| qm9_id,py_pg,orca_pg,homo_ev,homo_irrep,homo_irrep_idx,lumo_ev,lumo_irrep,lumo_irrep_idx,total_energy_eh,dipole_debye |
| 6233,C2,C2,-7.3367,A,17.0,2.1818,A,18.0,-314.23335414,0.03787 |
| 106459,Cs,Cs,-5.6134,App,9.0,0.8597,App,10.0,-351.06228642,0.40515 |
| 37009,Cs,C2v,-6.6439,A1,13.0,1.5755,A1,14.0,-422.82286339,2.02868 |
| 29859,Cs,Cs,-5.505,App,12.0,1.0186,Ap,22.0,-401.84172603,3.71733 |
| 33387,Cs,C2v,-8.3442,B1,7.0,-0.5207,A1,14.0,-376.99365293,4.30197 |
| 55738,Cs,Cs,-6.4958,Ap,25.0,-0.1922,App,10.0,-386.9632732,2.52946 |
| 10785,C2,C2,-6.9587,B,14.0,-2.5302,A,16.0,-382.45451107,0.08751 |
| 3540,C2v,C2v,-6.0228,B2,7.0,2.2988,A1,13.0,-308.36848842,2.23999 |
| 62575,Cs,Cs,-6.4792,Ap,24.0,2.4039,Ap,25.0,-386.94070456,1.73271 |
| 4562,C2h,C2,-6.0527,A,15.0,0.2961,A,16.0,-310.66562494,0.00748 |
| 98161,Cs,Cs,-6.4578,Ap,25.0,1.0307,App,10.0,-403.03216167,2.99021 |
| 76733,Cs,Cs,-6.2469,Ap,20.0,2.2536,Ap,21.0,-352.28656592,0.30453 |
| 4431,C2v,C2v,-6.2437,B1,4.0,0.593,A2,3.0,-419.58859065,5.30712 |
| 103758,C2,C2,-6.3587,B,17.0,2.5761,A,20.0,-425.29058697,1.58415 |
| 128887,C2v,C2v,-8.399,B1,3.0,-2.0284,A2,3.0,-426.46524757,5.6689 |
| 8356,C3v,C3,-6.3107,A,29.0,1.3092,A,30.0,-326.52284389,2.3535 |
| 4952,C2v,C2v,-6.355,B1,3.0,-1.1927,B1,4.0,-414.48728248,4.3125 |
| 89383,Cs,Cs,-6.27,Ap,22.0,2.412,Ap,23.0,-424.1111499,1.25986 |
| 68092,Cs,Cs,-6.0226,App,13.0,0.1446,Ap,22.0,-387.01177808,2.78261 |
| 52087,Cs,C1,-6.2516,,,0.5851,,,-418.98420028,4.01937 |
| 52594,Cs,Cs,-7.7818,Ap,21.0,-0.1819,Ap,22.0,-379.50733251,5.03033 |
| 878,C2v,C2v,-4.369,A2,2.0,2.0255,A1,13.0,-360.3878215,0.60763 |
| 129076,C2v,C2v,-6.4794,B1,3.0,-1.906,A2,3.0,-428.81662824,3.18608 |
| 128085,Cs,Cs,-8.0224,App,6.0,-2.1349,App,7.0,-482.01641651,5.473 |
| 24323,C2v,C2v,-5.5267,A2,2.0,-1.3959,B2,4.0,-395.63586116,3.06595 |
| 108250,Cs,C1,-6.6931,,,2.2951,,,-352.28675509,0.13694 |
| 45844,Cs,Cs,-6.9659,Ap,19.0,-0.8542,App,15.0,-437.80043901,3.27999 |
| 73862,Cs,Cs,-6.1602,App,7.0,0.5478,App,8.0,-403.08322774,4.5122 |
| 98524,Cs,C1,-5.9335,,,-0.5615,,,-402.97099076,2.26745 |
| 99937,Cs,Cs,-7.2898,App,9.0,-1.036,Ap,25.0,-401.78825295,5.9697 |
| 63746,Cs,Cs,-6.2834,App,10.0,2.2065,Ap,26.0,-388.1866902,1.66658 |
| 48575,Cs,Cs,-6.848,App,12.0,-1.5522,Ap,22.0,-437.66018745,1.46968 |
| 13,Cs,Cs,-7.011,App,3.0,2.247,Ap,11.0,-154.93546823,1.54693 |
| 73299,C2v,C2v,-6.5724,A2,3.0,1.7892,A1,16.0,-458.73906586,0.24578 |
| 33717,Cs,Cs,-6.5553,Ap,20.0,0.4515,Ap,21.0,-363.32906812,1.65656 |
| 14794,Cs,Cs,-6.6829,App,8.0,2.5183,Ap,26.0,-387.23999543,0.20617 |
| 58765,Cs,Cs,-6.2348,App,12.0,2.3316,Ap,24.0,-388.19556222,1.49725 |
| 3489,C3v,C3v,-6.9694,App,9.0,2.7154,Ap,18.0,-272.5367316,0.00271 |
| 85972,Cs,Cs,-6.9828,App,11.0,2.4263,Ap,25.0,-352.27889402,0.11864 |
| 797,C2h,C2h,-6.0988,Bg,3.0,-0.7971,Au,4.0,-416.83965619,0.0 |
| 9831,Cs,Cs,-7.1581,Ap,23.0,0.5633,App,9.0,-384.85622565,1.61478 |
| 17690,Cs,Cs,-6.1253,Ap,20.0,2.3119,Ap,21.0,-343.77418862,2.09702 |
| 36945,C2,C2,-7.3397,B,17.0,2.4293,A,19.0,-352.28169675,0.05323 |
| 125824,C2v,C2v,-6.919,B2,11.0,-2.3475,B1,5.0,-453.73519373,1.06423 |
| 64818,Cs,Cs,-6.4178,App,11.0,-0.5789,Ap,24.0,-422.87775609,1.80768 |
| 7730,Cs,Cs,-7.2595,Ap,18.0,-0.9232,App,13.0,-435.63242403,1.77864 |
| 52597,Cs,Cs,-7.5744,Ap,21.0,-0.7582,Ap,22.0,-395.5282474,6.16737 |
| 57501,Cs,Cs,-7.0072,Ap,25.0,-1.4489,App,10.0,-386.97034728,2.63306 |
| 104813,Cs,Cs,-6.9802,App,12.0,0.9609,App,13.0,-404.25456905,2.40709 |
| 74398,Cs,Cs,-5.5964,App,9.0,0.8443,App,10.0,-351.06846143,0.29346 |
| 7353,Cs,Cs,-6.2773,App,7.0,1.8561,App,8.0,-402.13238422,2.32698 |
| 12532,Cs,Cs,-6.2444,Ap,19.0,0.8076,App,13.0,-313.03741013,0.228 |
| 8743,C2,C2,-7.2317,A,15.0,-0.0539,B,15.0,-374.75752952,1.02028 |
| 10268,Cs,Cs,-6.6893,Ap,23.0,-0.8122,App,9.0,-400.91429826,6.02454 |
| 2730,C2,C2,-7.1534,B,14.0,2.0164,A,16.0,-383.85486959,1.72537 |
| 121830,Cs,Cs,-6.6587,App,11.0,2.1108,Ap,27.0,-390.62970235,1.04273 |
| 99029,Cs,Cs,-6.6024,App,10.0,1.9125,App,11.0,-441.42624395,2.23077 |
| 36951,Cs,Cs,-6.3988,Ap,19.0,2.2113,Ap,20.0,-388.17840429,0.9552 |
| 46288,Cs,Cs,-6.5472,Ap,23.0,0.7407,App,11.0,-401.85061541,3.44937 |
| 84360,Cs,Cs,-5.9795,App,9.0,0.1474,App,10.0,-399.24744095,3.55078 |
| 113,C2v,C2v,-7.026,B2,7.0,-1.0097,A2,2.0,-283.06482202,5.37669 |
| 28906,Cs,Cs,-6.4409,Ap,27.0,-0.539,App,7.0,-382.03369959,2.97251 |
| 18127,C2,C2,-6.5743,B,15.0,2.2674,A,17.0,-384.84817816,0.43939 |
| 117488,Cs,Cs,-6.3319,Ap,28.0,-0.6709,App,8.0,-456.23441597,3.24171 |
| 52462,C2,C2,-7.7853,B,17.0,-0.0027,A,19.0,-495.96010418,4.4109 |
| 53982,Cs,Cs,-6.913,Ap,26.0,0.0102,App,10.0,-476.12236749,0.58517 |
| 131291,Cs,Cs,-6.6608,App,6.0,-1.4296,App,7.0,-505.73361818,2.78779 |
| 6770,Cs,Cs,-7.1321,Ap,25.0,0.6258,App,8.0,-386.09249439,2.0059 |
| 17263,Cs,Cs,-6.7794,App,10.0,2.2291,Ap,21.0,-347.63053007,1.37306 |
| 133534,Cs,Cs,-6.9377,Ap,24.0,2.0149,Ap,25.0,-569.18615552,1.83424 |
| 2124,Cs,Cs,-6.4557,Ap,15.0,-2.7519,Ap,16.0,-380.25115515,2.80674 |
| 75030,Cs,Cs,-5.3675,Ap,19.0,-0.4777,App,15.0,-349.90068259,0.86868 |
| 38289,C2v,C2v,-6.0853,B1,8.0,2.4487,A1,16.0,-385.68666106,2.25006 |
| 7149,C2,C2,-6.6168,B,15.0,-0.2447,B,16.0,-421.92412989,4.63525 |
| 118672,Cs,Cs,-6.5003,Ap,22.0,-0.2242,App,15.0,-461.20829755,4.75367 |
| 23761,C2v,C2v,-7.4096,B1,3.0,-1.6454,B1,4.0,-462.56511067,2.07855 |
| 5891,Cs,Cs,-6.6872,App,10.0,2.2966,Ap,24.0,-351.35878566,0.95682 |
| 47710,C2,C2,-6.8057,B,16.0,0.456,A,19.0,-471.11725079,5.72525 |
| 48216,C2,C2,-8.4218,B,15.0,-3.0506,A,17.0,-451.34410855,2.66126 |
| 20238,C2v,C2v,-6.4732,A2,4.0,2.4724,A1,12.0,-310.5933106,0.07557 |
| 8496,Cs,Cs,-7.3705,Ap,20.0,2.4971,Ap,21.0,-312.97129341,0.23231 |
| 27347,C2v,C2v,-5.548,B2,11.0,-0.0869,B1,5.0,-401.8934659,7.06331 |
| 521,Cs,Cs,-6.4245,App,5.0,1.8798,Ap,19.0,-234.43397121,0.13942 |
| 2688,Cs,C1,-6.5272,,,1.7922,,,-309.60243827,1.24953 |
| 57496,Cs,Cs,-7.5656,Ap,24.0,-0.9066,Ap,25.0,-365.91008971,5.34969 |
| 24562,D2,C2,-5.3059,A,17.0,-0.4011,A,18.0,-396.78195369,2.58313 |
| 180,Cs,Cs,-6.435,App,5.0,0.3116,App,6.0,-286.34549615,0.81884 |
| 62473,Cs,Cs,-7.1794,Ap,23.0,0.47,App,12.0,-422.91311952,4.10661 |
| 86056,Cs,Cs,-6.1839,App,7.0,-0.2765,App,8.0,-403.10071508,4.02798 |
| 97666,Cs,C1,-6.3441,,,1.1075,,,-386.93404883,1.28785 |
| 48576,C2,C2,-7.0099,B,16.0,-1.4929,B,17.0,-457.52285219,0.47804 |
| 2859,Cs,Cs,-6.8558,Ap,16.0,2.7885,App,13.0,-310.84543597,1.81578 |
| 108787,Cs,Cs,-6.0239,App,10.0,0.8108,App,11.0,-424.10999114,2.4248 |
| 40905,Cs,Cs,-6.3733,App,11.0,2.0024,Ap,24.0,-386.96725947,2.25107 |
| 36968,C2,C2,-6.607,B,17.0,2.634,A,19.0,-388.16197917,0.80943 |
| 62900,Cs,Cs,-7.0372,Ap,25.0,0.6278,App,9.0,-401.75932525,5.36815 |
| 43420,Cs,Cs,-6.4506,App,13.0,-1.4381,Ap,21.0,-421.68008504,4.27808 |
| 117715,Cs,Cs,-6.9682,App,11.0,2.1443,Ap,27.0,-390.63229271,1.4937 |
| 116294,Cs,Cs,-6.5803,Ap,20.0,2.1961,Ap,21.0,-389.43221981,1.69369 |
| 658,Cs,Cs,-6.5037,Ap,15.0,2.5508,Ap,16.0,-271.59003513,1.38851 |
| 19746,D2,C2,-5.8933,A,16.0,2.5223,B,15.0,-383.58670375,1.61022 |
| 48120,Cs,Cs,-6.5707,App,6.0,-1.8656,App,7.0,-437.76394065,2.98288 |
| 19203,D2,C2,-6.5458,A,15.0,0.1113,A,16.0,-383.60801417,1.24474 |
| 65027,Cs,Cs,-6.7399,Ap,24.0,1.8033,Ap,25.0,-424.0654888,0.74062 |
| 124608,Cs,Cs,-5.6138,App,9.0,0.2355,App,10.0,-435.13662003,1.49824 |
| 99022,Cs,Cs,-6.435,Ap,26.0,-0.1778,App,11.0,-389.45405487,2.37118 |
| 35146,C2,C2,-8.1317,B,15.0,-1.0536,A,17.0,-415.44233005,3.37855 |
| 123198,Cs,Cs,-6.9596,App,8.0,1.064,Ap,28.0,-404.26377822,3.89342 |
| 5863,Cs,Cs,-7.1418,Ap,22.0,-1.5382,App,9.0,-383.58005771,4.08012 |
| 72545,Cs,Cs,-6.6954,App,12.0,1.8823,Ap,24.0,-388.24041131,1.53413 |
| 128857,Cs,Cs,-7.5897,App,11.0,-1.2473,Ap,24.0,-467.14767109,4.85798 |
| 362,C2,C2,-6.3731,A,13.0,1.931,B,12.0,-303.69623954,3.64103 |
| 2616,Cs,Cs,-7.468,Ap,14.0,-0.2798,Ap,15.0,-319.4372901,4.35328 |
| 25376,C2v,C2v,-7.2113,A2,2.0,-2.5702,B1,4.0,-456.42023382,5.91332 |
| 59262,Cs,Cs,-6.8285,Ap,22.0,2.185,Ap,23.0,-352.30729734,0.25134 |
| 59778,Cs,Cs,-7.6044,App,14.0,2.4069,Ap,23.0,-353.55023628,0.04028 |
| 778,C2v,C2v,-9.0882,B2,7.0,-2.3896,A2,2.0,-372.99826626,1.02968 |
| 24702,Cs,Cs,-6.1106,Ap,19.0,-1.2645,Ap,20.0,-396.83535339,0.98128 |
| 122715,Cs,C1,-6.4187,,,0.9373,,,-405.46392355,2.8865 |
| 123866,C2,C2,-7.7585,B,15.0,-0.9408,B,16.0,-417.85937001,4.53089 |
| 3975,Cs,Cs,-6.413,App,9.0,0.3499,App,10.0,-364.91803581,0.94241 |
| 98201,Cs,Cs,-6.9583,App,10.0,-0.6211,App,11.0,-461.2327548,3.99709 |
| 125542,Cs,Cs,-5.8139,App,7.0,1.2432,App,8.0,-381.95481534,2.65511 |
| 86469,Cs,Cs,-8.7253,App,8.0,-0.1197,Ap,25.0,-380.75626419,5.04906 |
| 18936,D2d,D2d,-7.4626,B1,7.0,2.7765,A,10.0,-311.80568049,0.0 |
| 1037,Cs,Cs,-5.7773,App,5.0,0.5387,App,6.0,-360.37985466,3.1767 |
| 57312,Cs,Cs,-6.789,Ap,26.0,-0.2909,App,10.0,-420.33806686,1.68962 |
| 124202,Cs,Cs,-7.5319,App,10.0,-1.2011,Ap,23.0,-428.79142359,5.34113 |
| 48117,Cs,Cs,-6.0795,App,6.0,-1.3992,App,7.0,-417.87468115,3.68421 |
| 5860,Cs,Cs,-6.4876,App,8.0,-0.3263,Ap,22.0,-346.422445,2.16039 |
| 22081,Cs,Cs,-5.8308,App,9.0,-0.5861,App,10.0,-403.01279743,1.28788 |
| 829,Cs,Cs,-7.904,App,8.0,1.527,Ap,18.0,-452.55735336,3.1316 |
| 57682,Cs,Cs,-7.3051,Ap,24.0,0.9589,Ap,25.0,-365.89293027,4.04997 |
| 123072,Cs,Cs,-6.4312,App,8.0,1.866,Ap,28.0,-388.17283343,1.37192 |
| 68072,Cs,Cs,-7.2532,App,13.0,2.2406,Ap,23.0,-352.31725661,0.12957 |
| 33399,Cs,Cs,-4.3491,App,8.0,-0.2368,Ap,25.0,-396.72869534,12.49884 |
| 57411,Cs,Cs,-6.3974,App,12.0,-0.3208,Ap,24.0,-388.21999266,3.02941 |
| 63806,Cs,Cs,-7.6781,App,11.0,2.5189,Ap,24.0,-351.05718559,0.12336 |
| 5913,Cs,Cs,-6.7796,Ap,22.0,-0.575,App,9.0,-347.68307433,2.32174 |
| 37326,C3v,C3v,-5.9839,Ap,19.0,1.5316,Ap,20.0,-397.90851805,3.6429 |
| 26510,Cs,Cs,-5.312,App,12.0,1.3854,Ap,22.0,-365.93071777,2.05485 |
| 21863,Cs,Cs,-6.1701,Ap,24.0,-0.6658,App,6.0,-414.49950187,5.13108 |
| 5675,C2v,C2v,-6.5553,B2,3.0,-0.4597,A2,3.0,-413.28601559,2.29969 |
| 39697,Cs,Cs,-5.9692,App,12.0,2.218,Ap,21.0,-384.48213696,2.06555 |
| 13917,Cs,C1,-6.2461,,,-0.418,,,-347.70658983,2.62236 |
| 53114,Cs,C1,-6.3208,,,1.6507,,,-351.0562397,0.13082 |
| 98223,Cs,Cs,-7.0723,App,7.0,-0.0835,App,8.0,-456.2792835,2.287 |
| 106833,Cs,Cs,-6.2154,App,15.0,2.819,Ap,21.0,-424.05123961,1.86073 |
| 26465,Cs,Cs,-5.7063,App,9.0,1.3068,App,10.0,-381.96649683,3.64141 |
| 29792,Cs,Cs,-4.8308,App,7.0,1.3166,App,8.0,-419.14613437,3.63547 |
| 26475,Cs,Cs,-6.0271,App,8.0,0.395,App,9.0,-401.84444906,1.20691 |
| 8341,Cs,Cs,-8.2067,Ap,21.0,1.0747,Ap,22.0,-326.59907494,3.87084 |
| 76458,Cs,Cs,-6.5727,Ap,24.0,-0.7884,App,11.0,-422.90970666,3.46317 |
| 44055,Cs,Cs,-6.4483,Ap,22.0,0.9942,App,12.0,-401.78699459,3.78664 |
| 26097,Cs,Cs,-5.3211,App,9.0,1.5286,App,10.0,-367.16782419,1.90453 |
| 62898,Cs,Cs,-6.7457,Ap,25.0,0.9043,App,9.0,-381.89130163,6.06774 |
| 8510,C2,C2,-6.0491,B,14.0,1.7237,A,17.0,-419.40255929,3.51372 |
| 133697,Cs,Cs,-8.2864,Ap,24.0,2.3808,Ap,25.0,-533.29845399,2.15977 |
| 58428,Cs,C1,-6.2325,,,2.3328,,,-388.13291095,2.01223 |
| 48028,C2v,C2v,-7.491,A1,14.0,-1.9361,A2,3.0,-419.18543881,0.0337 |
| 120846,Cs,Cs,-6.8513,Ap,20.0,2.6785,Ap,21.0,-389.41338725,1.68898 |
| 89713,Cs,Cs,-6.53,Ap,23.0,2.4898,Ap,24.0,-352.28528925,0.13708 |
| 19115,Oh,Oh,-6.8954,B1g,3.0,2.2484,B3u,5.0,-309.24995754,0.0 |
| 21756,C2v,C2v,-7.3689,B2,3.0,-1.1167,A2,3.0,-413.22333658,3.29213 |
| 117270,Cs,Cs,-6.2625,App,8.0,1.0246,App,9.0,-440.16101326,2.56611 |
| 52460,C2,C2,-6.7053,B,17.0,0.78,A,19.0,-456.24992543,0.41866 |
| 58414,Cs,Cs,-6.669,App,14.0,2.2148,Ap,23.0,-353.51105241,0.14345 |
| 133482,Cs,C1,-7.6909,,,-2.1085,,,-566.74555797,4.18981 |
| 9823,Cs,Cs,-6.4243,Ap,23.0,-0.0688,App,9.0,-348.93899977,2.63536 |
| 8603,C3v,C3v,-7.0843,App,9.0,0.8187,Ap,19.0,-308.01821742,0.48217 |
