989,3.82198 B  3,1 C 0.038 
AT 27,20:5.67921,3.64565,3.75176 B  4,1 C -0.140 
AT 28,20:5.67426,4.53583,3.55994 B  4,1 C -0.140 
AT 29,20:4.36347,5.01307,6.83585 B  5,1 C -0.140 
AT 30,20:4.37028,4.09335,6.87108 B  5,1 C -0.140 
AT 31,20:6.14114,6.47695,4.55894 B  6,1 C -0.140 
AT 32,20:6.85094,6.64793,5.11282 B  6,1 C -0.140 
AT 33,5:10.81722,6.38120,5.66336 B  8,1 
AT 34,5:10.21563,5.92960,4.03257 B  8,1 
AT 35,5:9.22832,6.99103,5.09387 B  8,1 
AT 36,5:11.09670,3.86851,6.25819 B  9,1 
AT 37,5:9.70137,2.75120,6.08843 B  9,1 
AT 38,5:10.50032,3.42167,4.62483 B  9,1 
AT 39,5:9.68075,5.40191,7.77999 B  10,1 
AT 40,5:8.10501,6.03541,7.20515 B  10,1 
AT 41,5:8.27976,4.29350,7.61003 B  10,1 
AT 42,5:3.70782,3.38491,4.74012 B  11,1 
AT 43,5:3.70984,5.17381,4.36087 B  11,1 
AT 44,5:3.45615,4.79190,0.60031 B  13,1 
AT 45,5:5.00992,4.95805,1.47688 B  13,1 
AT 46,5:3.60601,5.97418,1.94537 B  13,1 
AT 47,5:1.43398,3.68816,1.71232 B  14,1 
AT 48,5:1.53220,4.88356,3.04864 B  14,1 
AT 49,5:1.53098,3.12501,3.41452 B  14,1 
AT 50,5:3.45710,2.23828,1.12481 B  15,1 
AT 51,5:3.60188,1.68203,2.82712 B  15,1 
AT 52,5:5.00943,2.42955,1.99920 B  15,1 
AT 53,5:5.72027,5.56028,8.47410 B  16,1 
AT 54,5:5.72468,3.74105,8.58191 B  16,1 
AT 55,5:2.12778,6.05936,9.55083 B  18,1 
AT 56,5:3.61691,6.89249,8.98761 B  18,1 
AT 57,5:2.63290,5.92783,7.83765 B  18,1 
AT 58,5:3.41301,4.84777,11.39746 B  19,1 
AT 59,5:4.89253,3.90826,11.00669 B  19,1 
AT 60,5:4.91094,5.70093,10.89534 B  19,1 
AT 61,5:2.09259,3.45463,9.71072 B  20,1 
AT 62,5:2.60631,3.35391,7.99737 B  20,1 
AT 63,5:3.56227,2.51988,9.26844 B  20,1 
AT 64,5:4.41595,6.93063,5.86428 B  21,1 
AT 65,5:5.83043,7.28168,6.96831 B  21,1 
AT 66,5:4.60205,10.70652,5.89129 B  23,1 
AT 67,5:4.97777,9.66612,7.30605 B  23,1 
AT 68,5:3.56083,9.29295,6.26746 B  23,1 
AT 69,5:6.98577,10.36662,5.05802 B  24,1 
AT 70,5:7.61366,8.72906,4.70221 B  24,1 
AT 71,5:7.38686,9.24883,6.40773 B  24,1 
AT 72,5:4.95050,9.82424,3.50985 B  25,1 
AT 73,5:3.92339,8.39351,3.86351 B  25,1 
AT 74,5:5.58747,8.17248,3.22880 B  25,1 
}
{PCM W(OCH2tBu)4CHtBu                                          
NA  92
FL EINT4 UV1 
AT 1,6:5.75390,4.20059,4.66446 B  2,1  26,1  31,1  32,1 C 0.153 
AT 2,W :6.60957,5.97264,5.00045 B  1,1  3,1  4,1  5,1  6,1 M1 R 1.390 C 0.600 
AT 3,30:7.73688,5.30742,3.55298 B  2,1  7,1  33,1 C 0.933 
AT 4,6:5.29441,6.61639,3.66071 B  2,1  11,1  34,1  35,1 C 0.153 
AT 5,6:5.79534,6.47957,6.71140 B  2,1  16,1  36,1  37,1 C 0.153 
AT 6,6:7.57549,7.65323,4.53025 B  2,1  21,1  38,1  39,1 C 0.153 
AT 7,1:8.99742,4.60187,3.88722 B  3,1  8,1  9,1  10,1 C 0.029 
AT 8,1:10.18531,5.39650,3.31569 B  7,1  40,1  41,1  42,1 
AT 9,1:8.96228,3.18908,3.27755 B  7,1  43,1  44,1  45,1 
AT 10,1:9.12668,4.50674,5.41900 B  7,1  46,1  47,1  48,1 
AT 11,1:4.24726,7.39438,4.22988 B  4,1  12,1  49,1  50,1 C 0.127 
AT 12,1:3.27825,7.87877,3.13055 B  11,1  13,1  14,1  15,1 
AT 13,1:4.02596,8.76573,2.11485 B  12,1  51,1  52,1  53,1 
AT 14,1:2.15958,8.70779,3.79461 B  12,1  54,1  55,1  56,1 
AT 15,1:2.64842,6.67237,2.40582 B  12,1  57,1  58,1  59,1 
AT 16,1:6.54292,6.10103,7.86402 B  5,1  17,1  60,1  61,1 C 0.127 
AT 17,1:5.80022,6.55269,9.14045 B  16,1  18,1  19,1  20,1 
AT 18,1:5.63718,8.08616,9.14813 B  17,1  62,1  63,1  64,1 
AT 19,1:6.63227,6.12870,10.36833 B  17,1  65,1  66,1  67,1 
AT 20,1:4.41378,5.88172,9.21660 B  17,1  68,1  69,1  70,1 
AT 21,1:7.74106,8.58021,5.59786 B  6,1  22,1  71,1  72,1 C 0.127 
AT 22,1:8.46379,9.85273,5.10650 B  21,1  23,1  24,1  25,1 
AT 23,1:8.62430,10.81278,6.30347 B  22,1  73,1  74,1  75,1 
AT 24,1:9.85758,9.50230,4.55020 B  22,1  76,1  77,1  78,1 
AT 25,1:7.62963,10.54742,4.01077 B  22,1  79,1  80,1  81,1 
AT 26,1:4.82554,3.78535,5.66048 B  1,1  27,1  82,1  83,1 C 0.127 
AT 27,1:4.17458,2.44093,5.27135 B  26,1  28,1  29,1  30,1 
AT 28,1:3.19810,2.03094,6.39329 B  27,1  84,1  85,1  86,1 
AT 29,1:5.24848,1.34681,5.11431 B  27,1  87,1  88,1  89,1 
AT 30,1:3.39194,2.59158,3.95110 B  27,1  90,1  91,1  92,1 
AT 31,20:5.49698,4.20880,4.11815 B  1,1 C -0.140 
AT 32,20:6.17807,3.78275,4.55657 B  1,1 C -0.140 
AT 33,5:7.43587,5.46296,2.50510 B  3,1 C 0.038 
AT 34,20:5.58330,6.91152,3.21917 B  4,1 C -0.140 
AT 35,20:5.08852,6.15401,3.33241 B  4,1 C -0.140 
AT 36,20:5.23479,6.26251,6.75226 B  5,1 C -0.140 
AT 37,20:5.67970,7.07037,6.72579 B  5,1 C -0.140 
AT 38,20:8.10631,7.51896,4.27052 B  6,1 C -0.140 
AT 39,20:7.30464,7.91390,4.05951 B  6,1 C -0.140 
AT 40,5:11.15252,4.89329,3.54392 B  8,1 
AT 41,5:10.23164,6.42164,3.74871 B  8,1 
AT 42,5:10.11382,5.50011,2.20861 B  8,1 
AT 43,5:9.89265,2.62503,3.51649 B  9,1 
AT 44,5:8.86758,3.22479,2.16793 B  9,1 
AT 45,5:8.10286,2.59953,3.67056 B  9,1 
AT 46,5:10.06582,3.98440,5.71166 B  10,1 
AT 47,5:8.27764,3.94153,5.86744 B  10,1 
AT 48,5:9.14598,5.51649,5.88964 B  10,1 
AT 49,5:4.72126,8.26255,4.74272 B  11,1 
AT 50,5:3.71592,6.75245,4.96872 B  11,1 
AT 51,5:3.33190,9.16392,1.34003 B  13,1 
AT 52,5:4.50751,9.63656,2.61581 B  13,1 
AT 53,5:4.82491,8.20129,1.58276 B  13,1 
AT 54,5:1.43130,9.08540,3.04102 B  14,1 
AT 55,5:1.59094,8.10033,4.53534 B  14,1 