| 20109,C2v,C2v,-6.497,B2,9.0,-0.2281,B1,6.0,-347.70515187,2.53734 |
| 68182,Cs,Cs,-6.7772,App,12.0,2.2554,Ap,24.0,-388.19815544,1.40245 |
| 5982,Cs,Cs,-6.9657,App,10.0,1.979,Ap,24.0,-387.24027197,0.02163 |
| 1303,Cs,Cs,-7.2198,Ap,19.0,0.4517,App,9.0,-345.58106175,4.11722 |
| 317,C3v,C3v,-6.0105,Ap,16.0,2.4547,Ap,17.0,-250.42045084,2.0608 |
| 7335,Cs,Cs,-6.5388,Ap,25.0,-2.2474,App,7.0,-420.74598473,1.00768 |
| 57803,Cs,Cs,-6.198,Ap,23.0,1.2892,Ap,24.0,-367.06558018,1.76681 |
| 65485,Cs,Cs,-7.3621,App,9.0,0.9243,Ap,25.0,-401.80195627,2.21923 |
| 86475,Cs,Cs,-5.8894,Ap,24.0,0.9217,App,9.0,-364.58079249,1.0401 |
| 26151,Cs,Cs,-5.2153,App,9.0,1.3546,App,10.0,-419.11483339,2.50419 |
| 106333,Cs,Cs,-8.2056,App,9.0,0.8828,Ap,25.0,-365.88939417,4.63732 |
| 284,Cs,C1,-6.4674,,,1.1275,,,-287.65917937,3.50139 |
| 3484,C2,C2,-7.2207,A,14.0,2.959,A,15.0,-272.48880677,0.07449 |
| 39632,Cs,Cs,-6.1609,Ap,23.0,2.0981,Ap,24.0,-402.92580507,1.73917 |
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| 5799,Cs,Cs,-6.9613,Ap,23.0,0.6202,App,10.0,-386.09676383,1.86175 |
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| 37580,C2v,C2v,-5.6946,B2,7.0,2.1913,B2,8.0,-384.48219839,1.49692 |
| 256,Cs,Cs,-7.4053,Ap,17.0,0.4206,App,8.0,-307.5111341,4.18433 |
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| 27893,C3h,C3h,-6.8987,Ap,27.0,-0.8382,App,7.0,-398.08665227,0.00015 |
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| 10701,Cs,Cs,-5.4931,Ap,21.0,-0.3579,App,11.0,-364.94615841,2.31502 |
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| 57742,Cs,Cs,-7.062,Ap,23.0,-1.7922,Ap,24.0,-363.45216782,6.54567 |
| 7059,Cs,Cs,-8.8962,App,12.0,0.1712,Ap,18.0,-342.71083622,3.41074 |
| 33389,Td,Td,-10.7007,B1,7.0,-1.8452,B1,8.0,-409.16403677,0.0 |
| 76353,Cs,Cs,-7.9311,App,10.0,-0.1637,Ap,23.0,-380.75756297,5.24553 |
| 63511,Cs,Cs,-6.0868,Ap,23.0,2.3166,Ap,24.0,-386.89773152,2.1329 |
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| 57416,Cs,Cs,-6.2496,App,12.0,-0.1146,Ap,24.0,-424.12048424,4.50846 |
| 23047,Cs,Cs,-6.6034,Ap,25.0,-0.0948,App,10.0,-438.85675005,2.00191 |
| 118641,Cs,Cs,-8.2916,App,14.0,1.0765,Ap,22.0,-368.3751323,3.76625 |
| 15025,Cs,Cs,-7.6691,Ap,17.0,-0.5985,Ap,18.0,-357.4727602,5.14657 |
| 6232,Cs,Cs,-5.5965,Ap,19.0,2.2753,Ap,20.0,-330.25386092,1.20214 |
| 6260,Cs,Cs,-6.8479,App,8.0,-0.5001,App,9.0,-363.74511813,3.7312 |
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| 116686,Cs,Cs,-6.5463,App,9.0,0.5811,App,10.0,-402.97592309,3.03108 |
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| 4954,C2v,C2v,-5.8011,B1,3.0,-0.8885,B1,4.0,-414.56210993,6.57347 |
| 64483,C2,C2,-6.4338,B,17.0,2.6314,A,20.0,-425.3462765,0.71264 |
| 43440,Cs,Cs,-7.4195,Ap,25.0,-0.268,App,9.0,-437.77399233,2.93963 |
| 124513,Cs,Cs,-6.8267,Ap,25.0,-2.2847,App,9.0,-413.99909004,5.41842 |
| 67617,C2,C2,-5.5433,B,16.0,2.9189,B,17.0,-349.83654775,0.1597 |
| 110105,Cs,Cs,-5.812,Ap,22.0,2.0829,Ap,23.0,-425.28179697,2.0461 |
| 655,C2,C2,-6.2703,B,11.0,1.0494,A,13.0,-234.47585551,0.22415 |
| 99010,C2v,C2v,-6.3709,B1,13.0,-0.5985,A2,4.0,-472.27669014,3.39267 |
| 77487,Cs,Cs,-6.0815,App,11.0,0.5586,Ap,24.0,-386.97156161,3.07409 |
| 77698,Cs,Cs,-6.7852,App,13.0,2.4844,Ap,22.0,-351.04317539,0.06079 |
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| 32530,Cs,Cs,-4.9828,Ap,19.0,1.3306,Ap,20.0,-419.07189504,2.79084 |
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| 26375,Cs,Cs,-5.6854,App,9.0,0.7881,App,10.0,-438.99904867,4.58514 |
| 104,D3h,D3h,-8.019,B2,4.0,3.0864,A1,10.0,-195.11841646,0.00022 |
| 68292,Cs,Cs,-6.2872,Ap,23.0,2.0415,Ap,24.0,-402.93434585,2.85978 |
| 37011,C2v,C2v,-6.7178,B1,6.0,2.024,B2,11.0,-386.95436596,1.83368 |
| 31558,Cs,C1,-4.8616,,,1.2904,,,-422.92562716,1.09909 |
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| 57505,Cs,Cs,-6.9567,App,9.0,-0.5492,App,10.0,-403.00356727,0.75239 |
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| 126602,Cs,Cs,-8.4906,App,11.0,-1.1001,Ap,24.0,-431.2661172,5.37501 |
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| 33431,Cs,Cs,-6.6646,Ap,24.0,0.5011,App,8.0,-383.17863211,1.77631 |
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| 1118,C2,C2,-6.8538,B,13.0,0.5121,A,15.0,-393.74856727,5.8515 |
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| 40,Cs,Cs,-6.6984,App,4.0,2.6501,Ap,14.0,-194.21649447,1.1247 |
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| 1091,Cs,Cs,-6.9805,App,9.0,2.1299,Ap,21.0,-312.06850029,1.47961 |
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| 57690,Cs,C1,-8.1172,,,-0.2088,,,-417.86756262,6.09596 |
| 53728,Cs,C1,-6.6619,,,-0.2779,,,-403.04087289,4.05544 |
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| 6967,Cs,Cs,-5.9925,App,9.0,0.8363,App,10.0,-348.94055867,1.68931 |
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| 124532,Cs,Cs,-7.3896,App,9.0,-0.3877,App,10.0,-415.2660453,2.4047 |
| 76335,Cs,Cs,-6.432,App,12.0,1.6817,Ap,25.0,-425.30473667,2.64637 |
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| 76206,Cs,Cs,-6.5331,Ap,22.0,1.6327,Ap,23.0,-425.32388706,0.48801 |
| 117250,Cs,C1,-6.2038,,,1.0999,,,-404.27289624,3.82042 |
| 70828,Cs,Cs,-6.2762,Ap,23.0,2.1147,Ap,24.0,-422.80845019,0.44466 |
| 53727,Cs,Cs,-6.853,Ap,25.0,-1.1594,App,10.0,-422.87707957,3.49424 |
| 912,C2v,C2v,-7.4374,B2,8.0,-1.5992,B1,4.0,-375.24720035,5.22253 |
| 29685,Cs,Cs,-4.8199,App,7.0,1.6548,App,8.0,-383.20832194,1.05463 |
| 40309,C2,C2,-6.6707,B,16.0,2.7824,A,19.0,-351.03597272,0.15095 |
| 43610,Cs,Cs,-7.4904,Ap,21.0,-0.5053,Ap,22.0,-419.18355368,4.08042 |
| 2498,Cs,Cs,-6.723,Ap,22.0,-0.8133,App,5.0,-356.56560679,5.46893 |
| 18096,D2h,D2h,-6.1469,B1u,3.0,0.5805,B2g,2.0,-383.60630789,0.0 |
| 117699,Cs,Cs,-6.6146,Ap,26.0,0.9751,App,11.0,-441.38677704,3.24524 |
| 14578,C2h,C2h,-8.8084,Ag,12.0,0.6748,Bu,12.0,-342.71124654,0.0 |
| 21639,Cs,Cs,-5.3469,App,13.0,-0.8361,App,14.0,-374.78665434,4.11655 |
| 9860,Cs,Cs,-7.0634,App,7.0,-0.8724,Ap,22.0,-325.39107386,5.70866 |
| 57246,Cs,Cs,-6.8377,Ap,25.0,-2.6501,App,9.0,-421.65349986,1.04999 |
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| 4977,C2,C2,-4.9372,B,14.0,0.6653,B,15.0,-342.73477099,1.28412 |
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| 52592,Cs,Cs,-6.7301,App,10.0,0.9817,Ap,22.0,-347.31523986,0.8898 |
| 26290,Cs,C1,-5.7967,,,-0.3049,,,-398.05745591,4.06478 |
| 1261,Cs,Cs,-6.7771,Ap,21.0,-1.0994,App,6.0,-308.41820914,3.56569 |
| 20546,Cs,Cs,-7.705,App,8.0,-0.5619,App,9.0,-375.9771788,1.96457 |
| 491,D2,C2,-7.7926,A,11.0,-2.4332,B,11.0,-303.80145097,2.41793 |
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| 406,Cs,Cs,-6.6671,Ap,17.0,-0.2724,App,7.0,-270.36166816,2.97923 |
| 30453,Cs,Cs,-4.7296,App,7.0,1.1481,App,8.0,-419.10000426,3.484 |
| 26145,Cs,Cs,-5.5493,App,9.0,0.8333,App,10.0,-387.03207705,0.6785 |
| 7150,C2v,C2v,-6.6833,B1,11.0,-0.2826,B2,5.0,-421.94685486,0.43035 |
| 63209,Cs,Cs,-5.6341,Ap,21.0,-0.7518,App,13.0,-349.88759819,0.20966 |
| 11131,C2,C2,-7.4405,B,16.0,2.5331,A,17.0,-314.23561539,0.07708 |
| 20545,Cs,C1,-6.9267,,,0.1319,,,-359.94940494,0.49595 |
| 3487,C2,C2,-6.5526,B,12.0,2.0156,B,13.0,-344.27403605,0.26123 |
| 108244,Cs,C1,-6.8769,,,2.0191,,,-388.17386859,1.51056 |
| 1523,Cs,Cs,-7.1461,Ap,22.0,0.6483,App,7.0,-346.80980742,1.81592 |
| 26175,Cs,Cs,-5.5518,App,9.0,0.9087,App,10.0,-387.03375422,0.62509 |
| 59817,Cs,Cs,-6.7609,App,9.0,0.5169,App,10.0,-402.98408147,2.8102 |
| 57679,Cs,Cs,-6.6153,App,14.0,-0.9782,Ap,22.0,-460.02523626,2.68436 |
| 320,C2v,C2v,-7.5084,B2,7.0,-2.335,B1,3.0,-266.63283393,3.19861 |
| 62298,Cs,Cs,-8.0356,App,8.0,0.9752,App,9.0,-364.63738875,4.10456 |
| 97668,Cs,Cs,-6.6368,Ap,25.0,0.8537,Ap,26.0,-422.82375199,3.35022 |
| 3258,Cs,Cs,-5.5852,App,11.0,-0.3993,Ap,16.0,-272.53525384,0.62937 |
| 65928,Cs,Cs,-6.4645,Ap,24.0,1.4884,Ap,25.0,-459.95794379,1.97441 |
| 41747,Cs,Cs,-6.4569,Ap,23.0,2.5511,Ap,24.0,-422.88360028,1.73797 |
| 26094,Cs,Cs,-6.3254,App,9.0,0.2948,App,10.0,-438.97041083,3.35566 |
| 6823,Cs,Cs,-6.3253,App,9.0,1.0111,App,10.0,-364.987599,4.46059 |
| 5988,Cs,Cs,-7.8887,Ap,23.0,2.1976,Ap,24.0,-315.46162355,0.02001 |
| 39786,C2v,C2v,-6.8296,B1,10.0,2.9989,B2,7.0,-349.76983505,0.01042 |
| 27403,C2v,C2v,-7.3291,B1,11.0,-0.9032,B2,5.0,-525.65538057,3.62211 |
| 15019,Cs,Cs,-6.581,Ap,17.0,0.6649,Ap,18.0,-325.28251526,1.5159 |
| 68006,Cs,Cs,-6.7424,App,9.0,1.0911,App,10.0,-403.04500215,3.03812 |
| 63274,Cs,Cs,-6.4887,Ap,23.0,1.1369,App,12.0,-403.04957596,3.87942 |
| 23398,Cs,Cs,-5.9418,App,10.0,-0.1811,Ap,23.0,-400.53478981,1.01062 |
| 126705,Cs,Cs,-6.3156,App,13.0,0.7987,Ap,22.0,-399.2559984,5.98988 |
| 122283,Cs,Cs,-6.5858,App,10.0,2.6369,Ap,26.0,-388.15562548,1.01398 |
| 519,Cs,Cs,-6.549,Ap,19.0,0.8958,App,6.0,-287.60701834,2.97173 |
| 14661,C2h,C2h,-5.994,Bg,3.0,0.1288,Bu,12.0,-310.54579368,0.0 |
| 62574,Cs,Cs,-6.529,Ap,24.0,2.6517,Ap,25.0,-351.03917403,0.02959 |
| 53683,Cs,Cs,-6.7127,App,7.0,0.5215,App,8.0,-422.91001065,1.81384 |
| 57379,C3v,C3v,-5.9076,Ap,23.0,1.8521,Ap,24.0,-368.27147264,2.05526 |
| 110096,Cs,Cs,-6.6568,App,14.0,2.2658,Ap,23.0,-353.51349067,0.11126 |
| 6541,Cs,Cs,-6.2915,App,11.0,1.9871,Ap,22.0,-350.1171343,1.33511 |
| 117091,Cs,C1,-6.472,,,-1.2948,,,-456.20014739,2.53147 |
| 340,Cs,Cs,-7.3503,Ap,19.0,-0.8814,App,5.0,-322.35913023,0.62743 |
| 33259,Cs,Cs,-5.2881,App,11.0,1.4343,Ap,24.0,-367.16590828,2.24684 |
| 2613,C2v,C2v,-6.9964,B2,3.0,0.4499,A1,12.0,-307.10275769,1.48886 |
| 26296,Cs,Cs,-5.8003,App,9.0,0.6913,App,10.0,-438.9654776,3.90176 |
| 98194,Cs,Cs,-6.3822,Ap,26.0,1.2249,App,11.0,-441.39885592,3.22737 |
| 9,C3v,C3v,-8.8064,App,2.0,1.1375,App,3.0,-132.67055364,3.7989 |
| 126600,Cs,Cs,-6.8589,Ap,23.0,0.1527,Ap,24.0,-399.23310972,0.81022 |
| 18976,Cs,Cs,-6.5018,Ap,20.0,2.8122,Ap,21.0,-347.66312832,1.33817 |
| 26089,Cs,Cs,-5.702,App,9.0,1.1988,App,10.0,-383.22098593,3.27092 |
| 64303,Cs,Cs,-6.5635,App,9.0,-1.683,App,10.0,-422.92096122,2.8798 |
| 7715,Cs,Cs,-6.6586,Ap,18.0,-0.149,App,13.0,-395.85282345,2.01226 |
| 8406,Cs,Cs,-6.3816,Ap,20.0,1.973,Ap,21.0,-348.88795388,2.10462 |
| 9121,Cs,C1,-6.7664,,,-1.0578,,,-347.70330759,3.59125 |
| 55743,Cs,Cs,-7.1655,Ap,25.0,0.4527,App,10.0,-422.88779026,1.56909 |
| 97709,Cs,Cs,-6.391,App,9.0,1.4756,Ap,25.0,-349.79595491,0.24393 |
| 133549,C3v,C3v,-8.4766,Ap,23.0,2.7594,Ap,24.0,-532.03603287,2.26918 |
| 6436,Cs,Cs,-6.7388,App,8.0,1.7474,Ap,23.0,-311.75997489,0.64002 |
| 55635,Cs,Cs,-7.1331,Ap,25.0,0.414,App,10.0,-422.895446,1.43642 |
| 121600,Cs,Cs,-6.5378,Ap,28.0,-2.2273,App,8.0,-460.03649216,1.19883 |
| 125558,Cs,Cs,-7.1273,App,6.0,-1.5632,App,7.0,-433.95842715,3.38021 |
| 62940,Cs,Cs,-6.6161,Ap,20.0,2.2778,Ap,21.0,-388.17215711,1.89364 |
| 102372,C2v,C2v,-6.6368,B2,9.0,-1.0278,B1,9.0,-495.90531169,2.22092 |
| 52779,Cs,C1,-6.3458,,,-0.4651,,,-385.75764068,3.0344 |
| 68579,Cs,Cs,-8.1142,Ap,24.0,1.1133,Ap,25.0,-365.89002853,4.01518 |
| 64939,Cs,C1,-6.6124,,,0.6443,,,-364.66578402,4.04017 |
| 106338,Cs,Cs,-7.2267,App,9.0,0.8015,Ap,25.0,-401.77781804,4.30998 |
| 33288,C3v,C3v,-7.4903,Ap,23.0,-1.0185,App,9.0,-363.41901389,5.52862 |
| 37985,C2,C2,-6.1824,B,16.0,2.0506,A,19.0,-386.93450283,2.30294 |
| 8571,C2v,C2v,-7.6691,B2,8.0,1.042,B1,7.0,-419.55238159,5.69717 |
| 123922,C2,C2,-5.8144,B,15.0,-0.2385,B,16.0,-449.91675994,6.08267 |
| 64195,Cs,Cs,-6.295,App,12.0,2.0973,Ap,24.0,-388.18550539,1.74053 |
| 18760,C2,C2,-6.1894,B,14.0,1.9478,A,17.0,-347.65844376,1.78786 |
| 24330,C2v,C2v,-5.7179,A2,2.0,0.6667,B1,5.0,-384.60408363,0.93965 |
| 58764,Cs,Cs,-7.5394,Ap,23.0,2.3037,Ap,24.0,-352.30263274,0.09514 |
| 70815,Cs,Cs,-5.9543,App,11.0,2.456,Ap,24.0,-386.92013122,1.79956 |
| 57713,Cs,Cs,-7.2316,Ap,25.0,-0.9457,App,10.0,-438.94373063,3.7192 |
| 1129,C2,C2,-8.0558,B,14.0,2.2889,A,16.0,-276.18190388,0.09208 |
| 41743,Cs,Cs,-7.3916,App,11.0,2.4266,Ap,24.0,-351.09993671,0.16749 |
| 105109,Cs,Cs,-6.6542,App,11.0,2.1244,Ap,25.0,-388.16551948,1.52742 |
| 871,C2,C2,-4.549,A,14.0,1.7987,B,13.0,-320.66559275,0.1406 |
| 19098,C2v,C2v,-6.0194,A1,11.0,1.0766,A1,12.0,-382.3010678,2.9837 |
| 26293,Cs,Cs,-5.0244,App,9.0,1.3678,App,10.0,-419.14542525,4.1289 |
| 19089,D2h,D2h,-7.2711,B2g,3.0,2.5505,Ag,8.0,-311.74903547,0.0 |
| 23903,Cs,Cs,-7.7657,App,9.0,0.4753,Ap,23.0,-492.76398359,3.3186 |
| 23859,Cs,Cs,-7.0818,Ap,23.0,-0.6802,App,10.0,-529.94162287,3.96473 |
| 10019,Cs,Cs,-7.0006,Ap,25.0,-1.1199,App,6.0,-415.73440076,5.5113 |
| 124589,Cs,Cs,-6.0642,App,9.0,1.038,App,10.0,-383.20887803,2.02091 |
| 6,D3d,D3d,-9.1619,Ag,4.0,2.9461,Ag,5.0,-79.76391399,0.0 |
| 57327,Cs,Cs,-6.8842,App,12.0,1.8099,Ap,24.0,-352.26548161,0.49294 |
| 2070,Cs,Cs,-6.2663,App,10.0,-0.1771,Ap,18.0,-309.68739756,3.03087 |
| 5888,Cs,Cs,-7.9597,Ap,23.0,2.2221,Ap,24.0,-315.46521879,0.02831 |
| 6422,Cs,Cs,-6.5636,App,8.0,-0.5845,Ap,22.0,-346.4614873,2.33921 |
| 437,C2v,C2v,-6.4775,B2,7.0,-0.3487,B1,4.0,-269.17349016,2.59625 |
| 45895,Cs,Cs,-5.9275,App,13.0,-0.4815,Ap,21.0,-385.79208323,2.70402 |
| 73869,Cs,Cs,-5.6935,Ap,20.0,1.0939,App,16.0,-352.3259873,0.08489 |
| 42528,C2v,C2v,-6.3499,B1,6.0,-0.665,B1,7.0,-421.6444343,1.37314 |
| 123202,Cs,Cs,-6.7612,App,8.0,1.7144,Ap,28.0,-388.15799869,1.51753 |
| 97211,C2v,Cs,-6.887,App,15.0,-0.7578,Ap,20.0,-454.99677413,3.03858 |
| 64116,C2,C2,-7.8974,B,17.0,2.0545,A,20.0,-353.54425562,0.02008 |
| 127834,Cs,C1,-7.2642,,,-1.8907,,,-462.12085331,5.9681 |
| 89377,Cs,Cs,-6.597,Ap,22.0,2.3489,Ap,23.0,-352.31372156,0.22665 |
| 2003,C3v,C3v,-6.4652,Ap,18.0,1.1079,App,8.0,-287.22612072,1.43514 |
| 21768,Cs,Cs,-6.5907,App,11.0,-3.1369,App,12.0,-377.34186352,1.44504 |
| 123075,Cs,Cs,-6.4052,Ap,27.0,1.8941,Ap,28.0,-352.2854613,0.13695 |
| 14632,D*h,D3d,-5.8653,Au,3.0,-0.8286,Ag,12.0,-308.09193704,0.0 |
| 8772,C2,C2,-6.7633,B,15.0,-0.886,A,17.0,-384.84510359,4.23092 |
| 3736,Cs,Cs,-8.537,App,9.0,-1.153,Ap,18.0,-352.69787101,5.05781 |
| 3764,Cs,Cs,-7.4523,App,5.0,-0.3873,App,6.0,-336.69801318,2.53391 |
| 6751,Cs,Cs,-6.9264,Ap,24.0,-1.2269,App,7.0,-383.57865641,4.53981 |
| 64357,C2,C2,-6.5203,B,17.0,2.1437,A,20.0,-425.34373203,1.23684 |
| 23896,Cs,Cs,-7.313,App,9.0,1.3948,Ap,23.0,-492.76689357,1.45562 |
| 57224,Cs,Cs,-7.5495,Ap,23.0,-1.0588,Ap,24.0,-363.4246997,5.05554 |
| 121843,Cs,Cs,-6.5893,App,11.0,2.3814,Ap,27.0,-426.5290762,0.22347 |
| 77673,Cs,Cs,-6.4857,Ap,22.0,2.3331,Ap,23.0,-352.31261906,0.07123 |
| 21048,Cs,Cs,-5.6381,Ap,18.0,0.2064,Ap,19.0,-431.74257777,2.03266 |
| 39531,C2,C2,-5.4859,B,15.0,0.6395,B,16.0,-348.6596453,0.29182 |
| 8555,Cs,Cs,-5.7231,Ap,18.0,2.2993,Ap,19.0,-327.77475575,2.07801 |
| 22185,Cs,Cs,-5.9003,App,6.0,-1.0294,App,7.0,-400.50126072,1.20979 |
| 52574,Cs,Cs,-6.5585,App,12.0,1.2124,App,13.0,-347.32667393,0.84998 |
| 21780,C2v,C2v,-8.8835,A1,13.0,-3.1834,B1,4.0,-486.23404608,1.09649 |
| 26134,Cs,Cs,-5.1473,App,9.0,1.5319,App,10.0,-383.19125533,2.21031 |
| 26295,Cs,Cs,-5.0129,App,9.0,1.0871,App,10.0,-419.10609363,3.88933 |
| 34476,Cs,Cs,-7.1784,Ap,18.0,-2.518,App,14.0,-395.59607113,5.0682 |
| 37854,Cs,Cs,-6.0164,Ap,19.0,1.1075,Ap,20.0,-437.67039603,3.116 |
| 8203,Cs,Cs,-6.5964,Ap,19.0,2.3949,Ap,20.0,-348.92490877,1.75036 |
| 7578,Cs,Cs,-6.4633,Ap,21.0,1.9366,Ap,22.0,-350.12258754,2.07759 |
| 43365,Cs,Cs,-6.2884,Ap,25.0,-1.1006,App,9.0,-385.80256181,3.38707 |
| 14164,Cs,Cs,-6.4648,Ap,21.0,2.4698,Ap,22.0,-348.9095041,1.75794 |
| 48569,Cs,Cs,-7.1938,Ap,24.0,-1.2266,App,9.0,-400.57533339,2.66908 |
| 53469,Cs,Cs,-6.275,App,7.0,0.9956,App,8.0,-403.02913753,3.28629 |
| 131724,C2,C2,-7.5726,A,18.0,-0.7067,B,17.0,-490.8832084,0.22971 |
| 1083,Cs,Cs,-6.9373,Ap,19.0,1.5524,Ap,20.0,-273.7071063,0.57237 |
| 124468,Cs,Cs,-7.1888,App,9.0,-0.8394,App,10.0,-454.96496631,4.83976 |
| 93846,Cs,Cs,-7.6503,App,14.0,2.0834,Ap,23.0,-353.54330634,0.09471 |
| 37317,C3v,C3v,-6.3865,App,14.0,1.9062,Ap,20.0,-349.8329965,0.42711 |
| 31073,Cs,Cs,-4.9339,App,7.0,0.8588,App,8.0,-422.9236062,1.61368 |
| 121523,Cs,C1,-6.8468,,,-1.1637,,,-422.87064331,2.51959 |
| 6779,Cs,Cs,-6.5797,Ap,25.0,-0.1773,App,8.0,-386.05483596,3.65674 |
| 70811,C2v,C2v,-5.9301,B1,8.0,0.0942,A2,3.0,-385.7169797,1.59964 |
| 8394,Cs,Cs,-6.3603,Ap,22.0,0.8687,App,9.0,-363.73336052,3.51747 |
| 125588,Cs,C1,-6.5093,,,0.6351,,,-414.05173214,1.89574 |
| 68076,Cs,Cs,-6.161,Ap,22.0,2.3596,Ap,23.0,-388.2238548,1.58335 |
| 62520,Cs,Cs,-6.7739,App,13.0,-1.0205,App,14.0,-422.90308296,3.62369 |
| 8606,C3v,C3v,-9.9744,Ap,18.0,-1.0087,Ap,19.0,-356.29735527,3.6385 |
| 62807,Cs,Cs,-7.9914,Ap,22.0,0.8023,Ap,23.0,-365.87823081,4.23105 |
| 8522,Cs,Cs,-5.9788,Ap,20.0,2.4716,Ap,21.0,-327.75055019,1.64062 |
| 59127,Cs,Cs,-7.4946,Ap,23.0,2.4819,Ap,24.0,-351.01147199,0.06014 |
| 1082,Cs,Cs,-6.4987,App,8.0,1.4801,Ap,20.0,-309.60897866,1.42466 |
| 119730,Cs,Cs,-6.2885,App,12.0,2.3844,Ap,24.0,-388.17627533,0.91732 |
| 63405,Cs,Cs,-6.7918,Ap,25.0,-0.8508,App,10.0,-438.98979883,5.79239 |
| 98996,Cs,Cs,-6.463,App,7.0,0.8343,App,8.0,-472.32809704,3.42361 |
| 42279,Cs,Cs,-6.4274,App,6.0,-0.8094,App,7.0,-396.79643165,6.11974 |
| 48490,C2,C2,-6.9909,B,16.0,-1.538,A,19.0,-422.92953297,1.79796 |
| 16021,Cs,Cs,-6.9389,App,11.0,2.4409,Ap,21.0,-384.81505893,1.90334 |
| 2410,Cs,Cs,-6.2452,Ap,20.0,2.6139,Ap,21.0,-309.57208684,2.03958 |
| 102197,Cs,Cs,-6.9214,App,13.0,1.1834,Ap,21.0,-349.79387216,0.30226 |
| 15942,Cs,Cs,-6.3198,App,11.0,2.383,Ap,21.0,-348.88712148,1.02097 |
| 17847,C2v,C2v,-6.4654,B1,6.0,2.2785,A1,15.0,-347.62889619,2.04773 |
| 36017,Cs,Cs,-7.3435,App,12.0,0.6201,Ap,20.0,-363.41278233,3.82473 |
| 3260,C2,C2,-6.1666,B,12.0,0.812,A,15.0,-272.52582619,0.05313 |
| 50506,C2,C2,-6.8329,B,16.0,-0.8347,A,19.0,-422.92948944,1.46442 |
| 44045,Cs,Cs,-6.7651,Ap,22.0,0.7692,App,12.0,-401.76110418,2.80692 |
| 657,D3d,D3d,-7.8518,Ag,8.0,2.4865,Ag,9.0,-235.70134967,0.0 |
| 24829,C2,C2,-6.3695,B,15.0,-1.26,B,16.0,-416.63971311,4.27358 |
| 65075,Cs,Cs,-6.4783,App,10.0,-0.4998,App,11.0,-422.86114084,3.61531 |
| 57992,Cs,Cs,-6.7501,App,7.0,0.5085,App,8.0,-419.12418128,5.20694 |
| 42142,C2,C2,-6.3375,A,19.0,2.2007,A,20.0,-425.30036941,1.52978 |
| 43704,C2v,C2v,-6.4139,B2,9.0,-0.4394,B1,7.0,-385.72726586,2.86446 |
| 41037,Cs,Cs,-5.7062,App,13.0,2.1527,Ap,20.0,-348.53443581,0.48265 |
| 39624,Cs,Cs,-7.3315,Ap,23.0,2.6082,Ap,24.0,-351.02595998,0.19657 |
| 86463,Cs,Cs,-6.7985,App,14.0,2.6285,Ap,23.0,-425.35751843,1.61148 |
| 35676,C2,C2,-8.3404,B,15.0,-0.2071,A,18.0,-416.6741939,2.60075 |
| 14629,Ci,Ci,-6.7235,Ag,16.0,0.6865,Au,16.0,-416.96707558,0.0 |
| 5919,Cs,Cs,-6.7804,Ap,22.0,0.7412,App,9.0,-363.73711393,3.25269 |
| 126707,Cs,C1,-5.8031,,,1.5376,,,-471.05035554,3.46852 |
| 40131,Cs,Cs,-5.5924,App,13.0,-0.4018,Ap,21.0,-349.86606432,0.46829 |
| 5660,C2h,C2h,-5.4623,Au,3.0,0.0414,Bg,3.0,-381.20578919,0.0 |
| 59810,Cs,Cs,-6.6371,App,9.0,-0.238,App,10.0,-420.33135296,2.6861 |
| 90009,Cs,Cs,-6.9831,App,9.0,0.8239,App,10.0,-403.0251164,2.43654 |
| 544,Cs,Cs,-6.6828,App,6.0,2.6021,Ap,20.0,-272.78399347,1.0985 |
| 124539,Cs,Cs,-5.7624,App,9.0,1.3033,App,10.0,-419.10070798,2.61507 |
| 86,Cs,Cs,-6.94,App,7.0,2.6019,Ap,14.0,-232.27793526,1.95292 |
| 1346,Cs,Cs,-6.6366,App,8.0,0.82,App,9.0,-325.70890986,1.50428 |
| 77721,Cs,Cs,-5.9929,Ap,22.0,2.0973,App,13.0,-422.83947641,1.23112 |
| 7268,Cs,Cs,-6.7814,App,6.0,0.2415,App,7.0,-416.95408496,2.08563 |
| 3521,Cs,Cs,-6.1811,Ap,19.0,2.6292,Ap,20.0,-308.32481577,1.98885 |
| 121513,Cs,Cs,-5.9995,App,7.0,0.1916,Ap,27.0,-349.83013082,0.25186 |
| 33723,Cs,C2v,-7.869,B1,6.0,-1.1446,A1,15.0,-415.37596765,2.99947 |
| 9124,Cs,Cs,-7.0775,Ap,24.0,-0.7024,App,7.0,-383.61513845,2.35296 |
| 102328,C2v,C2v,-8.9247,B2,8.0,-0.1416,A1,15.0,-381.98657064,4.23357 |
| 452,C2,C2,-6.6008,B,10.0,1.8154,B,11.0,-302.49754903,4.04373 |
| 8325,Cs,Cs,-6.3333,App,9.0,-0.5416,Ap,22.0,-383.60146454,3.04942 |
| 122139,Cs,Cs,-6.4365,App,13.0,2.415,Ap,25.0,-390.64196831,0.8908 |
| 132407,D3h,D3h,-8.8918,B1,11.0,-1.6989,B2,5.0,-577.83579266,0.00013 |
| 31788,Cs,Cs,-5.0566,App,7.0,1.4201,App,8.0,-419.11061438,3.21581 |
| 17131,Cs,Cs,-6.1014,Ap,21.0,2.3359,Ap,22.0,-329.01863342,1.0475 |
| 102350,C2v,C2v,-6.7574,B2,8.0,1.1853,A1,15.0,-421.5575307,3.44658 |
| 65079,Cs,Cs,-6.2106,App,11.0,2.6607,Ap,24.0,-386.9120828,1.82438 |
| 42103,C2,C2,-6.6819,B,17.0,2.337,A,19.0,-424.1436113,0.79277 |
| 58972,Cs,Cs,-6.1646,Ap,25.0,-0.8745,App,10.0,-387.04106948,4.24587 |
| 322,C2v,C2v,-9.5519,B2,7.0,-4.1532,B1,3.0,-298.80407818,0.5673 |
| 62579,Cs,Cs,-6.0599,Ap,22.0,2.3396,Ap,23.0,-351.02185662,0.20884 |
| 15035,Cs,Cs,-6.718,App,12.0,-1.3644,Ap,19.0,-383.60564832,3.294 |
| 19211,D3h,D3h,-5.7129,A1,11.0,2.3115,A1,12.0,-311.73800855,0.0003 |
| 106398,Cs,Cs,-7.0139,App,12.0,2.1369,Ap,24.0,-388.14052482,1.55605 |
| 29856,Cs,Cs,-5.1704,App,12.0,1.2717,Ap,22.0,-365.95752402,1.67803 |
| 5923,Cs,Cs,-7.3216,Ap,22.0,0.2473,App,9.0,-383.59168106,4.38406 |
| 40210,Cs,Cs,-6.1827,Ap,21.0,0.8056,App,14.0,-351.08543315,0.12895 |
| 117684,Cs,Cs,-6.9545,App,10.0,1.4627,Ap,26.0,-388.15862899,1.56483 |
| 8332,Cs,Cs,-6.441,App,9.0,2.0901,Ap,23.0,-348.89234459,2.1668 |
| 5667,C2v,C2v,-4.6758,B2,3.0,1.4796,A2,3.0,-341.49403866,3.37997 |
| 74146,Cs,Cs,-6.3183,Ap,25.0,-0.3981,App,10.0,-403.0972375,4.80169 |
| 39625,Cs,Cs,-6.1726,App,11.0,2.487,Ap,24.0,-386.9136768,1.76065 |
| 116687,Cs,Cs,-6.1785,Ap,25.0,0.3479,App,10.0,-418.98802983,3.81255 |
| 124089,Cs,Cs,-6.8555,Ap,25.0,-0.2421,App,9.0,-433.88692279,1.61514 |
| 50507,C2,C2,-6.6412,B,16.0,-1.0053,A,19.0,-458.82275689,0.85884 |
| 96,Cs,Cs,-6.4611,Ap,14.0,2.3857,Ap,15.0,-232.27104591,2.04487 |
| 447,C2,C2,-6.308,B,10.0,-0.2473,B,11.0,-270.39880157,2.84587 |
| 27871,C3h,C3h,-6.0986,App,6.0,0.3927,App,7.0,-349.95373863,0.00021 |
| 68043,Cs,Cs,-5.9708,Ap,23.0,2.5306,Ap,24.0,-386.9154936,1.74166 |
| 123960,C2,C2,-7.1342,B,15.0,-0.9363,B,16.0,-489.62806991,5.74775 |
| 24834,C2,C2,-6.6951,B,15.0,-1.472,A,18.0,-428.88679891,7.43265 |
| 50972,Cs,Cs,-7.1827,App,13.0,-1.395,Ap,21.0,-437.7469515,2.03315 |
| 5989,Cs,Cs,-7.0401,App,10.0,2.0557,Ap,24.0,-351.35294662,1.39817 |
| 75019,Cs,Cs,-5.2296,App,15.0,-0.2281,Ap,20.0,-351.11302473,0.71298 |
| 40977,Cs,Cs,-6.5227,Ap,23.0,0.6993,App,11.0,-401.84554285,1.37699 |
| 97281,Cs,Cs,-6.4872,App,9.0,-0.4232,App,10.0,-420.32290467,3.69568 |
| 68066,Cs,Cs,-6.1265,App,9.0,0.8413,App,10.0,-351.09407096,0.16079 |
| 57356,Cs,Cs,-6.2217,Ap,24.0,1.6858,Ap,25.0,-425.30203949,3.58051 |
| 53966,Cs,Cs,-6.5882,Ap,25.0,0.9285,App,10.0,-403.0315991,3.49684 |
| 8780,Cs,Cs,-6.4829,App,6.0,-0.3752,App,7.0,-381.03838498,3.57441 |
| 124603,Cs,Cs,-5.7066,App,9.0,1.278,App,10.0,-419.10041716,2.57659 |
| 55736,Cs,Cs,-6.8628,App,9.0,0.9253,App,10.0,-402.99545414,1.26354 |
| 1285,Cs,C1,-6.654,,,0.9727,,,-362.82715627,2.50205 |
| 62759,Cs,Cs,-6.0111,App,11.0,1.5891,Ap,24.0,-419.11455892,4.06127 |
| 52927,Cs,Cs,-6.3124,App,9.0,1.5677,Ap,25.0,-385.69718976,1.50819 |
| 67724,Cs,Cs,-6.5511,App,10.0,0.0082,Ap,23.0,-384.57362254,2.37689 |
| 73872,Cs,Cs,-6.2237,Ap,20.0,0.4126,App,16.0,-424.1084779,2.12286 |
| 124470,Cs,Cs,-6.6646,App,9.0,0.2086,App,10.0,-435.12319703,3.10192 |
| 24329,C2v,C2v,-5.1921,A2,2.0,1.2682,A2,3.0,-364.74940173,1.87705 |
| 1832,C2,C1,-6.5196,,,-1.1012,,,-344.38301124,1.57019 |
| 49345,Cs,Cs,-6.9294,Ap,27.0,-0.773,App,7.0,-453.84924848,2.67354 |
| 6609,Cs,Cs,-6.8427,App,9.0,2.2871,Ap,23.0,-348.89639626,1.99884 |
| 12129,C2,C2,-6.5163,A,15.0,1.5523,B,16.0,-383.52654895,3.58859 |
| 70850,C2v,C2v,-5.6788,B1,10.0,2.5521,B2,7.0,-349.83281356,0.04041 |
| 23714,D2h,D2h,-6.4279,B3g,2.0,-0.4289,Au,1.0,-430.49146799,0.0 |
| 121811,Cs,Cs,-6.7866,App,10.0,1.7634,Ap,26.0,-388.15443072,1.52791 |