AT 56,5:2.57478,9.59106,4.33176 B  14,1 
AT 57,5:1.90824,7.00282,1.64191 B  15,1 
AT 58,5:3.41489,6.06037,1.87847 B  15,1 
AT 59,5:2.11906,6.00232,3.12126 B  15,1 
AT 60,5:6.66514,4.99476,7.84646 B  16,1 
AT 61,5:7.54239,6.58552,7.79976 B  16,1 
AT 62,5:5.15239,8.43500,10.08828 B  18,1 
AT 63,5:5.00523,8.44003,8.30219 B  18,1 
AT 64,5:6.62328,8.59813,9.06623 B  18,1 
AT 65,5:6.13791,6.43232,11.31927 B  19,1 
AT 66,5:7.64373,6.59530,10.35255 B  19,1 
AT 67,5:6.77180,5.02395,10.40087 B  19,1 
AT 68,5:3.88503,6.15537,10.15794 B  20,1 
AT 69,5:4.49979,4.77137,9.18797 B  20,1 
AT 70,5:3.75772,6.18817,8.37048 B  20,1 
AT 71,5:8.33080,8.06944,6.39151 B  21,1 
AT 72,5:6.72594,8.84445,5.97251 B  21,1 
AT 73,5:9.13693,11.75515,6.00351 B  23,1 
AT 74,5:7.63581,11.09150,6.73516 B  23,1 
AT 75,5:9.22644,10.34743,7.11708 B  23,1 
AT 76,5:10.41725,10.41969,4.25731 B  24,1 
AT 77,5:10.47026,8.95910,5.30543 B  24,1 
AT 78,5:9.78822,8.85859,3.64447 B  24,1 
AT 79,5:8.11318,11.49303,3.67520 B  25,1 
AT 80,5:7.50786,9.90185,3.11148 B  25,1 
AT 81,5:6.60956,10.80265,4.37871 B  25,1 
AT 82,5:5.37977,3.69624,6.62084 B  26,1 
AT 83,5:4.04303,4.57445,5.73410 B  26,1 
AT 84,5:2.69131,1.06687,6.15969 B  28,1 
AT 85,5:2.40519,2.79930,6.54170 B  28,1 
AT 86,5:3.72818,1.90496,7.36503 B  28,1 
AT 87,5:4.78682,0.35652,4.89787 B  29,1 
AT 88,5:5.85727,1.24124,6.04115 B  29,1 
AT 89,5:5.94655,1.57272,4.27711 B  29,1 
AT 90,5:2.87950,1.64172,3.67578 B  30,1 
AT 91,5:4.06006,2.86453,3.10298 B  30,1 
AT 92,5:2.61258,3.38363,4.03038 B  30,1 
}
{PCM Chisholm complexes                                        
NA 116
SS MIN 1WBr(OCH2tBu)3CHtBu 
FL EINT4 UV1 
AT 1,6:8.51191,4.63208,6.54707 B  2,1  15,1  39,1  40,1 C 0.153 
AT 2,W :8.07590,6.53766,6.85021 B  1,1  3,1  4,1  21,3 M1 R 1.390 C 0.600 
AT 3,6:9.96582,6.96914,6.42598 B  2,1  5,1  41,1  42,1 C 0.153 
AT 4,6:8.66218,7.48458,8.51752 B  2,1  10,1  43,1  44,1 C 0.153 
AT 5,1:10.16310,7.74322,5.24655 B  3,1  6,1  45,1  46,1 C 0.127 
AT 6,1:11.67579,7.97141,5.02213 B  5,1  7,1  8,1  9,1 
AT 7,1:12.28980,8.74021,6.20957 B  6,1  47,1  48,1  49,1 
AT 8,1:11.85586,8.80805,3.73802 B  6,1  50,1  51,1  52,1 
AT 9,1:12.40409,6.62391,4.84591 B  6,1  53,1  54,1  55,1 
AT 10,1:8.85981,8.89165,8.37728 B  4,1  11,1  56,1  57,1 C 0.127 
AT 11,1:9.13189,9.55450,9.74367 B  10,1  12,1  13,1  14,1 
AT 12,1:9.33485,11.06747,9.52175 B  11,1  58,1  59,1  60,1 
AT 13,1:7.93150,9.33857,10.68833 B  11,1  61,1  62,1  63,1 
AT 14,1:10.40507,8.95998,10.37675 B  11,1  64,1  65,1  66,1 
AT 15,1:8.80683,4.27743,5.19517 B  1,1  16,1  67,1  68,1 C 0.127 