| 103751,C2,C2,-6.7338,B,17.0,2.3498,A,20.0,-389.41859387,1.72265 |
| 97283,Cs,Cs,-6.13,App,6.0,-0.1657,App,7.0,-415.26238037,0.5625 |
| 121757,Cs,Cs,-6.9588,App,8.0,0.5939,App,9.0,-461.25949076,2.67895 |
| 52862,Cs,C1,-6.4871,,,0.3786,,,-384.47205969,2.27133 |
| 44496,Cs,Cs,-6.5262,App,8.0,1.4092,App,9.0,-437.69622415,4.74037 |
| 68578,Cs,Cs,-6.2519,App,9.0,1.455,Ap,25.0,-385.67863928,1.56919 |
| 128924,Cs,Cs,-9.0064,App,10.0,-1.7393,Ap,23.0,-444.8807263,1.07558 |
| 108792,Cs,Cs,-6.4339,App,10.0,1.0298,App,11.0,-404.28900152,0.98511 |
| 121807,Cs,Cs,-7.2333,App,10.0,1.1183,Ap,26.0,-404.26461913,3.93295 |
| 60891,Cs,Cs,-6.6081,Ap,25.0,0.7616,App,10.0,-419.02066289,2.19482 |
| 20,C3v,C3v,-8.5522,Ap,11.0,2.4341,Ap,12.0,-158.33258195,0.08536 |
| 26495,Cs,Cs,-5.5232,App,8.0,1.1041,App,9.0,-381.98619717,3.34234 |
| 99038,Cs,C1,-6.4168,,,0.1628,,,-456.24710568,0.44149 |
| 104450,Cs,Cs,-6.7789,Ap,24.0,2.3977,Ap,25.0,-425.34477312,1.74768 |
| 63256,Cs,Cs,-7.5697,Ap,25.0,-1.5028,App,10.0,-474.91129445,3.55897 |
| 55750,Cs,C1,-7.1447,,,1.5762,,,-438.93646313,2.201 |
| 97358,Cs,Cs,-6.6048,App,9.0,0.845,App,10.0,-402.98336243,3.27953 |
| 63964,Cs,Cs,-7.4904,Ap,22.0,2.1714,Ap,23.0,-352.31077596,0.14949 |
| 29274,Cs,Cs,-5.5023,App,8.0,0.753,App,9.0,-401.81595288,0.8053 |
| 128699,C2v,C2v,-5.5916,B1,4.0,0.3951,B1,5.0,-471.01079135,0.9564 |
| 16189,Cs,Cs,-6.3723,Ap,22.0,-1.0362,App,8.0,-346.51980327,3.56508 |
| 8611,Cs,Cs,-7.2787,App,9.0,-0.2121,Ap,19.0,-343.90323893,1.58018 |
| 124604,Cs,Cs,-6.6619,App,9.0,0.5374,App,10.0,-399.26290437,3.38846 |
| 22201,Cs,Cs,-6.4249,App,8.0,0.6171,App,9.0,-441.31671204,1.13798 |
| 13835,Cs,Cs,-6.1558,App,6.0,0.3974,App,7.0,-363.79370401,3.84579 |
| 128659,Cs,C1,-5.7713,,,0.3934,,,-435.13132512,1.17932 |
| 5803,Cs,Cs,-4.4931,Ap,23.0,-0.5672,Ap,24.0,-402.05948314,14.60882 |
| 123100,Cs,Cs,-6.5711,Ap,28.0,-0.1693,App,9.0,-425.34410452,3.5293 |
| 26135,Cs,Cs,-5.6154,App,9.0,0.836,App,10.0,-403.05186495,0.15697 |
| 72407,C2,C2,-6.348,A,18.0,2.5242,B,18.0,-424.13100597,1.47943 |
| 57276,Cs,Cs,-6.2402,Ap,23.0,1.117,Ap,24.0,-383.16581191,3.11135 |
| 109113,Cs,Cs,-6.4109,App,7.0,-0.0702,App,8.0,-419.1437657,3.07325 |
| 59032,Cs,Cs,-6.4564,Ap,25.0,-0.4253,App,10.0,-403.09317818,3.77542 |
| 75133,Cs,C1,-6.3252,,,-1.3511,,,-419.12533376,0.64186 |
| 33385,Td,Td,-7.2579,B3,7.0,0.687,B1,8.0,-344.807686,0.0 |
| 74275,Cs,Cs,-6.4102,App,9.0,-0.4181,App,10.0,-403.07874732,3.15389 |
| 121531,Cs,C1,-6.4531,,,1.225,,,-388.16945177,0.89137 |
| 68451,Cs,Cs,-6.3526,Ap,25.0,1.1311,App,10.0,-403.07773272,3.71486 |
| 32537,C2v,C2v,-5.6577,A2,3.0,1.0048,B2,5.0,-458.79869415,3.85418 |
| 1660,Cs,Cs,-6.6636,App,6.0,0.6613,App,7.0,-362.82579677,4.58238 |
| 56136,Cs,Cs,-6.9677,App,10.0,1.0194,App,11.0,-441.38042926,2.58373 |
| 104680,C2,C2,-6.7685,A,18.0,2.125,A,19.0,-424.02313151,1.23064 |
| 72648,Cs,Cs,-7.1543,Ap,20.0,2.2911,Ap,21.0,-352.31873034,0.06219 |
| 39609,C2,C2,-6.2088,A,17.0,0.9173,A,18.0,-349.88994147,0.14287 |
| 127103,Cs,Cs,-5.7525,App,9.0,0.8196,App,10.0,-435.11674097,4.22105 |
| 476,C3,C3,-6.8606,A,24.0,1.4627,A,25.0,-343.33874152,0.68279 |
| 130916,C2v,C2v,-8.022,B1,12.0,-3.0185,B2,4.0,-488.41851078,2.38966 |
| 110147,C3,C3,-6.2126,A,36.0,1.9564,A,37.0,-461.15980093,1.23969 |
| 53549,Cs,C1,-5.9319,,,1.6264,,,-365.805479,1.97294 |
| 121826,Cs,Cs,-7.0082,App,11.0,2.0332,Ap,27.0,-426.52434942,2.86009 |
| 8640,Cs,Cs,-7.0832,App,10.0,0.5143,Ap,20.0,-346.39116358,0.92122 |
| 59849,Cs,Cs,-6.3928,Ap,26.0,-1.5184,App,10.0,-440.21719815,1.4496 |
| 117086,Cs,Cs,-6.4878,Ap,26.0,-0.2046,App,11.0,-461.22831345,3.49101 |
| 65916,Cs,Cs,-6.4574,Ap,24.0,2.1413,Ap,25.0,-388.17030358,2.03408 |
| 74258,Cs,Cs,-6.3142,Ap,25.0,-0.277,App,10.0,-387.03568786,2.66554 |
| 9337,Cs,Cs,-6.6033,Ap,25.0,-0.2,App,8.0,-386.0562683,1.42194 |
| 26466,Cs,Cs,-5.726,App,9.0,1.2446,App,10.0,-381.96542802,4.20776 |
| 42120,C2,C2,-6.395,A,18.0,1.4223,B,17.0,-351.06463011,0.82892 |
| 55648,Cs,Cs,-6.6196,Ap,26.0,-0.5514,App,10.0,-424.14685036,0.52278 |
| 6107,C2,C2,-6.9197,A,17.0,2.016,A,18.0,-387.25528945,0.0441 |
| 8722,C2h,C2h,-6.899,Ag,13.0,-4.2128,Au,3.0,-454.21093765,0.0 |
| 5049,C2v,C2v,-6.2906,B1,3.0,-2.0586,A2,2.0,-345.32363566,4.37753 |
| 2697,Cs,Cs,-7.2937,App,6.0,1.009,Ap,22.0,-325.69532253,3.87812 |
| 17659,Cs,C1,-6.2419,,,2.1953,,,-364.90475592,2.83283 |
| 53730,Cs,Cs,-6.8032,Ap,25.0,-0.3484,App,10.0,-438.9315501,3.47169 |
| 27843,Cs,Cs,-5.4198,App,13.0,0.196,Ap,21.0,-433.96112464,7.23422 |
| 1284,Cs,Cs,-6.6347,Ap,22.0,-0.2432,App,7.0,-346.77149666,1.54158 |
| 97714,Cs,C1,-6.3728,,,0.6008,,,-401.68729843,3.06348 |
| 5920,Cs,Cs,-7.244,Ap,22.0,0.2492,App,9.0,-379.8341107,0.94365 |
| 30638,Cs,Cs,-6.0272,App,6.0,-0.776,App,7.0,-437.76384082,3.84224 |
| 98793,Cs,Cs,-6.5882,App,7.0,0.1359,App,8.0,-438.97094432,4.9388 |
| 126706,Cs,Cs,-5.3707,App,13.0,1.3322,Ap,22.0,-431.32029786,5.26727 |
| 67728,C2v,C2v,-6.1436,B1,6.0,-0.006,A2,3.0,-385.70403135,1.75705 |
| 14261,C2v,C2v,-5.486,A2,2.0,-0.5988,B1,6.0,-310.58443124,0.55421 |
| 97108,Cs,Cs,-6.5575,App,9.0,0.8661,App,10.0,-403.0178202,2.05771 |
| 5124,Cs,Cs,-5.4287,App,6.0,1.2255,App,7.0,-343.94055665,3.79525 |
| 93,C2v,C2v,-7.1535,B2,5.0,-0.8928,B1,4.0,-266.96897193,0.71673 |
| 123254,Cs,Cs,-6.663,App,9.0,2.2512,Ap,29.0,-426.52843876,0.58163 |
| 62,Cs,Cs,-6.9289,Ap,13.0,1.7041,Ap,14.0,-195.1384037,0.62537 |
| 8339,Cs,Cs,-6.3624,App,8.0,1.3895,Ap,22.0,-346.38354112,1.57309 |
| 4957,C2v,C2,-6.1575,B,14.0,0.3156,A,16.0,-310.66521986,0.54153 |
| 7965,Cs,Cs,-5.7444,Ap,19.0,1.1716,App,13.0,-313.0503233,0.13897 |
| 43801,Cs,C1,-6.3619,,,0.9731,,,-401.80169406,3.65376 |
| 26306,Cs,Cs,-5.0282,App,9.0,0.9949,App,10.0,-435.12654703,3.16868 |
| 6579,C2v,C2v,-5.8764,B2,6.0,0.6324,A2,3.0,-311.77701038,0.12013 |
| 123256,Cs,Cs,-6.6525,App,9.0,2.5453,Ap,29.0,-426.52927753,0.07612 |
| 26373,Cs,Cs,-5.03,App,9.0,1.2834,App,10.0,-419.14242972,3.46569 |
| 100421,Cs,Cs,-6.2134,Ap,28.0,0.4857,App,8.0,-456.23946891,4.02771 |
| 124496,Cs,Cs,-5.4623,App,9.0,0.869,App,10.0,-419.09423783,1.29292 |
| 5658,C2h,C2h,-5.4243,Au,3.0,0.3599,Bg,3.0,-373.59438217,0.0 |
| 89564,Cs,Cs,-6.5069,App,9.0,0.8687,App,10.0,-403.04837816,2.11251 |
| 7638,Cs,Cs,-7.4633,Ap,21.0,2.4703,Ap,22.0,-314.23635815,0.09105 |
| 26099,Cs,Cs,-5.8612,App,9.0,0.7731,App,10.0,-387.02303742,0.83923 |
| 95808,Cs,Cs,-6.8103,App,14.0,2.3718,Ap,23.0,-425.34529338,1.74416 |
| 89548,Cs,Cs,-7.302,Ap,25.0,0.4711,App,10.0,-422.92427283,4.49306 |
| 44497,Cs,Cs,-6.7501,App,8.0,1.1834,App,9.0,-453.71158169,3.29496 |
| 2002,Cs,Cs,-6.4305,App,7.0,0.5237,Ap,19.0,-307.09586201,2.02894 |
| 26221,Cs,Cs,-6.0265,App,9.0,0.4517,App,10.0,-403.08887183,1.8135 |
| 5720,C2v,Cs,-5.5667,App,11.0,1.1015,Ap,19.0,-362.55960497,3.53316 |
| 39958,Cs,Cs,-6.335,App,10.0,2.1305,Ap,25.0,-386.94575115,1.66559 |
| 1179,Cs,Cs,-6.7053,App,8.0,1.4165,Ap,20.0,-309.58647481,1.55773 |
| 127265,Cs,Cs,-6.3641,Ap,25.0,0.1455,App,9.0,-414.01154219,2.91755 |
| 2,C2v,C2v,-7.816,B2,1.0,1.9082,A1,4.0,-76.36990358,2.08625 |
| 1193,Cs,Cs,-6.5895,App,9.0,2.0291,Ap,21.0,-347.95916945,0.35514 |
| 69772,C2,C2,-6.5672,B,16.0,2.6743,A,19.0,-351.08216696,0.09418 |
| 124441,Cs,Cs,-6.7019,App,9.0,0.1737,App,10.0,-399.22634768,3.9413 |
| 32533,C2v,C2v,-4.872,B1,4.0,1.7019,B1,5.0,-438.93573679,2.84464 |
| 64154,Cs,Cs,-7.0773,App,9.0,-1.8487,App,10.0,-438.97084626,3.55995 |
| 27915,C3h,C3h,-5.732,App,6.0,0.7331,App,7.0,-457.64548519,0.00049 |
| 37002,C2v,C2v,-5.7641,B1,5.0,0.0087,B1,6.0,-347.36097704,0.10319 |
| 696,C2v,C2v,-6.1885,B2,5.0,2.3047,A1,12.0,-269.04063611,1.96807 |
| 11088,C2,C2,-6.9075,B,13.0,0.1318,A,16.0,-345.16900977,2.00081 |
| 20461,Cs,Cs,-6.274,Ap,18.0,-0.1197,Ap,19.0,-374.75255352,1.0239 |
| 308,Cs,Cs,-6.1445,Ap,16.0,-0.5535,Ap,17.0,-286.38697083,2.59693 |
| 13892,Cs,Cs,-6.8768,Ap,19.0,2.2154,Ap,20.0,-314.22815017,0.14293 |
| 123115,Cs,Cs,-6.9166,App,8.0,0.56,App,9.0,-461.25971453,1.24973 |
| 63,Cs,Cs,-8.5783,Ap,13.0,1.106,Ap,14.0,-211.2390271,3.92479 |
| 130618,C2v,C2v,-7.7052,A1,15.0,-3.5941,B1,4.0,-488.3724261,0.69215 |
| 57310,Cs,Cs,-6.6704,Ap,26.0,-0.4215,App,10.0,-420.33051923,4.56582 |
| 13153,Cs,Cs,-6.4941,App,6.0,-0.5087,App,7.0,-362.50545792,4.32549 |
| 2558,Cs,Cs,-7.1098,Ap,15.0,-0.0558,Ap,16.0,-305.87692307,1.85281 |
| 57309,Cs,Cs,-7.207,Ap,25.0,-0.8784,App,10.0,-438.96795575,6.63399 |
| 11137,C2,C2,-6.9655,B,16.0,2.0816,B,17.0,-386.01074468,1.99115 |
| 100082,Cs,C1,-6.4395,,,-0.207,,,-389.4498,2.50171 |
| 121639,Cs,Cs,-6.4608,Ap,26.0,-0.073,App,10.0,-388.22265774,2.54789 |
| 5893,Cs,Cs,-6.6681,App,10.0,2.1356,Ap,24.0,-351.34942186,1.08163 |
| 59941,Cs,Cs,-6.5637,App,12.0,1.4302,Ap,24.0,-388.16160026,1.47432 |
| 93690,Cs,Cs,-7.5979,App,12.0,2.2209,Ap,25.0,-353.55327769,0.05722 |
| 105545,Cs,Cs,-6.2438,Ap,24.0,1.9434,Ap,25.0,-424.05373001,3.52294 |
| 13926,Cs,Cs,-6.7107,Ap,22.0,0.6681,App,9.0,-399.64953587,4.19487 |
| 53818,Cs,Cs,-6.2388,Ap,27.0,-0.6146,App,8.0,-455.03588838,1.03895 |
| 8499,C2v,C2v,-6.0652,B2,8.0,2.5079,A1,15.0,-347.62492285,1.91183 |
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| 21423,C2v,C2v,-6.4966,B1,3.0,-0.9525,A2,3.0,-406.79467594,1.81997 |
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| 1136,Cs,Cs,-7.2651,Ap,19.0,0.4858,App,9.0,-345.58967271,4.37436 |
| 43916,Cs,Cs,-6.2695,Ap,25.0,-1.0648,App,9.0,-385.80091867,3.80592 |
| 9701,Cs,Cs,-6.4677,Ap,21.0,-0.3547,App,10.0,-347.73026849,2.70386 |
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| 37014,C2v,C2v,-6.9734,A1,13.0,1.4758,A1,14.0,-458.72614501,0.08367 |
| 102408,Cs,Cs,-6.5884,App,13.0,1.9191,Ap,25.0,-426.52331899,0.33111 |
| 53044,Cs,C1,-6.0981,,,1.4697,,,-349.81927309,0.16677 |
| 17901,C2v,C2v,-6.6055,B1,6.0,0.0231,B2,8.0,-345.28556398,2.44836 |
| 5963,Cs,Cs,-8.3383,Ap,22.0,1.3145,App,10.0,-329.08810312,4.10362 |
| 6863,Cs,Cs,-6.7898,Ap,21.0,2.3951,Ap,22.0,-386.06106266,1.64991 |
| 31948,C2,C2,-5.4118,A,18.0,0.8064,B,17.0,-387.03735114,0.129 |
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| 27394,C2v,C2,-6.5413,B,15.0,-0.2056,B,16.0,-485.93416732,8.18062 |
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| 97113,Cs,C1,-6.3869,,,-0.1727,,,-419.11034975,3.62803 |
| 127083,Cs,Cs,-5.5404,App,9.0,0.7791,App,10.0,-435.11224787,4.13448 |
| 8352,Cs,Cs,-7.4456,Ap,22.0,0.1923,App,9.0,-383.58582568,4.19846 |
| 73865,Cs,Cs,-5.8312,Ap,20.0,1.0966,App,15.0,-351.0980076,0.23116 |
| 55618,Cs,Cs,-4.962,Ap,19.0,-1.2672,Ap,20.0,-412.82801236,8.36855 |
| 76351,Cs,Cs,-6.1657,App,10.0,1.0003,Ap,23.0,-348.56303058,1.26043 |
| 0,Td,Td,-10.5005,B2,1.0,3.3055,A,3.0,-40.48175092,0.0 |
| 20532,Cs,Cs,-8.5078,Ap,24.0,-2.7164,App,6.0,-426.68053607,4.04547 |
| 68296,Cs,Cs,-6.4105,Ap,23.0,2.016,Ap,24.0,-402.9433176,1.62758 |
| 8630,Cs,Cs,-6.9857,Ap,19.0,1.0381,Ap,20.0,-310.50723975,0.56502 |
| 41958,C2v,C2v,-5.933,B2,9.0,2.1867,A1,14.0,-460.01797327,1.03918 |
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| 10726,Cs,C1,-6.9849,,,2.4644,,,-314.22587729,0.15297 |
| 26371,Cs,Cs,-5.5761,App,9.0,1.1149,App,10.0,-383.22110334,4.2623 |
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| 63038,C2,C2,-7.2246,A,18.0,2.7297,A,19.0,-351.05110155,0.0436 |
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| 102205,Cs,Cs,-7.52,App,13.0,0.1796,Ap,21.0,-417.87852473,2.86766 |
| 37775,C2v,C2v,-5.9011,A2,2.0,-1.0325,B2,6.0,-384.49621996,1.79283 |
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| 44512,Cs,C1,-6.4874,,,1.5885,,,-433.88620456,2.98635 |
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| 123110,Cs,Cs,-6.5432,Ap,28.0,-0.1565,App,9.0,-425.33939733,1.51305 |
| 42,Cs,Cs,-7.3066,App,5.0,2.8793,Ap,12.0,-157.09266755,0.10717 |
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| 2014,Cs,Cs,-6.6344,App,8.0,2.7562,Ap,20.0,-309.58260207,1.16205 |
| 98193,Cs,Cs,-6.4326,Ap,26.0,1.1315,App,11.0,-441.39467566,1.93243 |
| 19310,C2,C2,-5.9924,A,15.0,1.5213,A,16.0,-310.52713137,0.20196 |
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| 28560,Cs,Cs,-4.9812,App,6.0,-0.9445,App,7.0,-473.67241024,3.91239 |
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| 91004,Cs,Cs,-6.0886,App,11.0,2.0384,Ap,24.0,-386.94324267,2.31299 |
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| 122280,Cs,Cs,-7.6127,Ap,25.0,2.5929,Ap,26.0,-352.26040275,0.24094 |
| 4229,Cs,Cs,-7.4239,App,9.0,2.1002,Ap,21.0,-491.8381247,2.87468 |
| 17651,Cs,Cs,-6.9839,App,10.0,2.385,Ap,22.0,-312.9925354,0.05694 |
| 66384,Cs,Cs,-6.5855,Ap,24.0,-0.5659,App,12.0,-460.02846358,2.98842 |
| 8399,Cs,Cs,-6.1701,App,11.0,2.4372,Ap,21.0,-348.86370597,1.79326 |
| 77499,Cs,Cs,-6.4836,App,11.0,2.0538,Ap,25.0,-388.16190176,1.65518 |
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| 64113,Cs,Cs,-6.84,App,9.0,-1.2515,App,10.0,-401.84701917,3.51864 |
| 59796,Cs,Cs,-6.6029,App,9.0,-0.2142,App,10.0,-420.33365612,1.83686 |
| 55641,Cs,C1,-7.1374,,,1.0906,,,-438.94427456,1.98727 |
| 72651,Cs,Cs,-6.662,Ap,20.0,2.3421,Ap,21.0,-424.1179947,1.36095 |
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| 6621,Cs,C1,-6.0165,,,0.1816,,,-310.54644098,0.05842 |
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| 26142,Cs,Cs,-5.7532,App,9.0,0.2373,App,10.0,-454.99556345,1.03253 |
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| 57508,Cs,Cs,-8.2302,Ap,25.0,-1.6353,App,10.0,-438.98470425,4.75968 |
| 55642,Cs,C1,-7.6085,,,0.5588,,,-455.04202007,2.91351 |
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| 26292,Cs,Cs,-4.9867,App,9.0,1.084,App,10.0,-419.1084896,3.46102 |
| 1611,Cs,Cs,-6.7615,Ap,22.0,-1.9296,App,6.0,-361.61737342,2.69485 |
| 64352,C2,C2,-7.6942,A,19.0,2.001,A,20.0,-353.53896467,0.05009 |
| 98784,Cs,Cs,-6.1501,App,7.0,0.4048,App,8.0,-403.07828114,3.70711 |
| 10783,C4,C4,-7.3338,B,16.0,1.1079,A,17.0,-457.82697939,0.98299 |
| 18989,C2,C2,-6.5342,B,15.0,1.7901,B,16.0,-383.54497179,2.12406 |
| 124587,Cs,Cs,-5.5339,App,9.0,0.8988,App,10.0,-419.0924138,3.62646 |
| 119165,Cs,C1,-6.4369,,,2.4606,,,-388.15683578,1.13378 |
| 8610,Cs,Cs,-8.7673,Ap,18.0,-1.6325,Ap,19.0,-372.31722713,3.49534 |
| 18979,Cs,Cs,-6.6667,Ap,20.0,2.9523,Ap,21.0,-383.56491981,1.5897 |
| 14741,Cs,Cs,-6.5127,App,7.0,1.8056,Ap,25.0,-348.89168562,1.12684 |
| 14388,Cs,Cs,-5.3872,Ap,21.0,2.3052,App,10.0,-311.71731376,0.22554 |
| 123722,C2v,C2v,-6.4537,B1,4.0,0.077,B1,5.0,-396.81563795,0.5293 |
| 100125,Cs,Cs,-6.4723,App,10.0,1.0234,App,11.0,-441.35769422,2.14988 |
| 122837,Cs,Cs,-6.5896,Ap,28.0,-0.1887,App,9.0,-425.34548676,1.53438 |
| 39760,Cs,Cs,-6.7346,App,9.0,2.8093,Ap,25.0,-385.71393429,2.01585 |
| 4232,Cs,Cs,-9.2612,Ap,18.0,2.4752,Ap,19.0,-455.96382965,2.03512 |
| 123097,Cs,Cs,-6.6162,Ap,28.0,-0.2275,App,9.0,-425.34451599,1.72002 |
| 8367,Cs,Cs,-6.0481,Ap,22.0,2.1245,Ap,23.0,-364.8746106,1.95765 |
| 106161,Cs,Cs,-6.0422,App,11.0,2.327,Ap,24.0,-386.93966343,1.06085 |
| 7009,Cs,Cs,-6.3466,Ap,21.0,2.2663,Ap,22.0,-350.13730027,1.7025 |
| 123098,Cs,C1,-6.6216,,,0.9846,,,-441.40014493,2.63075 |
| 38799,C2,C2,-6.095,B,16.0,2.3163,A,18.0,-385.72350031,1.45719 |
| 2118,C2v,C2v,-7.6008,A2,2.0,-1.0934,B1,4.0,-376.43453802,4.16153 |
| 8564,C2v,C2v,-6.2857,B2,8.0,-0.3139,B1,7.0,-347.73282398,2.87443 |
| 18800,C2,C2,-6.072,B,14.0,0.1175,A,16.0,-342.61706548,1.69976 |
| 43100,C2,C2,-6.1196,B,15.0,-0.3988,B,16.0,-457.58148826,3.24135 |
| 63809,Cs,Cs,-6.2587,Ap,23.0,1.9041,Ap,24.0,-422.83589934,1.79568 |
| 102672,Cs,Cs,-6.6142,App,12.0,1.0434,Ap,24.0,-388.15724782,1.2552 |
| 24711,C2v,Cs,-6.6906,Ap,19.0,-1.486,Ap,20.0,-416.69919023,1.22289 |
| 33722,Cs,Cs,-7.7347,Ap,20.0,-0.6816,Ap,21.0,-395.51762297,2.02795 |
| 17663,Cs,Cs,-6.7322,Ap,21.0,1.7697,Ap,22.0,-384.78129343,0.83717 |
| 310,C2v,C2v,-7.6176,B1,7.0,2.5873,A1,11.0,-235.66816866,0.13515 |
| 125060,Cs,Cs,-6.2818,App,8.0,0.1562,App,9.0,-414.01810768,3.13836 |
| 27873,Cs,Cs,-6.3633,Ap,27.0,-0.6471,App,7.0,-382.04043433,1.87195 |
| 30426,Cs,Cs,-5.4052,App,7.0,0.8908,App,8.0,-438.97050756,3.86562 |
| 8797,C2h,C2h,-6.3928,Ag,13.0,-2.0948,Au,4.0,-384.87004318,0.0 |
| 124484,Cs,C1,-5.9773,,,0.8769,,,-383.20660028,2.66205 |
| 11090,Cs,Cs,-8.6999,Ap,21.0,0.0296,App,8.0,-341.47770348,1.97835 |
| 71987,Cs,Cs,-5.9589,App,13.0,2.3884,Ap,22.0,-351.04974192,0.48899 |
| 5934,Cs,C1,-6.4069,,,1.9519,,,-312.9990697,0.14897 |
| 5985,Cs,Cs,-6.7206,App,10.0,2.2405,Ap,24.0,-351.35022607,1.05727 |
| 118,Cs,Cs,-6.435,App,4.0,1.8352,Ap,16.0,-195.14972593,0.07722 |
| 3523,Cs,Cs,-6.8302,App,7.0,2.9148,Ap,20.0,-308.34375729,1.86085 |
| 58341,Cs,C1,-6.6445,,,-0.2256,,,-420.32834811,1.41478 |
| 26270,Cs,Cs,-6.5154,Ap,25.0,-1.1033,App,9.0,-382.0145601,0.68029 |
| 53798,Cs,Cs,-6.3535,Ap,26.0,-1.5871,App,9.0,-438.97823785,1.01238 |
| 65923,Cs,Cs,-6.7232,App,11.0,1.9715,Ap,25.0,-388.18033377,1.50733 |
| 6777,Cs,C1,-6.6271,,,0.9812,,,-402.11636944,2.58671 |
| 72393,Cs,Cs,-6.1839,Ap,20.0,0.8113,App,15.0,-351.10644393,0.18677 |
| 36027,C2,C2,-8.5207,B,15.0,0.554,A,18.0,-380.75788013,4.4547 |
| 133,Cs,Cs,-7.0004,App,5.0,2.2914,Ap,17.0,-233.50306901,1.50458 |
| 57238,Cs,Cs,-7.0325,Ap,24.0,-1.5735,App,9.0,-384.48866094,3.10352 |
| 43501,Cs,Cs,-7.0483,App,13.0,-1.159,Ap,21.0,-473.73225395,2.05551 |
| 56137,Cs,Cs,-6.486,Ap,26.0,-0.0985,App,11.0,-389.45288107,2.57419 |
| 31621,Cs,Cs,-5.1076,App,7.0,1.5419,App,8.0,-419.11902258,2.12346 |
| 5796,Cs,C1,-6.4634,,,-0.2162,,,-350.16938508,2.48395 |
| 12144,D2h,C2v,-6.8012,A1,12.0,2.5174,A1,13.0,-311.7568766,0.00246 |
| 62927,Cs,Cs,-6.2901,Ap,24.0,2.3536,Ap,25.0,-424.09652809,1.52929 |
| 128736,C2v,C2v,-6.719,B1,4.0,-0.5434,B1,5.0,-490.83292378,2.69079 |
| 128433,Cs,C1,-7.1255,,,-0.8346,,,-449.96394169,4.65695 |
| 124495,Cs,C1,-5.9766,,,-0.3056,,,-435.1113915,4.89965 |
| 67623,C2,C2,-5.8893,B,16.0,2.1407,A,18.0,-421.61116735,2.49592 |
| 124618,Cs,Cs,-6.5074,App,9.0,-0.9888,App,10.0,-451.13165517,2.37773 |
| 18939,D2,D2,-6.2989,B3,7.0,2.8229,A,10.0,-383.60569834,0.0 |
| 23837,C2v,C2v,-7.0354,B1,11.0,-1.9428,A2,3.0,-462.53472103,4.39214 |
| 5882,Cs,Cs,-6.4056,App,9.0,1.8348,Ap,23.0,-313.00172868,0.13013 |
| 7082,Cs,Cs,-6.5347,Ap,18.0,-1.056,Ap,19.0,-400.86301091,0.29872 |
| 64110,Cs,Cs,-6.5936,App,9.0,-0.6412,App,10.0,-401.80222518,1.22568 |
| 5890,Cs,Cs,-6.5207,App,10.0,2.3424,Ap,24.0,-351.36005655,0.99005 |
| 124841,Cs,Cs,-6.6419,App,9.0,0.51,App,10.0,-397.97599742,5.46611 |
| 47885,C2,C2,-6.3114,A,18.0,-0.3048,B,17.0,-455.04872264,6.77898 |
| 122819,Cs,Cs,-7.197,Ap,28.0,0.6111,App,9.0,-425.37230958,1.52555 |
| 2013,Cs,Cs,-5.9605,Ap,19.0,2.263,Ap,20.0,-289.70366278,2.10129 |
| 36973,C2,C2,-7.0246,B,17.0,2.159,A,19.0,-459.94622746,3.10045 |
| 6748,Cs,Cs,-6.7585,Ap,24.0,-1.0817,App,7.0,-347.70251115,3.57205 |
| 62883,Cs,Cs,-6.162,Ap,25.0,2.4735,Ap,26.0,-386.89426091,1.92671 |
| 98242,Cs,Cs,-6.6494,App,7.0,-0.0864,App,8.0,-456.27576918,2.10879 |
| 37846,D2d,C2v,-7.1837,A2,4.0,2.5162,A1,14.0,-349.85721729,0.19763 |
| 123549,C2v,C2v,-6.2427,B2,6.0,0.2995,B2,7.0,-396.74699978,1.40359 |
| 85969,Cs,Cs,-6.7438,App,11.0,2.2269,Ap,25.0,-388.17104003,1.60074 |
| 59131,Cs,Cs,-5.5822,Ap,23.0,2.3642,Ap,24.0,-367.02945937,1.08965 |
| 63451,Cs,Cs,-8.6824,Ap,19.0,-1.1914,Ap,20.0,-416.64677044,4.70683 |
| 37856,C2v,C2v,-6.3171,A1,13.0,0.9016,A1,14.0,-457.53914282,1.69568 |
| 99032,Cs,Cs,-6.6281,App,10.0,1.808,App,11.0,-441.42185922,2.18923 |
| 3197,C2v,C2v,-7.6495,A2,4.0,2.2524,A1,11.0,-273.76652475,0.05958 |
| 1185,Cs,Cs,-6.7687,Ap,20.0,-0.5884,App,9.0,-346.76090041,2.80548 |
| 57506,Cs,Cs,-7.7351,App,9.0,-1.2447,App,10.0,-419.09664163,3.27436 |
| 34669,C3v,C3v,-6.5161,Ap,19.0,0.5113,App,12.0,-346.08307558,0.62027 |
| 68049,C2v,C2v,-6.5453,A2,3.0,1.9389,A1,16.0,-422.81190133,2.62116 |
| 129483,Cs,Cs,-7.6675,Ap,23.0,-1.1692,Ap,24.0,-482.01493717,7.98342 |
| 8808,C2h,C2h,-6.5588,Ag,13.0,-2.2683,Au,4.0,-456.63067929,0.0 |
| 5984,Cs,Cs,-6.9688,App,10.0,2.1027,Ap,24.0,-351.34877025,1.43517 |
| 7143,Cs,Cs,-6.8891,App,7.0,1.1607,App,8.0,-402.08459451,2.23066 |
| 77413,Cs,Cs,-5.2032,Ap,22.0,2.5077,Ap,23.0,-351.01118054,0.28979 |
| 40159,C2,C1,-5.6242,,,2.3755,,,-386.9656387,1.44516 |
| 57708,Cs,C1,-7.4334,,,0.3139,,,-419.08786927,1.98857 |
| 43707,Cs,Cs,-6.6184,Ap,25.0,1.1411,App,9.0,-401.78889044,3.8984 |
| 74771,C2,C2,-5.4674,B,16.0,0.3961,B,17.0,-349.87238818,0.22822 |
| 124455,Cs,Cs,-6.8017,App,9.0,0.3155,App,10.0,-399.22544652,4.60506 |
| 63263,Cs,Cs,-6.818,App,12.0,1.1248,App,13.0,-404.26596273,2.84891 |
| 357,C2v,C2v,-6.487,B2,8.0,-0.0772,B1,4.0,-271.60423081,2.5378 |
| 57382,Cs,Cs,-5.9136,Ap,23.0,1.692,Ap,24.0,-404.1668225,3.15925 |
| 65925,Cs,Cs,-6.24,Ap,24.0,1.7695,Ap,25.0,-424.06945147,3.62586 |
| 56146,Cs,C1,-7.1354,,,1.6586,,,-441.42542155,2.4848 |
| 14483,C2,C2,-5.687,B,14.0,2.6418,B,15.0,-310.47984653,0.15213 |
| 17262,Cs,Cs,-6.075,Ap,20.0,2.5693,Ap,21.0,-327.75039686,1.9702 |
| 6085,C2,C2,-6.9116,A,16.0,0.9077,B,16.0,-384.78153169,1.37956 |
| 31992,C2,C2,-5.0713,A,18.0,1.0928,B,17.0,-438.95210998,1.43631 |
| 26461,Cs,Cs,-5.1285,App,9.0,1.738,App,10.0,-365.92468437,2.39527 |
| 718,D3h,D3h,-5.9818,A2,3.0,2.5213,B1,5.0,-231.89688657,0.00018 |
| 9369,Cs,C1,-6.4495,,,1.1178,,,-366.19425618,0.76783 |
| 5962,Cs,Cs,-6.8599,Ap,22.0,1.856,App,10.0,-312.98703512,0.67523 |
| 3700,C2v,C2v,-6.629,B2,3.0,0.3142,B2,4.0,-320.67355011,0.61104 |
| 59034,Cs,Cs,-7.1504,Ap,25.0,-0.9326,App,10.0,-422.9564054,4.36737 |
| 99,Cs,Cs,-7.0525,Ap,12.0,2.681,Ap,13.0,-196.37734344,0.09371 |
| 70854,C2v,C2v,-6.048,B2,6.0,2.5321,B2,7.0,-385.72773689,1.05656 |
| 1302,Cs,Cs,-6.9878,App,8.0,0.998,App,9.0,-325.68963311,2.49246 |
| 36954,D2,C2,-6.7611,B,17.0,1.6603,A,19.0,-459.95258829,1.15144 |
| 20537,Cs,Cs,-6.2223,App,8.0,0.8628,App,9.0,-343.91628655,2.29168 |
| 106598,D2,C2,-6.4914,B,17.0,2.6354,A,19.0,-424.04263912,1.13386 |
| 2120,Cs,Cs,-6.226,Ap,15.0,-2.3065,Ap,16.0,-344.37203986,4.53143 |
| 41729,D2,C2,-6.475,A,18.0,2.425,A,19.0,-422.91100581,0.74265 |
| 6592,Cs,Cs,-6.3204,App,8.0,0.6471,Ap,22.0,-346.39119155,2.0105 |
| 486,C2h,C2h,-6.9946,Ag,9.0,1.2186,Bu,9.0,-231.94378481,0.0 |
| 62466,C2v,C2v,-6.6244,B2,10.0,-2.4707,A2,3.0,-421.73993666,1.31715 |
| 56143,Cs,Cs,-7.24,Ap,26.0,0.5233,App,11.0,-461.2723334,3.3699 |
| 75203,Cs,Cs,-5.8772,App,9.0,1.0141,App,10.0,-351.09685171,0.1551 |
| 72406,Cs,Cs,-6.4729,App,12.0,2.2593,Ap,24.0,-424.13794897,2.45791 |
| 42382,Cs,Cs,-7.6562,App,5.0,-2.4442,App,6.0,-427.6682543,1.27677 |
| 10237,Cs,Cs,-8.0048,Ap,19.0,-1.8218,App,10.0,-377.39368667,1.91432 |
| 121812,Cs,Cs,-7.0718,App,10.0,1.2288,Ap,26.0,-404.25488393,4.85884 |
| 4484,Cs,Cs,-5.2804,App,6.0,0.9534,App,7.0,-347.75814028,0.40356 |
| 117624,Cs,Cs,-6.3913,App,10.0,1.6157,Ap,26.0,-388.17182637,0.9504 |
| 43093,C2,C2,-6.0944,B,15.0,0.111,B,16.0,-385.79554817,3.05651 |
| 41398,C2,C2,-6.9168,B,16.0,2.3936,A,19.0,-351.07899902,0.01941 |
| 15,D3h,D3h,-7.7387,B1,3.0,2.9625,A1,7.0,-117.80571746,1e-05 |
| 122816,Cs,Cs,-6.4544,Ap,28.0,-0.0657,App,9.0,-389.45567017,2.43639 |
| 74264,Cs,Cs,-7.0978,Ap,25.0,-0.3627,App,10.0,-439.01481047,2.16445 |
| 47973,Cs,C1,-6.7899,,,-1.816,,,-400.49234701,2.25525 |
| 2500,Cs,Cs,-7.5306,Ap,22.0,-1.5813,App,5.0,-396.33357195,3.22144 |
| 8353,Cs,Cs,-7.0041,Ap,22.0,0.1239,App,9.0,-399.59829043,2.4221 |
| 10837,Cs,Cs,-7.4857,App,11.0,1.191,Ap,21.0,-420.7872548,6.11561 |
| 542,C2h,C2h,-8.1821,Ag,10.0,2.6157,Ag,11.0,-236.89949681,0.0 |
| 68295,Cs,Cs,-6.4009,Ap,23.0,2.0353,Ap,24.0,-422.81471102,3.3966 |
| 27918,Cs,Cs,-7.666,Ap,27.0,-0.4437,App,7.0,-505.81748811,2.93738 |
| 23923,Cs,Cs,-8.5699,Ap,21.0,2.3042,Ap,22.0,-494.01213209,2.18153 |
| 8521,C2v,C2v,-7.5626,A1,14.0,2.5996,A1,15.0,-311.72860608,0.09977 |
| 117489,Cs,Cs,-6.3272,Ap,26.0,1.1465,App,11.0,-405.4773184,0.62688 |