AT 16,1:7.56144,4.30923,4.27958 B  15,1  17,1  18,1  19,1 
AT 17,1:6.54937,3.22650,4.70926 B  16,1  69,1  70,1  71,1 
AT 18,1:8.02388,4.00424,2.83795 B  16,1  72,1  73,1  74,1 
AT 19,1:6.85950,5.67978,4.29239 B  16,1  75,1  76,1  77,1 
AT 20,6:6.01085,4.83970,7.86131 B  21,1  34,1  78,1  79,1 S, 1 C 0.153 
AT 21,W :6.27043,6.76848,8.21039 B  20,1  22,1  23,1  2,3 S, 1 M1 R 1.390 C 0.127 
AT 22,6:4.29982,6.80623,8.39077 B  21,1  24,1  80,1  81,1 S, 1 C 0.153 
AT 23,6:6.05137,8.11133,6.76638 B  21,1  29,1  82,1  83,1 S, 1 C 0.153 
AT 24,1:3.91402,7.32357,9.66101 B  22,1  25,1  84,1  85,1 S, 1 C 0.127 
AT 25,1:2.37712,7.34419,9.80667 B  24,1  26,1  27,1  28,1 S, 1 
AT 26,1:1.74530,8.24727,8.72860 B  25,1  86,1  87,1  88,1 S, 1 
AT 27,1:2.02523,7.90562,11.19999 B  25,1  89,1  90,1  91,1 S, 1 
AT 28,1:1.80829,5.91655,9.68262 B  25,1  92,1  93,1  94,1 S, 1 
AT 29,1:5.29360,9.28010,7.07999 B  23,1  30,1  95,1  96,1 S, 1 C 0.127 
AT 30,1:5.28086,10.25363,5.88106 B  29,1  31,1  32,1  33,1 S, 1 
AT 31,1:4.45642,11.49830,6.26971 B  30,1  97,1  98,1  99,1 S, 1 
AT 32,1:6.71623,10.69191,5.52595 B  30,1  100,1  101,1  102,1 S, 1 
AT 33,1:4.63215,9.57970,4.65515 B  30,1  103,1  104,1  105,1 S, 1 
AT 34,1:5.51015,4.01906,8.92080 B  20,1  35,1  106,1  107,1 S, 1 C 0.127 
AT 35,1:6.53736,3.76709,10.04871 B  34,1  36,1  37,1  38,1 S, 1 
AT 36,1:7.75641,2.98345,9.52266 B  35,1  108,1  109,1  110,1 S, 1 
AT 37,1:5.84484,2.92026,11.13977 B  35,1  111,1  112,1  113,1 S, 1 
AT 38,1:7.03161,5.07563,10.69007 B  35,1  114,1  115,1  116,1 S, 1 
AT 39,20:9.00751,4.49044,6.86933 B  1,1 C -0.140 
AT 40,20:8.11277,4.25259,6.78587 B  1,1 C -0.140 
AT 41,20:10.29620,6.46535,6.38330 B  3,1 C -0.140 
AT 42,20:10.24111,7.23901,6.88839 B  3,1 C -0.140 
AT 43,20:8.23885,7.41525,8.94575 B  4,1 C -0.140 
AT 44,20:9.13003,7.21583,8.78388 B  4,1 C -0.140 
AT 45,5:9.62221,8.70843,5.37790 B  5,1 
AT 46,5:9.72586,7.18184,4.39089 B  5,1 
AT 47,5:13.37058,8.94845,6.03895 B  7,1 
AT 48,5:11.78049,9.71859,6.36502 B  7,1 
AT 49,5:12.21383,8.16519,7.16019 B  7,1 
AT 50,5:12.93199,9.00428,3.52750 B  8,1 
AT 51,5:11.43079,8.28523,2.85088 B  8,1 
AT 52,5:11.34532,9.79454,3.82318 B  8,1 
AT 53,5:13.48650,6.77561,4.63132 B  9,1 
AT 54,5:12.33705,5.99371,5.76149 B  9,1 
AT 55,5:11.97273,6.03839,4.00211 B  9,1 
AT 56,5:9.70226,9.07656,7.67759 B  10,1 
AT 57,5:7.92671,9.31573,7.95312 B  10,1 
AT 58,5:9.53155,11.59621,10.48220 B  12,1 
AT 59,5:8.43421,11.53352,9.06014 B  12,1 
AT 60,5:10.19851,11.26557,8.84642 B  12,1 
AT 61,5:8.09275,9.84640,11.66636 B  13,1 