| 2523,Cs,Cs,-6.7913,App,10.0,-0.8754,App,11.0,-361.63072664,5.82448 |
| 100409,Cs,Cs,-6.3731,App,9.0,0.9205,App,10.0,-404.24463839,0.67294 |
| 2687,Cs,C1,-6.4749,,,1.2877,,,-309.6013688,0.88147 |
| 5895,Cs,Cs,-6.5932,Ap,21.0,1.2191,Ap,22.0,-310.5193586,0.71732 |
| 34070,C3v,C3v,-7.6542,App,10.0,1.2081,Ap,23.0,-364.73133202,4.38032 |
| 10132,Cs,Cs,-7.4285,App,6.0,-1.1572,App,7.0,-379.80732613,3.29339 |
| 18097,C2h,C2h,-5.1816,Bg,3.0,0.186,Au,4.0,-310.61839434,0.0 |
| 33439,Cs,Cs,-7.846,Ap,24.0,-0.7402,App,8.0,-415.36862471,4.34157 |
| 86291,Cs,Cs,-6.5259,Ap,24.0,-0.4341,App,12.0,-388.21494117,2.787 |
| 29559,Cs,Cs,-4.6127,Ap,20.0,-0.0785,Ap,21.0,-433.96040346,5.64443 |
| 20143,C2v,C2v,-5.9014,B2,8.0,-0.2001,B1,6.0,-345.24334332,3.47493 |
| 12608,Cs,Cs,-6.9421,Ap,24.0,-0.3629,App,7.0,-399.75339173,1.48422 |
| 117723,Cs,Cs,-6.746,App,11.0,2.1763,Ap,27.0,-426.52112897,0.42376 |
| 41945,C2v,C2v,-7.4627,B1,8.0,2.0159,A1,14.0,-352.34626687,0.0068 |
| 17689,Cs,Cs,-6.0928,Ap,20.0,2.6249,Ap,21.0,-327.76197263,1.17412 |
| 58969,Cs,Cs,-5.8616,App,10.0,0.8716,App,11.0,-388.21939267,2.09251 |
| 59375,Cs,Cs,-6.2302,Ap,23.0,0.7753,App,12.0,-383.16746865,3.65266 |
| 86542,Cs,Cs,-6.8269,App,11.0,2.4036,Ap,25.0,-352.27980437,0.11792 |
| 28548,Cs,Cs,-5.6234,App,6.0,-0.7435,App,7.0,-401.88642796,2.31327 |
| 24348,C2,C2,-4.5623,A,18.0,1.5436,B,16.0,-398.01831233,0.67148 |
| 27533,Cs,Cs,-5.483,App,8.0,1.0447,App,9.0,-398.01316211,3.07864 |
| 8807,C2h,C2h,-7.1811,Ag,13.0,-1.4315,Au,4.0,-456.69119075,0.0 |
| 4041,C2v,C2v,-5.8738,B2,4.0,-1.5863,A2,3.0,-453.70013336,0.35367 |
| 705,C2,C2,-7.0798,A,12.0,2.1172,B,12.0,-306.20917507,2.04996 |
| 20118,C2,C2,-6.6363,B,14.0,0.6792,B,15.0,-379.76735055,2.80943 |
| 5802,Cs,C1,-6.9613,,,1.6866,,,-402.14545883,2.29696 |
| 57320,Cs,Cs,-7.3698,Ap,26.0,-0.5329,App,10.0,-476.08511499,1.50826 |
| 49347,Cs,Cs,-7.2275,Ap,27.0,-1.328,App,7.0,-473.73103072,4.46598 |
| 59850,Cs,C1,-6.3329,,,-0.3089,,,-436.38934012,1.39702 |
| 7633,Cs,Cs,-6.1215,Ap,20.0,-0.5218,Ap,21.0,-364.95968546,2.68529 |
| 9859,Cs,Cs,-6.0759,App,7.0,-0.1243,Ap,22.0,-309.29803876,1.43755 |
| 77398,Cs,Cs,-5.922,App,11.0,1.3621,Ap,24.0,-458.68832096,4.35195 |
| 67624,C2,C2,-5.773,B,16.0,1.9443,A,18.0,-457.49631589,1.19847 |
| 43390,C2,C2,-6.5063,A,17.0,-2.3038,B,16.0,-420.49615676,6.46938 |
| 2203,Cs,Cs,-7.4596,App,10.0,2.3016,Ap,19.0,-274.95014376,0.12552 |
| 20484,Cs,Cs,-6.1226,Ap,18.0,-0.2597,Ap,19.0,-430.49900228,1.5056 |
| 72126,C2,C2,-6.7439,A,18.0,2.555,A,19.0,-351.06654195,0.19305 |
| 32570,Cs,Cs,-4.8626,App,13.0,1.425,Ap,22.0,-367.1762735,2.06994 |
| 52619,Cs,C1,-6.9342,,,0.7754,,,-365.90840786,4.27545 |
| 29566,C2v,C2v,-5.0777,B2,4.0,-0.205,B2,5.0,-473.65957034,8.38171 |
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| 54133,Cs,Cs,-6.5082,App,9.0,-0.3333,Ap,26.0,-438.98283405,5.14852 |
| 30636,Cs,Cs,-5.8908,App,6.0,-0.2801,App,7.0,-437.79548107,1.94262 |
| 8552,Cs,Cs,-6.2154,Ap,18.0,2.6831,Ap,19.0,-327.80257173,1.70027 |
| 76375,Cs,C1,-6.4214,,,1.1325,,,-404.27870394,3.39918 |
| 76208,Cs,Cs,-7.1737,App,14.0,2.095,Ap,23.0,-353.52007835,0.07183 |
| 20528,Cs,Cs,-7.2735,Ap,24.0,-1.6209,App,6.0,-394.66547847,4.68543 |
| 99020,Cs,Cs,-7.0993,App,10.0,0.2416,App,11.0,-461.27122876,3.42461 |
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| 2528,Cs,Cs,-8.4531,App,10.0,1.0734,Ap,18.0,-289.80741715,3.83551 |
| 65038,Cs,Cs,-6.2533,Ap,24.0,1.8253,Ap,25.0,-424.05867338,3.45315 |
| 122827,Cs,Cs,-6.5062,Ap,28.0,0.5424,App,9.0,-441.40353041,2.15075 |
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| 99423,Cs,Cs,-9.2476,App,10.0,-1.9839,Ap,22.0,-431.45440213,3.48599 |
| 3896,C2v,C2v,-7.2654,B2,8.0,-2.7042,B1,4.0,-375.14358701,0.32595 |
| 36821,Cs,Cs,-6.9771,Ap,18.0,0.6715,Ap,19.0,-398.01776947,3.32057 |
| 10078,Cs,C1,-7.3909,,,0.4253,,,-386.07910267,4.09572 |
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| 116847,Cs,Cs,-6.7503,Ap,27.0,-1.041,App,8.0,-386.98759727,3.73507 |
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| 2655,Cs,Cs,-6.0221,App,5.0,0.1594,Ap,21.0,-271.26203834,0.11278 |
| 57617,Cs,C2v,-8.8893,B1,10.0,0.1299,A1,15.0,-381.9953962,2.95658 |
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| 2540,Cs,Cs,-7.5164,App,10.0,0.4756,App,11.0,-361.58401047,2.20688 |
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| 6120,Cs,Cs,-6.3589,App,9.0,1.2506,App,10.0,-365.0023687,3.9445 |
| 1152,C2v,C2v,-6.9867,B1,7.0,1.0489,A1,12.0,-271.22306782,0.604 |
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| 5845,Cs,Cs,-7.0992,Ap,23.0,0.5606,App,10.0,-421.97716849,3.10437 |
| 21962,Cs,Cs,-6.6769,App,10.0,0.5338,Ap,21.0,-395.83987368,5.7683 |
| 545,Cs,Cs,-6.6449,App,6.0,2.6465,Ap,20.0,-272.7895124,0.94331 |
| 53677,C2v,C2v,-6.5092,B2,4.0,0.8035,A1,15.0,-385.69675696,0.56376 |
| 26180,Cs,Cs,-5.5098,App,9.0,1.2451,App,10.0,-383.22818964,3.10189 |
| 34672,C3v,C3v,-8.919,App,11.0,-1.1104,App,12.0,-394.36463718,7.69212 |
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| 10168,Cs,Cs,-6.4202,Ap,25.0,1.0663,App,8.0,-366.18274791,2.72701 |
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| 124497,Cs,Cs,-5.9251,App,9.0,0.1433,App,10.0,-435.12724071,3.38156 |
| 120855,Cs,Cs,-6.6524,App,16.0,2.4447,Ap,21.0,-425.28000635,1.98083 |
| 78687,Cs,Cs,-5.9602,Ap,23.0,2.3513,Ap,24.0,-367.0370277,1.64798 |
| 99196,Cs,Cs,-6.3495,Ap,27.0,-0.2076,App,8.0,-386.9902731,2.623 |
| 663,C2,C2,-6.6687,A,12.0,1.7284,B,12.0,-306.21248011,1.35168 |
| 48568,Cs,Cs,-6.797,Ap,24.0,-0.8154,App,9.0,-384.47847242,2.41618 |
| 12121,C2,C2,-5.314,B,15.0,2.7434,B,16.0,-311.73602259,0.39439 |
| 26140,Cs,Cs,-5.3631,App,9.0,0.7661,App,10.0,-438.94325974,1.5339 |
| 59203,Cs,Cs,-5.8193,Ap,24.0,2.1234,Ap,25.0,-404.16087112,2.06279 |
| 17795,C2,C2,-6.2884,A,16.0,2.442,B,16.0,-384.79045719,1.07615 |
| 102530,Cs,Cs,-6.3738,App,12.0,1.0597,App,13.0,-405.49758248,3.92916 |
| 26224,Cs,Cs,-5.8104,App,9.0,0.8117,App,10.0,-438.98459963,0.7914 |
| 124862,Cs,Cs,-7.2309,App,8.0,-1.0688,App,9.0,-417.81687561,3.9551 |
| 2081,Cs,Cs,-6.5131,App,10.0,-0.8708,Ap,18.0,-381.46043955,2.02 |
| 26267,Cs,C1,-6.6448,,,-0.9191,,,-382.01903137,2.84769 |
| 1188,Cs,C2v,-8.0213,B2,8.0,2.1643,A1,13.0,-276.17815534,0.04621 |
| 100305,Cs,C1,-6.3222,,,2.0762,,,-441.31136123,1.83845 |
| 57615,C2v,C2v,-6.9648,B1,10.0,1.0764,A1,15.0,-349.79656007,0.2735 |
| 5942,Cs,Cs,-8.4089,Ap,22.0,0.9814,Ap,23.0,-329.08883709,4.02058 |
| 43705,Cs,Cs,-6.4333,Ap,25.0,-0.6257,App,9.0,-421.60914884,2.47184 |
| 38690,C2v,C2v,-6.2867,B1,8.0,2.2755,A1,14.0,-387.02678891,1.44566 |
| 1189,Cs,Cs,-7.0417,App,9.0,2.0371,Ap,21.0,-312.06932986,1.46548 |
| 7144,Cs,Cs,-6.7942,App,7.0,1.8205,App,8.0,-402.102032,1.53024 |
| 121840,Cs,Cs,-6.5497,App,11.0,2.0432,Ap,27.0,-426.53201937,0.49571 |
| 117640,Cs,Cs,-6.4181,Ap,26.0,-0.1723,App,11.0,-425.34549261,2.71871 |
| 26090,Cs,Cs,-6.3483,App,9.0,0.3544,App,10.0,-403.07889231,1.31488 |
| 106600,D2,C2,-6.9821,B,17.0,2.1178,B,18.0,-424.03984776,0.95999 |
| 10778,C2v,C2v,-7.2469,B2,8.0,2.0243,A1,14.0,-314.23106206,0.11665 |
| 67290,Cs,Cs,-6.1355,Ap,23.0,2.5691,Ap,24.0,-365.79852414,1.97433 |
| 59285,Cs,Cs,-5.5238,App,9.0,0.1497,App,10.0,-403.08716158,3.10729 |
| 52469,C3,C3,-6.003,A,33.0,0.2177,A,34.0,-349.83047503,0.03565 |
| 14566,C2,C2,-7.9431,A,14.0,-0.0743,A,15.0,-340.22930689,1.55433 |
| 62632,Cs,Cs,-6.2324,Ap,21.0,2.4785,Ap,22.0,-367.13346772,1.56561 |
| 58738,Cs,Cs,-6.0687,App,12.0,2.4952,Ap,24.0,-388.15859589,1.68391 |
| 76799,Cs,Cs,-5.356,Ap,23.0,1.9265,Ap,24.0,-404.19905704,2.56652 |
| 26699,C2,C2,-4.894,A,18.0,1.2641,B,17.0,-458.82651854,0.94087 |
| 123317,Cs,C2v,-6.5348,B1,3.0,-0.7312,B1,4.0,-394.28336765,0.02185 |
| 117487,Cs,C1,-6.2942,,,-1.4463,,,-440.17536734,2.1731 |
| 63523,Cs,Cs,-6.5472,App,12.0,-0.6629,Ap,23.0,-422.89231528,2.70201 |
| 127073,Cs,C1,-6.04,,,-0.0325,,,-419.06179888,3.23557 |
| 17958,Cs,Cs,-6.3729,Ap,18.0,-0.1402,Ap,19.0,-347.68826614,1.41912 |
| 1081,C3v,C3,-6.4333,A,27.0,1.983,A,28.0,-273.7181146,0.16642 |
| 59895,Cs,Cs,-6.5141,Ap,25.0,1.0095,App,10.0,-403.03625881,3.19958 |
| 117712,C2v,C2v,-6.9627,A2,4.0,2.0352,A1,16.0,-426.51932785,2.84172 |
| 188,C2v,C2v,-6.8256,B1,3.0,0.1534,A2,2.0,-340.99715253,4.56173 |
| 6943,Cs,Cs,-6.1822,App,8.0,0.1102,App,9.0,-359.9636848,3.32817 |
| 78395,Cs,Cs,-5.2068,Ap,24.0,2.0378,App,11.0,-367.02505097,1.3692 |
| 63391,Cs,Cs,-7.0124,App,9.0,-0.8729,App,10.0,-424.11346999,2.51525 |
| 319,Cs,Cs,-6.5278,Ap,16.0,1.957,Ap,17.0,-286.31763255,1.88016 |
| 58990,Cs,Cs,-5.6707,App,11.0,0.7934,App,12.0,-351.05871178,0.20837 |
| 11079,C2v,C2,-6.7264,A,16.0,2.3347,A,17.0,-313.00359807,0.11965 |
| 30061,Cs,Cs,-5.5817,App,8.0,1.082,App,9.0,-398.00781811,2.20421 |
| 66794,C3v,C3v,-5.4952,Ap,22.0,1.4323,Ap,23.0,-364.56870666,2.10561 |
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| 31947,Cs,Cs,-4.9494,App,15.0,1.3871,Ap,20.0,-367.17706238,1.80613 |
| 39718,C2v,C2v,-5.8201,B1,6.0,0.3673,A2,3.0,-348.56999041,0.00812 |
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| 99928,Cs,Cs,-6.4252,App,9.0,-0.1518,Ap,25.0,-385.70472998,1.51122 |
| 99016,C2v,C2v,-6.6044,B1,13.0,-0.4308,A2,4.0,-511.97882467,8.60403 |
| 101958,Cs,Cs,-6.8455,Ap,22.0,-0.9588,App,11.0,-384.47956777,1.9701 |
| 8235,Cs,Cs,-6.4983,Ap,22.0,0.8699,App,10.0,-364.96635202,2.14979 |
| 2440,Cs,Cs,-7.3609,App,9.0,2.3436,Ap,19.0,-273.74100534,0.07708 |
| 1089,Cs,Cs,-7.1922,Ap,20.0,0.4504,App,9.0,-346.79450455,4.4083 |
| 472,C3v,C3v,-6.8848,Ap,15.0,2.4101,Ap,16.0,-235.66019318,0.00277 |
| 26272,Cs,Cs,-7.1884,Ap,25.0,-1.2461,App,9.0,-398.06579132,0.85946 |
| 68007,Cs,Cs,-6.1772,Ap,25.0,0.0229,App,10.0,-387.01561191,2.99392 |
| 66345,Cs,Cs,-8.1322,App,11.0,1.281,Ap,24.0,-367.178005,3.83829 |
| 2725,Cs,Cs,-6.6873,App,7.0,2.2057,Ap,23.0,-347.95963638,2.44406 |
| 104814,Cs,Cs,-7.1541,Ap,23.0,0.4577,App,13.0,-424.14626342,4.04664 |
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| 8607,Cs,Cs,-6.8249,Ap,18.0,0.2513,Ap,19.0,-324.04122947,1.31749 |
| 40965,Cs,Cs,-6.442,App,12.0,2.0596,Ap,24.0,-388.21119677,2.19806 |
| 49317,Cs,Cs,-6.4491,App,5.0,-2.0356,App,6.0,-412.84971687,4.43897 |
| 109420,Cs,Cs,-7.2413,App,12.0,-2.4543,App,13.0,-437.80838331,1.02884 |
| 19741,D2d,D2d,-5.8417,B2,7.0,-0.4308,B1,7.0,-309.31852721,0.0 |
| 41041,Cs,Cs,-5.8065,App,13.0,1.7743,App,14.0,-420.3008048,0.86826 |
| 105508,Cs,Cs,-6.9725,App,12.0,2.1463,Ap,25.0,-389.40201611,1.53848 |
| 38076,C2,C2,-6.2351,B,15.0,-0.0117,B,16.0,-384.55062201,1.32829 |
| 59193,Cs,Cs,-7.667,App,11.0,2.6092,Ap,25.0,-352.2522788,0.06442 |
| 6452,Cs,Cs,-6.5675,Ap,23.0,-0.3323,App,9.0,-348.93010556,2.88942 |
| 20530,Cs,Cs,-7.6349,Ap,24.0,-1.5364,App,6.0,-394.65629779,3.16312 |
| 28581,Cs,Cs,-5.9545,App,8.0,0.2998,App,9.0,-417.86983481,2.80056 |
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| 74394,Cs,Cs,-5.8963,App,9.0,0.8846,App,10.0,-351.09611998,0.25174 |
| 102367,Cs,Cs,-6.6668,App,12.0,-1.2096,Ap,24.0,-460.01736481,2.7361 |
| 124440,Cs,Cs,-6.1826,App,9.0,0.8025,App,10.0,-383.19869883,2.23732 |
| 78516,Cs,Cs,-5.8986,App,9.0,2.6467,Ap,26.0,-386.91586774,1.76276 |
| 98389,Cs,Cs,-7.0702,Ap,28.0,-1.1044,App,7.0,-510.82132417,5.47095 |
| 57225,Cs,Cs,-6.9471,App,8.0,-0.7693,Ap,24.0,-363.43096081,3.79131 |
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| 10266,Cs,Cs,-6.8236,App,13.0,-1.4693,Ap,19.0,-384.84427891,3.44337 |
| 14799,C2h,C2h,-6.7112,Au,4.0,2.5664,Ag,14.0,-387.23627352,0.0 |
| 1301,Cs,Cs,-6.4906,Ap,19.0,1.2203,App,9.0,-325.71368253,3.53879 |
| 63338,Cs,Cs,-6.9359,Ap,25.0,-1.2217,App,10.0,-458.87781818,2.12848 |
| 124525,Cs,C1,-7.0221,,,-0.3414,,,-455.00180323,3.48708 |
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| 8391,Cs,Cs,-6.3476,Ap,22.0,-0.3236,App,9.0,-347.67722486,2.77518 |
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| 1933,Cs,Cs,-6.351,Ap,16.0,2.7239,Ap,17.0,-309.61957264,1.9473 |
| 55620,Cs,Cs,-5.169,Ap,22.0,-0.6572,App,11.0,-448.7185061,12.41945 |
| 37861,Cs,Cs,-4.7003,Ap,21.0,1.6066,Ap,22.0,-417.79724591,1.28675 |
| 17709,C2,C2,-5.5923,A,16.0,2.173,B,15.0,-343.75482641,1.298 |
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| 20491,C2v,C2v,-6.6482,B1,4.0,-0.3408,B1,5.0,-394.61550038,1.13871 |
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| 24106,Cs,Cs,-5.4709,App,10.0,1.0176,Ap,23.0,-364.68781712,1.38277 |
| 18802,C2,C2,-6.4852,B,14.0,-0.2238,A,16.0,-382.34241684,0.16329 |
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| 8562,Cs,Cs,-6.4975,App,8.0,1.4463,App,9.0,-399.65636708,4.83232 |
| 57321,Cs,Cs,-6.9549,Ap,20.0,1.0384,Ap,21.0,-349.79105978,0.50866 |
| 41491,C2,C2,-5.8547,B,16.0,0.8741,A,19.0,-387.02244689,2.18027 |
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| 5673,C2v,C2v,-5.6245,B2,3.0,0.5269,A2,3.0,-381.2045445,1.38497 |
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| 2101,Cs,Cs,-7.7481,App,10.0,2.4797,Ap,19.0,-274.98664288,0.07895 |
| 85379,Cs,Cs,-6.5772,App,13.0,-0.8743,Ap,22.0,-422.95741095,3.75581 |
| 36966,C2,C2,-6.1406,A,18.0,2.5663,A,19.0,-384.31524365,1.30149 |
| 133619,Cs,Cs,-8.7098,Ap,24.0,1.9625,Ap,25.0,-534.5276834,2.00746 |
| 10830,Cs,Cs,-6.2754,App,11.0,1.7201,Ap,21.0,-381.0707669,4.36696 |
| 1186,Cs,C2v,-6.9612,A2,3.0,1.9118,A1,13.0,-347.95872353,2.83024 |
| 41373,Cs,Cs,-6.5515,Ap,20.0,2.329,Ap,21.0,-386.96254694,1.60505 |
| 483,D*h,C2v,-6.5763,B1,2.0,-1.3988,B2,8.0,-229.49423739,0.01489 |
| 7011,C2,C2,-6.7816,B,13.0,-0.5233,B,14.0,-345.20568229,2.76516 |
| 117041,Cs,Cs,-6.3742,Ap,28.0,-2.0842,App,8.0,-424.15378029,0.07849 |
| 106337,Cs,Cs,-6.5918,App,9.0,1.3911,Ap,25.0,-385.67948971,1.21808 |
| 6590,C3v,C3v,-8.2253,Ap,21.0,0.8944,App,9.0,-326.60600745,4.56469 |
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| 109303,Cs,Cs,-5.9794,App,10.0,0.8756,App,11.0,-424.10911263,2.45639 |
| 14756,Cs,Cs,-7.0165,App,7.0,1.0542,Ap,25.0,-364.9745076,3.79507 |
| 47275,Cs,Cs,-6.8398,App,13.0,-3.4794,Ap,21.0,-493.51052462,4.15732 |
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| 14270,C2,C2,-7.4929,B,15.0,2.2477,A,17.0,-313.02807007,0.02715 |
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| 5807,Cs,Cs,-6.4036,App,12.0,2.1419,Ap,22.0,-351.3622121,1.10561 |
| 103760,C2,C2,-6.3261,B,17.0,1.7052,B,18.0,-497.08508084,1.02555 |
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| 124595,Cs,Cs,-5.8985,App,9.0,0.6136,App,10.0,-435.17437351,2.84779 |
| 47971,Cs,C1,-7.079,,,-1.5777,,,-384.4835189,4.00911 |
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| 48307,Cs,Cs,-7.2566,App,11.0,-1.3376,App,12.0,-453.81592827,1.75975 |
| 158,Cs,C1,-8.3218,,,2.4199,,,-196.40795914,0.00629 |
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| 48,Cs,C1,-6.4106,,,0.6277,,,-248.30012254,0.62688 |
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| 44516,C2v,C2v,-7.6963,B2,9.0,1.0124,B1,7.0,-457.59185325,5.65626 |
| 51241,Cs,Cs,-7.2077,Ap,23.0,0.276,App,12.0,-422.89235662,4.21011 |
| 40981,D2,C2,-6.6629,B,16.0,0.1455,A,18.0,-421.68906867,1.49309 |
| 34477,C2v,Cs,-7.5226,Ap,18.0,-2.7315,App,14.0,-415.45760011,3.96576 |
| 58350,Cs,Cs,-6.3172,App,12.0,0.9447,App,13.0,-405.49559162,3.83704 |
| 133816,C2,C2,-6.0857,A,17.0,1.7036,B,16.0,-380.57737388,1.30629 |
| 134,Cs,Cs,-6.6914,App,5.0,2.6446,Ap,17.0,-233.5002903,1.06149 |
| 1650,Cs,Cs,-6.8061,Ap,22.0,-1.8415,App,6.0,-381.49580353,1.39754 |
| 57824,Cs,Cs,-6.6406,App,6.0,-1.4006,App,7.0,-400.56145825,3.73895 |
| 44919,D2,C2,-7.276,A,17.0,0.0857,B,17.0,-453.79202272,2.60666 |
| 102199,Cs,Cs,-8.8665,App,13.0,0.2304,Ap,21.0,-381.99242634,3.29211 |
| 119351,Cs,Cs,-7.581,Ap,25.0,2.6319,Ap,26.0,-352.26723509,0.04202 |
| 2726,Cs,Cs,-6.6889,App,7.0,2.5018,Ap,23.0,-347.95617403,0.13137 |
| 26357,Cs,C1,-4.9146,,,1.412,,,-419.08133829,2.74225 |
| 20549,Cs,Cs,-8.062,App,8.0,-1.0251,App,9.0,-379.76829812,3.9183 |
| 8345,Cs,Cs,-6.9327,App,8.0,0.7132,App,9.0,-363.69592074,3.58346 |
| 62762,Cs,Cs,-7.4493,App,11.0,1.0932,Ap,24.0,-458.83730411,5.18266 |
| 22429,Cs,Cs,-6.3331,App,9.0,0.4222,App,10.0,-402.99757078,0.74966 |
| 24977,Cs,Cs,-5.9605,App,7.0,0.66,App,8.0,-473.62213621,2.34 |
| 63257,C2v,C2v,-7.6204,A1,15.0,-1.8713,B1,7.0,-494.79422544,5.22132 |
| 6604,Cs,Cs,-6.5515,App,9.0,2.6858,Ap,23.0,-348.87282336,1.23867 |
| 116646,Cs,Cs,-6.3805,App,7.0,-0.1827,App,8.0,-420.33019605,3.26045 |
| 72134,C2,C2,-6.3851,B,16.0,2.4352,B,17.0,-422.86359603,0.27976 |
| 68375,Cs,Cs,-5.6993,Ap,25.0,0.853,App,10.0,-419.08834708,3.99187 |
| 21966,Cs,Cs,-8.0663,App,10.0,-1.2504,Ap,21.0,-427.86716543,4.73313 |
| 130491,C2v,C2v,-6.763,A2,2.0,-2.3084,B2,4.0,-415.4389627,4.11668 |
| 59564,Cs,Cs,-6.7755,Ap,22.0,2.3346,Ap,23.0,-388.20511779,1.91761 |
| 99412,Cs,Cs,-7.0707,App,10.0,0.8264,Ap,22.0,-347.30273282,0.51809 |
| 131821,Cs,Cs,-6.9141,Ap,23.0,0.1111,Ap,24.0,-435.11912529,1.80665 |
| 47884,C2,C2,-6.3926,A,18.0,-1.7966,B,17.0,-494.72345428,3.66889 |
| 37019,C2,C2,-5.9396,A,17.0,0.6659,A,18.0,-348.65450449,0.05966 |
| 7729,Cs,Cs,-6.6831,Ap,18.0,-0.669,App,13.0,-415.77003132,3.40075 |
| 48260,Cs,Cs,-7.6003,Ap,20.0,-1.4621,App,13.0,-416.67529476,5.69525 |
| 73287,C2v,C2v,-7.2889,A2,3.0,2.7531,A1,16.0,-351.06091901,0.13088 |
| 89971,Cs,Cs,-6.3996,App,9.0,1.144,App,10.0,-403.04806911,3.4193 |
| 14746,Cs,Cs,-6.8867,Ap,24.0,1.7574,Ap,25.0,-312.98979954,0.83114 |
| 38880,C2,C2,-6.2828,B,16.0,2.5652,A,19.0,-422.91311038,0.2645 |
| 133636,Cs,Cs,-8.8985,Ap,25.0,0.7766,Ap,26.0,-548.15029604,3.33313 |
| 66344,Cs,Cs,-6.876,App,11.0,1.7947,Ap,24.0,-351.07679429,0.48101 |
| 23897,Cs,Cs,-9.0548,App,9.0,0.7356,Ap,23.0,-508.86493763,1.93095 |
| 7704,Cs,Cs,-7.4325,Ap,18.0,0.0915,Ap,19.0,-415.72506416,3.55946 |
| 36818,C2v,C2v,-8.6836,B1,12.0,0.7435,A1,15.0,-381.99584543,3.83934 |
| 128656,Cs,Cs,-5.3887,App,7.0,1.0786,App,8.0,-419.09825476,1.81453 |
| 6444,Cs,Cs,-6.1862,Ap,22.0,0.9125,App,9.0,-343.88088016,3.45991 |
| 77700,Cs,Cs,-5.6796,Ap,21.0,2.2327,Ap,22.0,-386.93947699,1.63266 |
| 19744,D2d,D2d,-7.3262,A,9.0,2.6963,A,10.0,-311.81250957,0.0 |
| 5953,Cs,Cs,-6.5772,Ap,23.0,1.0142,App,10.0,-366.2162735,3.75512 |
| 43845,Cs,Cs,-6.3387,Ap,25.0,-1.61,App,9.0,-437.76155027,5.9843 |
| 42678,C2v,C2v,-6.0666,A1,15.0,-1.9934,B1,6.0,-420.44930766,5.0353 |
| 2126,Cs,Cs,-5.7488,Ap,16.0,1.1962,App,12.0,-273.76530466,0.13919 |
| 6430,Cs,Cs,-6.9379,App,8.0,-0.7707,App,9.0,-383.6320974,0.22671 |
| 43606,Cs,Cs,-6.7157,App,8.0,-0.7872,Ap,24.0,-383.2614676,2.012 |
| 39763,C2v,C2v,-5.7119,B2,8.0,0.0759,B1,8.0,-348.61609826,0.05718 |
| 10796,C2,C2,-6.6384,B,13.0,-0.8759,B,14.0,-415.76609972,1.06781 |
| 124451,Cs,Cs,-7.819,App,9.0,-0.5064,App,10.0,-419.0940794,1.15923 |
| 72135,C2,C2,-5.9177,A,18.0,1.7349,A,19.0,-422.85377819,0.68758 |
| 12145,Cs,C2v,-5.7008,B2,6.0,2.2145,A1,13.0,-347.65265261,1.57261 |
| 124460,Cs,Cs,-7.6236,Ap,25.0,-0.3923,App,10.0,-415.2627431,3.14382 |
| 5794,Cs,Cs,-5.3482,App,7.0,1.3544,App,8.0,-326.63912638,2.06512 |
| 20993,Cs,Cs,-5.8291,App,12.0,1.5423,Ap,19.0,-431.76305765,3.38062 |
| 20992,Cs,Cs,-5.4095,App,12.0,1.3243,Ap,19.0,-392.03486316,5.26953 |
| 53,Td,Td,-8.473,B2,5.0,2.1556,A,7.0,-197.61694761,0.0 |
| 38798,C2,C2,-6.4371,A,17.0,1.8988,A,18.0,-421.62569389,0.79804 |
| 11849,Cs,C1,-6.401,,,0.8441,,,-363.74130627,4.365 |
| 40908,Cs,Cs,-6.4675,App,11.0,2.1267,Ap,24.0,-422.85823652,2.59833 |
| 1233,Cs,Cs,-7.5926,Ap,18.0,-0.8571,Ap,19.0,-287.34152827,5.31819 |
| 75967,Cs,Cs,-6.4759,Ap,21.0,0.424,App,14.0,-471.06009969,2.93865 |
| 57503,Cs,Cs,-6.6006,App,9.0,-0.9342,App,10.0,-399.23325124,3.08402 |
| 57730,Cs,Cs,-6.9818,Ap,26.0,-0.8735,App,10.0,-460.01988367,1.27133 |
| 57339,Cs,Cs,-6.6929,Ap,24.0,-0.4684,App,13.0,-425.33457772,1.47777 |
| 58357,Cs,Cs,-5.9988,App,11.0,0.9737,App,12.0,-404.25325174,3.97409 |
| 120840,Cs,Cs,-6.9614,Ap,20.0,2.6018,Ap,21.0,-353.51296875,0.09148 |
| 8404,Cs,Cs,-6.5741,Ap,20.0,2.5073,Ap,21.0,-312.99829664,0.08988 |
| 15938,Cs,Cs,-6.8669,Ap,20.0,2.3048,Ap,21.0,-312.99838414,0.13506 |
| 115510,C2,C2,-6.4976,B,17.0,2.19,B,18.0,-425.31895067,1.74714 |
| 53976,Cs,Cs,-6.9379,Ap,26.0,-0.707,App,10.0,-460.06151227,1.80561 |
| 6423,Cs,Cs,-7.0996,App,8.0,-1.025,Ap,22.0,-362.5601707,2.4284 |
| 62501,Cs,Cs,-8.1437,Ap,20.0,-0.1151,App,13.0,-380.76196179,6.38809 |
| 48219,S4,S4,-7.6319,A,17.0,-2.3102,A,18.0,-493.50293738,0.0 |
| 101667,C2,C2,-7.0367,A,19.0,2.1324,A,20.0,-426.52540135,2.79813 |
| 124600,Cs,Cs,-6.0945,App,9.0,0.2293,App,10.0,-435.13574236,1.757 |
| 37859,D2d,C2v,-5.2607,A1,13.0,1.7476,A1,14.0,-421.64313969,1.24175 |
| 133486,Cs,Cs,-6.7821,App,10.0,1.5842,Ap,26.0,-532.0632279,2.27091 |
| 908,C2v,C2v,-5.7573,B2,8.0,-0.1652,B1,4.0,-323.3103925,6.62901 |
| 72136,C2,C2,-6.2123,A,18.0,1.4479,A,19.0,-458.74335807,2.52841 |
| 318,Cs,Cs,-6.917,App,7.0,2.2957,Ap,17.0,-270.30419671,1.4325 |
| 122871,Cs,Cs,-6.9964,App,11.0,2.1649,Ap,27.0,-390.63651028,1.48268 |
| 2207,Cs,Cs,-6.3534,Ap,18.0,2.3499,Ap,19.0,-310.85107936,1.74483 |
| 104875,Cs,Cs,-6.455,App,12.0,0.4175,App,13.0,-459.99894222,1.12198 |
| 78685,Cs,Cs,-7.4456,Ap,23.0,2.5917,Ap,24.0,-351.0148621,0.00244 |
| 59109,Cs,Cs,-6.3656,Ap,22.0,2.0876,Ap,23.0,-389.4159077,1.76086 |
| 10695,Cs,Cs,-6.6038,Ap,21.0,-0.4492,App,11.0,-348.92687547,2.83718 |
| 37611,C2,C2,-5.31,A,17.0,1.8061,B,16.0,-380.65537244,0.45642 |
| 117724,C2v,C2v,-6.6676,A2,4.0,2.2613,A1,16.0,-426.52066502,2.05178 |
| 53814,Cs,Cs,-5.8565,App,7.0,-0.2888,App,8.0,-435.14506752,2.07572 |
| 97020,Cs,Cs,-6.0306,App,9.0,0.0726,App,10.0,-399.2440288,3.1067 |
| 64298,Cs,Cs,-6.8064,App,9.0,-1.2471,App,10.0,-401.84757866,3.03767 |
| 72408,C2v,C2v,-6.6706,A2,5.0,2.0276,A1,14.0,-424.12654789,2.83417 |
| 10751,Cs,Cs,-5.8139,Ap,21.0,-0.622,App,11.0,-364.9396474,1.60598 |
| 1144,C2v,C2v,-6.7155,A1,10.0,2.342,A1,11.0,-274.9466051,0.07281 |
| 53967,Cs,Cs,-6.989,Ap,25.0,0.5592,App,10.0,-419.13243088,5.07021 |
| 26098,Cs,Cs,-5.8131,App,9.0,1.0988,App,10.0,-383.21992737,3.39938 |
| 46477,Cs,Cs,-6.2651,Ap,25.0,-1.5046,App,9.0,-437.76900817,6.15871 |
| 9340,Cs,Cs,-6.4604,Ap,25.0,-0.0687,App,8.0,-350.17181251,2.49597 |
| 121727,Cs,Cs,-6.5822,Ap,28.0,-0.1966,App,9.0,-425.33998618,1.35507 |
| 26745,Cs,C1,-5.3003,,,1.3891,,,-381.97428835,3.5642 |
| 21382,C2h,C2h,-6.0701,Au,3.0,-0.2449,Bg,3.0,-373.55261807,0.0 |
| 23908,Cs,Cs,-7.1095,App,10.0,2.4098,Ap,24.0,-531.12889149,1.94366 |
| 10799,C2,C2,-7.8243,B,15.0,-0.505,B,16.0,-455.48705951,2.37067 |
| 133788,Cs,Cs,-7.6727,App,10.0,-0.0273,App,11.0,-585.24757591,1.3323 |
| 37858,Cs,C2v,-5.3999,B2,8.0,2.1445,A1,14.0,-385.76748491,1.31492 |
| 62938,Cs,Cs,-5.9658,Ap,20.0,2.4691,Ap,21.0,-368.30090206,1.65153 |
| 39576,C2,C2,-6.4766,B,16.0,0.7577,B,17.0,-385.79568907,1.30945 |
| 295,C2v,Cs,-6.4764,Ap,17.0,2.1399,Ap,18.0,-271.55737774,2.02319 |
| 55616,Cs,Cs,-7.2864,Ap,22.0,0.0772,Ap,23.0,-420.40688722,1.57338 |
| 119073,Cs,Cs,-6.5509,Ap,26.0,2.093,Ap,27.0,-425.29025367,0.5474 |
| 41895,Cs,Cs,-7.6039,Ap,20.0,1.9031,Ap,21.0,-352.33709462,0.06619 |
| 8624,C3,C3,-7.1106,A,30.0,-1.5101,A,31.0,-419.53598879,1.32285 |
| 6776,Cs,Cs,-6.62,Ap,25.0,-0.2309,App,8.0,-386.06072322,1.65598 |
| 41374,Cs,Cs,-6.7223,Ap,20.0,2.1816,Ap,21.0,-422.86306494,1.16995 |
| 2007,C3v,C3v,-7.007,Ap,18.0,0.4732,App,8.0,-303.32289482,2.1828 |
| 66800,Cs,Cs,-6.1813,App,10.0,1.7999,Ap,23.0,-384.4332332,1.38039 |
| 5810,D3,D3,-7.8845,A,17.0,2.0473,A,18.0,-315.4556701,0.00013 |
| 42071,D2,C2,-6.8318,A,18.0,-0.0436,B,17.0,-454.97351139,2.14114 |
| 133635,Cs,Cs,-7.1851,App,10.0,1.4078,Ap,26.0,-532.05136147,1.74369 |
| 62592,C2v,C2v,-5.7381,B2,8.0,2.6383,B1,9.0,-349.82719536,0.10805 |
| 128888,C2v,C2v,-9.406,B1,3.0,-3.2458,B1,4.0,-446.26953741,1.83743 |
| 3242,C2,C2,-7.1413,A,14.0,2.524,A,15.0,-345.49457936,2.48533 |