AT 62,5:7.76006,8.25919,10.90224 B  13,1 
AT 63,5:6.99124,9.74413,10.24983 B  13,1 
AT 64,5:10.64747,9.46140,11.34135 B  14,1 
AT 65,5:11.28415,9.07942,9.70293 B  14,1 
AT 66,5:10.28958,7.87296,10.58943 B  14,1 
AT 67,5:9.16288,3.21968,5.21532 B  15,1 
AT 68,5:9.62443,4.93698,4.82960 B  15,1 
AT 69,5:5.65164,3.22726,4.04984 B  17,1 
AT 70,5:6.99610,2.20733,4.66114 B  17,1 
AT 71,5:6.19493,3.38066,5.75164 B  17,1 
AT 72,5:7.16512,3.98070,2.12878 B  18,1 
AT 73,5:8.73723,4.77828,2.47271 B  18,1 
AT 74,5:8.53595,3.01702,2.77301 B  18,1 
AT 75,5:6.05051,5.72930,3.52858 B  19,1 
AT 76,5:6.37497,5.87567,5.27363 B  19,1 
AT 77,5:7.56784,6.51067,4.07990 B  19,1 
AT 78,20:5.60432,4.78673,7.41288 B  20,1 S, 1 C -0.140 
AT 79,20:6.49181,4.58812,7.60488 B  20,1 S, 1 C -0.140 
AT 80,20:4.05798,6.26517,8.28569 B  22,1 S, 1 C -0.140 
AT 81,20:4.04472,7.10686,7.93666 B  22,1 S, 1 C -0.140 
AT 82,20:6.60335,8.28794,6.58152 B  23,1 S, 1 C -0.140 
AT 83,20:5.85448,7.85290,6.25933 B  23,1 S, 1 C -0.140 
AT 84,5:4.33540,8.35195,9.74448 B  24,1 S, 1 
AT 85,5:4.36157,6.66611,10.43839 B  24,1 S, 1 
AT 86,5:0.63970,8.30680,8.84984 B  26,1 S, 1 
AT 87,5:2.14491,9.28555,8.78528 B  26,1 S, 1 
AT 88,5:1.94308,7.86419,7.70184 B  26,1 S, 1 
AT 89,5:0.92305,7.94382,11.35693 B  27,1 S, 1 
AT 90,5:2.45727,7.27624,12.01133 B  27,1 S, 1 
AT 91,5:2.41834,8.93972,11.33088 B  27,1 S, 1 
AT 92,5:0.70455,5.90792,9.83203 B  28,1 S, 1 
AT 93,5:2.00815,5.47906,8.67827 B  28,1 S, 1 
AT 94,5:2.25561,5.23520,10.44201 B  28,1 S, 1 
AT 95,5:4.25150,8.97833,7.31745 B  29,1 S, 1 
AT 96,5:5.75813,9.75949,7.97153 B  29,1 S, 1 
AT 97,5:4.41259,12.23410,5.43455 B  31,1 S, 1 
AT 98,5:4.89855,12.01703,7.15091 B  31,1 S, 1 
AT 99,5:3.40839,11.22510,6.53097 B  31,1 S, 1 
AT 100,5:6.71785,11.42390,4.68651 B  32,1 S, 1 
AT 101,5:7.34560,9.82929,5.20995 B  32,1 S, 1 
AT 102,5:7.21862,11.17660,6.39393 B  32,1 S, 1 
AT 103,5:4.56819,10.28411,3.79471 B  33,1 S, 1 
AT 104,5:3.59828,9.23390,4.88413 B  33,1 S, 1 
AT 105,5:5.21552,8.69455,4.31340 B  33,1 S, 1 
AT 106,5:5.29943,3.02096,8.46738 B  34,1 S, 1 
AT 107,5:4.56179,4.46081,9.29938 B  34,1 S, 1 
AT 108,5:8.45469,2.71738,10.34870 B  36,1 S, 1 
AT 109,5:7.45364,2.03511,9.02314 B  36,1 S, 1 
AT 110,5:8.33917,3.58331,8.79164 B  36,1 S, 1 
AT 111,5:6.53750,2.68994,11.98128 B  37,1 S, 1 
AT 112,5:4.96687,3.45550,11.56889 B  37,1 S, 1 
AT 113,5:5.48213,1.94876,10.73270 B  37,1 S, 1 
AT 114,5:7.71789,4.87634,11.54433 B  38,1 S, 1 
AT 115,5:7.60096,5.68867,9.96027 B  38,1 S, 1 
AT 116,5:6.19045,5.68874,11.07966 B  38,1 S, 1 
}