| 36021,C2,C2,-6.9269,B,15.0,1.4778,A,18.0,-348.55887392,0.69027 |
| 102614,Cs,C1,-7.1479,,,0.6365,,,-425.38005369,1.90138 |
| 20242,C2v,C2v,-5.4716,A1,11.0,2.1913,A1,12.0,-382.35807709,1.92413 |
| 124856,Cs,Cs,-5.9483,App,8.0,0.7885,App,9.0,-381.96808789,1.97846 |
| 69773,C2,C2,-5.7007,B,16.0,2.5717,A,19.0,-386.97292477,1.13475 |
| 99421,Cs,Cs,-7.7731,App,10.0,-0.7181,Ap,22.0,-399.27553994,4.82694 |
| 102332,Cs,Cs,-8.1582,App,11.0,-0.0798,Ap,23.0,-417.87021023,5.6688 |
| 11085,Cs,Cs,-6.7861,Ap,21.0,1.0976,App,8.0,-309.2804938,0.32266 |
| 31993,C2,C2,-5.8306,A,18.0,0.3148,B,17.0,-458.80856463,0.14637 |
| 11965,Cs,Cs,-6.3571,App,11.0,2.3885,Ap,21.0,-348.89630709,1.76336 |
| 98395,Cs,Cs,-7.0668,App,6.0,-0.8729,App,7.0,-471.045052,3.3863 |
| 516,C2h,C2h,-6.4066,Au,3.0,1.7167,Ag,10.0,-234.43336275,0.0 |
| 4984,C2,C2,-5.4981,B,14.0,-0.5163,B,15.0,-374.82266566,1.92591 |
| 26298,Cs,Cs,-6.4631,App,9.0,0.4643,App,10.0,-458.86185411,5.0044 |
| 123092,Cs,C1,-7.0935,,,1.7163,,,-441.42441391,2.49983 |
| 21393,C2v,C2v,-7.2157,B2,3.0,-1.2233,A2,3.0,-405.58349336,6.66789 |
| 19207,C2,C2,-6.4323,B,15.0,2.1964,A,17.0,-384.84124688,1.19693 |
| 20712,C2v,C2v,-5.9375,B2,11.0,-1.0094,A2,3.0,-342.70978421,3.81668 |
| 127086,Cs,Cs,-5.6685,App,9.0,1.2082,App,10.0,-435.11709054,2.3195 |
| 2025,Cs,Cs,-6.9591,Ap,19.0,2.6413,Ap,20.0,-273.71243239,0.20914 |
| 97712,Cs,Cs,-6.4423,App,9.0,0.8398,Ap,25.0,-385.6770431,1.46158 |
| 38281,C2v,C2v,-5.5736,B2,7.0,0.6686,A2,3.0,-385.73091572,2.09973 |
| 698,Cs,Cs,-6.3978,Ap,16.0,1.5808,Ap,17.0,-285.05649294,1.56743 |
| 39945,C2,C2,-5.6626,B,15.0,0.866,B,16.0,-349.86285827,0.28492 |
| 75385,Cs,Cs,-5.618,Ap,19.0,-0.4946,App,15.0,-349.89635528,0.24322 |
| 7027,Cs,Cs,-6.72,Ap,25.0,-0.9861,App,6.0,-431.79601121,5.52283 |
| 12112,C2,C2,-6.4038,B,15.0,2.4989,A,17.0,-312.98805891,0.04909 |
| 36815,C2v,C2v,-7.0291,B2,4.0,1.4418,A1,15.0,-385.68536956,0.61954 |
| 167,D2d,C2v,-6.816,B1,6.0,0.5553,B2,3.0,-242.09924649,5.61243 |
| 122282,Cs,Cs,-5.9442,Ap,25.0,2.292,Ap,26.0,-368.27141218,2.15826 |
| 14796,Cs,Cs,-6.6581,App,8.0,2.4829,Ap,26.0,-387.24060142,2.04515 |
| 186,C2v,C2v,-5.2041,B1,3.0,1.2426,A2,2.0,-301.28578254,3.77294 |
| 23997,C2v,C2v,-7.3971,A2,2.0,-2.3719,B2,4.0,-414.26627686,4.1098 |
| 124860,Cs,Cs,-6.7221,App,8.0,-0.1307,App,9.0,-401.80465979,2.7743 |
| 6584,Cs,Cs,-6.2081,App,9.0,2.5093,Ap,23.0,-348.91742596,1.65791 |
| 38322,Cs,Cs,-6.202,Ap,23.0,2.6142,Ap,24.0,-385.64287929,1.96782 |
| 21344,Cs,Cs,-7.1603,App,9.0,-0.3818,Ap,20.0,-373.56079241,5.13889 |
| 6594,Cs,Cs,-6.6876,App,8.0,1.4001,Ap,22.0,-346.40103676,1.38105 |
| 99944,Cs,Cs,-7.6302,App,9.0,-2.2114,App,10.0,-438.95157259,3.83951 |
| 59331,Cs,Cs,-7.3591,Ap,24.0,2.3782,Ap,25.0,-353.52139227,0.02371 |
| 62641,Cs,Cs,-5.9833,Ap,25.0,2.4197,Ap,26.0,-367.0363814,1.90611 |
| 14790,Cs,Cs,-6.6326,App,8.0,2.5694,Ap,26.0,-351.35711566,0.92512 |
| 116901,Cs,Cs,-6.059,App,9.0,1.682,Ap,26.0,-386.93811296,1.64812 |
| 4427,C2v,C2v,-4.8983,B1,4.0,1.3899,A2,3.0,-379.86934488,4.25836 |
| 366,C2,C2,-6.5772,B,11.0,-0.1831,B,12.0,-343.36249822,5.37367 |
| 75054,Cs,Cs,-6.3225,Ap,25.0,-0.2856,App,10.0,-387.03462698,2.63694 |
| 89718,Cs,Cs,-5.6615,Ap,23.0,2.3729,Ap,24.0,-404.20996319,2.57155 |
| 98523,Cs,Cs,-6.634,Ap,25.0,-0.5404,App,10.0,-422.84582625,1.66395 |
| 133541,Cs,Cs,-8.4187,App,11.0,0.4028,Ap,24.0,-546.90903141,3.949 |
| 8396,Cs,Cs,-5.985,Ap,22.0,0.5894,App,9.0,-379.74247596,3.46546 |
| 102375,Cs,Cs,-6.9484,App,12.0,1.4963,Ap,24.0,-388.15950138,1.30976 |
| 31651,Cs,C1,-4.9246,,,1.0129,,,-419.1140352,2.94538 |
| 13927,Cs,Cs,-7.1886,Ap,22.0,0.3513,App,9.0,-383.62974208,4.19037 |
| 57323,Cs,Cs,-8.9381,Ap,20.0,-0.1317,Ap,21.0,-381.98558371,4.48014 |
| 116664,Cs,Cs,-6.8933,Ap,28.0,-1.0456,App,7.0,-455.01853819,5.93778 |
| 57562,Cs,Cs,-6.9283,Ap,26.0,-0.6645,App,11.0,-425.32914918,2.77364 |
| 8491,Cs,C1,-6.8204,,,2.274,,,-348.86674276,1.21441 |
| 68407,Cs,Cs,-6.8196,App,11.0,2.5631,Ap,24.0,-351.06660425,0.18762 |
| 105,C2v,C2v,-6.2794,B2,5.0,2.8797,A1,10.0,-231.00014988,1.97705 |
| 21443,C2v,C2v,-8.1055,B2,11.0,-2.0221,B1,4.0,-446.47166036,0.48358 |
| 19,C2,C2,-6.7102,B,7.0,1.6138,B,8.0,-225.1373711,3.52561 |
| 121514,Cs,C1,-6.1299,,,-0.1941,,,-385.71259722,0.83545 |
| 63356,Cs,Cs,-6.9381,Ap,25.0,0.2774,App,10.0,-422.94949618,4.30061 |
| 1801,Cs,C1,-6.5059,,,1.0849,,,-325.71021517,3.54753 |
| 29715,Cs,Cs,-4.9947,App,7.0,1.6523,App,8.0,-419.1319376,2.24964 |
| 282,C2h,C2h,-6.5212,Ag,10.0,-0.7682,Au,3.0,-338.42369095,0.0 |
| 75741,Cs,Cs,-6.2412,App,9.0,-0.5467,App,10.0,-403.0891798,4.27286 |
| 63748,Cs,Cs,-6.5877,Ap,23.0,1.7745,Ap,24.0,-424.08514915,2.79783 |
| 98522,Cs,Cs,-6.3249,Ap,25.0,-0.2852,App,10.0,-386.96208651,2.65522 |
| 124610,Cs,C1,-7.304,,,-0.2646,,,-415.27132416,2.64238 |
| 465,Cs,Cs,-8.2001,App,9.0,2.3823,Ap,16.0,-235.69356544,0.0755 |
| 64111,Cs,Cs,-7.3673,App,9.0,-1.3675,App,10.0,-417.89364335,5.11132 |
| 20113,C2,C2,-6.9866,B,14.0,-0.9964,B,15.0,-379.75590744,1.16598 |
| 49229,Cs,Cs,-6.706,App,8.0,-1.9477,App,9.0,-437.72463765,4.25589 |
| 549,C2h,C2h,-7.0008,Au,3.0,2.1805,Bu,10.0,-308.67455483,0.0 |
| 44518,C2v,C2v,-7.4142,B2,9.0,0.5577,B1,7.0,-493.46657115,3.38563 |
| 7201,Cs,Cs,-6.6787,App,14.0,2.4406,Ap,20.0,-387.23661423,2.08192 |
| 124447,Cs,Cs,-6.8908,App,9.0,0.4528,App,10.0,-399.25512708,2.56029 |
| 72130,C2,C2,-6.2228,B,16.0,2.4671,A,19.0,-386.95923117,1.85836 |
| 7901,Cs,Cs,-5.7033,Ap,18.0,-2.4648,Ap,19.0,-399.6676904,3.56145 |
| 68097,Cs,Cs,-6.4063,App,13.0,-0.0951,Ap,22.0,-422.90765622,2.34989 |
| 62506,D3h,D3h,-6.5466,A1,13.0,2.1251,A1,14.0,-353.50858751,0.00029 |
| 65495,Cs,Cs,-6.5666,Ap,25.0,-0.4281,App,10.0,-386.97511165,2.76945 |
| 73822,Cs,Cs,-5.6637,App,9.0,1.0152,App,10.0,-351.09535079,0.02536 |
| 68360,Cs,Cs,-6.5948,App,9.0,0.9054,App,10.0,-403.05119188,3.39535 |
| 72535,C3v,C3v,-7.3957,Ap,23.0,1.9548,Ap,24.0,-352.3442609,0.10052 |
| 3263,Cs,Cs,-6.2366,Ap,16.0,0.7964,App,12.0,-273.75304151,0.2608 |
| 126406,C2,C2,-7.0318,A,18.0,0.0484,B,17.0,-419.11579915,3.65461 |
| 5671,C2v,C2v,-5.4317,B2,3.0,0.6652,A2,3.0,-373.58240336,7.07428 |
| 5712,Cs,Cs,-5.2155,App,11.0,1.3805,Ap,19.0,-326.67547485,1.55387 |
| 9867,Cs,Cs,-6.9333,Ap,22.0,-1.3598,App,8.0,-346.45653965,4.27367 |
| 124549,Cs,Cs,-6.6453,App,9.0,0.0966,App,10.0,-403.05109444,2.97592 |
| 27393,Cs,Cs,-6.2229,App,13.0,0.0048,Ap,21.0,-466.07001922,9.45394 |
| 530,Cs,Cs,-7.3657,App,5.0,0.9868,Ap,19.0,-286.4059495,3.73516 |
| 12300,C2,C2,-7.0133,A,16.0,-0.8675,B,15.0,-415.70960349,5.30562 |
| 124843,Cs,Cs,-6.2259,App,9.0,1.0456,App,10.0,-381.94911429,3.21709 |
| 98376,Cs,Cs,-6.9789,App,6.0,-0.472,App,7.0,-435.1545806,1.21813 |
| 10228,Cs,Cs,-6.4411,App,12.0,2.4058,Ap,22.0,-351.35820327,0.95418 |
| 89973,Cs,Cs,-6.653,Ap,25.0,0.7151,App,10.0,-438.93580373,4.27527 |
| 57395,Cs,Cs,-5.9967,App,10.0,0.7896,App,11.0,-388.2123812,1.96584 |
| 51009,Cs,Cs,-6.9238,App,10.0,0.1485,App,11.0,-422.87664498,3.97972 |
| 38325,C2v,C2v,-6.2348,B1,6.0,1.0501,A2,3.0,-349.82385345,0.00584 |
| 34471,Cs,Cs,-5.7646,Ap,18.0,-1.0233,App,14.0,-347.38848367,0.70992 |
| 119726,Cs,Cs,-6.824,Ap,23.0,2.3081,Ap,24.0,-352.28220595,0.09457 |
| 102412,D2d,D2d,-6.4595,A,10.0,1.9293,A,11.0,-498.30302775,0.0 |
| 2021,Cs,Cs,-6.4208,App,7.0,1.1151,App,8.0,-324.4693296,3.76894 |
| 55744,Cs,Cs,-6.606,Ap,25.0,0.2686,App,10.0,-438.90127622,2.47582 |
| 42067,C2,C2,-6.219,A,18.0,0.7097,B,17.0,-351.09317165,0.04352 |
| 15913,Cs,C1,-6.48,,,1.2995,,,-310.5236033,0.74224 |
| 6944,Cs,Cs,-6.5531,Ap,22.0,-0.2637,App,9.0,-379.85528507,2.27594 |
| 133743,Cs,Cs,-8.8329,Ap,24.0,2.2392,Ap,25.0,-534.52940366,2.04198 |
| 53223,Cs,C1,-6.3059,,,1.7263,,,-351.05614965,0.16302 |
| 34591,Cs,Cs,-7.0313,App,8.0,-1.4184,App,9.0,-416.65072534,5.16263 |
| 12312,C2,C2,-5.7959,B,15.0,1.1371,A,17.0,-313.05088779,0.02444 |
| 54380,Cs,Cs,-6.5337,App,9.0,-0.501,App,10.0,-422.856136,2.3018 |
| 123746,Cs,Cs,-6.5873,Ap,25.0,0.5908,App,9.0,-398.00443149,6.35496 |
| 45941,C2,C2,-6.4351,B,15.0,-0.994,B,16.0,-421.73068934,0.8123 |
| 90456,Cs,Cs,-6.353,App,11.0,2.6553,Ap,25.0,-424.10074846,1.09798 |
| 57493,Cs,Cs,-6.7111,Ap,26.0,-0.3492,App,10.0,-420.33090347,2.02905 |
| 102691,Cs,C1,-6.8624,,,-0.6306,,,-425.32853854,2.9945 |
| 1922,Cs,Cs,-7.6952,Ap,19.0,2.5079,Ap,20.0,-273.73689472,0.08462 |
| 6948,Cs,Cs,-6.2832,Ap,22.0,-1.0795,App,9.0,-347.75238978,3.39611 |
| 7567,Cs,Cs,-6.8669,Ap,23.0,0.6717,App,9.0,-400.88725336,5.56324 |
| 63547,Cs,Cs,-6.1743,Ap,21.0,1.037,App,14.0,-351.08652728,0.16567 |
| 39930,Cs,Cs,-5.4923,Ap,20.0,-0.7565,App,13.0,-348.6531413,0.10793 |
| 221,Cs,Cs,-6.9291,App,7.0,1.291,Ap,17.0,-270.31251956,1.87203 |
| 14797,C2h,C2h,-6.6576,Au,4.0,2.5298,Bu,13.0,-387.24548452,0.0 |
| 124442,Cs,Cs,-6.8282,App,9.0,-0.1002,App,10.0,-403.03624859,3.40546 |
| 124867,Cs,Cs,-6.5536,App,12.0,0.6068,Ap,22.0,-398.00205083,6.27104 |
| 1813,Cs,Cs,-7.2622,App,10.0,2.3574,Ap,19.0,-274.94261861,0.05787 |
| 53787,Cs,Cs,-6.3399,Ap,26.0,-2.1569,App,10.0,-424.1497822,0.20162 |
| 124622,Cs,C1,-6.6505,,,-0.3516,,,-454.97016943,1.16243 |
| 9351,Cs,Cs,-6.6341,App,7.0,1.9491,App,8.0,-402.13757355,2.40563 |
| 3270,C2,C2,-6.6268,B,13.0,2.73,A,16.0,-346.76742228,1.01565 |
| 118659,Cs,Cs,-6.7234,App,14.0,1.7015,Ap,22.0,-424.03845623,2.50372 |
| 74143,Cs,Cs,-6.3201,App,9.0,-0.432,App,10.0,-403.07738448,4.0532 |
| 59942,Cs,Cs,-7.1375,App,12.0,0.8763,Ap,24.0,-404.26074516,4.79845 |
| 7316,Cs,Cs,-6.4554,App,6.0,-0.2639,App,7.0,-381.04659492,2.94632 |
| 21762,C2h,C2h,-8.139,Au,3.0,-3.274,Bg,3.0,-445.25891908,0.0 |
| 74262,Cs,Cs,-6.0529,App,9.0,0.2983,App,10.0,-399.25915837,3.70871 |
| 124529,Cs,Cs,-6.1366,App,9.0,0.8959,App,10.0,-383.20399692,2.07394 |
| 42186,Cs,Cs,-7.6824,Ap,24.0,-2.2946,App,9.0,-400.57013809,3.95086 |
| 46177,Cs,Cs,-6.9389,Ap,21.0,-1.2484,App,11.0,-419.14558949,0.48239 |
| 1151,D2,C2,-6.7045,B,13.0,2.0312,A,15.0,-345.48547002,1.35678 |
| 24328,C2v,C2v,-6.0267,A2,2.0,-2.0835,B2,4.0,-415.47985569,0.12583 |
| 12436,Cs,Cs,-6.346,App,12.0,-0.218,Ap,19.0,-347.73962992,2.73851 |
| 1111,C2,C2,-6.7155,B,13.0,-1.0796,A,15.0,-345.58894826,1.52654 |
| 1696,Cs,Cs,-6.7612,App,7.0,1.6028,App,8.0,-272.47321971,0.68798 |
| 95796,Cs,Cs,-7.6001,Ap,22.0,2.1989,Ap,23.0,-353.54960808,0.0893 |
| 75303,Cs,Cs,-5.8351,App,9.0,0.9728,App,10.0,-351.09377008,0.19142 |
| 1269,Cs,Cs,-6.6199,App,8.0,0.7906,App,9.0,-326.89763966,2.89727 |
| 5116,Cs,Cs,-4.9811,App,6.0,1.5952,App,7.0,-327.8882259,1.94077 |
| 2042,C2v,C2v,-7.5554,B2,5.0,2.6953,A1,13.0,-273.68069292,0.12842 |
| 103741,Cs,Cs,-6.8196,App,16.0,2.0658,Ap,21.0,-425.28753345,2.8333 |
| 52470,Cs,Cs,-6.0967,App,9.0,-0.0481,Ap,25.0,-385.72040357,1.45785 |
| 59565,Cs,Cs,-6.5457,Ap,22.0,2.6217,Ap,23.0,-424.09713267,0.98497 |
| 3520,C2v,C2v,-7.0858,B2,7.0,3.0042,B1,6.0,-272.44455004,0.02556 |
| 36598,Cs,Cs,-6.7823,App,9.0,1.0769,Ap,25.0,-385.6705129,1.3219 |
| 125932,Cs,Cs,-6.5985,Ap,21.0,0.052,Ap,22.0,-398.0214863,0.99913 |
| 98162,Cs,Cs,-7.056,Ap,25.0,0.5605,App,10.0,-419.13119929,0.86655 |
| 8362,Cs,Cs,-6.7381,App,9.0,2.5844,Ap,23.0,-348.85990162,1.08231 |
| 37849,C2v,C2v,-6.0335,A1,13.0,1.2254,A1,14.0,-421.63922622,3.28959 |
| 6615,Cs,Cs,-6.4477,Ap,21.0,1.9689,Ap,22.0,-350.12056464,2.05499 |
| 5075,Cs,Cs,-4.9532,App,6.0,1.6325,App,7.0,-327.89543116,1.66656 |
| 102666,Cs,Cs,-6.4601,App,12.0,1.033,App,13.0,-405.46942666,2.86546 |
| 128922,Cs,Cs,-7.4319,Ap,22.0,-0.484,Ap,23.0,-412.85215349,3.64008 |
| 1113,C2v,C2v,-6.52,B1,10.0,-0.4198,A2,3.0,-361.65352663,5.95819 |
| 14476,C3v,C3v,-6.9638,App,10.0,2.4324,Ap,21.0,-311.82400173,0.00453 |
| 34066,C3v,C3v,-6.795,Ap,22.0,1.7729,Ap,23.0,-348.63135927,0.8325 |
| 12131,C2,C2,-5.6374,B,15.0,2.2435,A,16.0,-383.51326769,2.25119 |
| 38328,Cs,Cs,-6.2399,Ap,25.0,0.8834,App,9.0,-385.70924076,1.88532 |
| 9719,Cs,Cs,-6.8264,App,10.0,1.7313,Ap,21.0,-311.78416394,0.57058 |
| 328,Cs,Cs,-9.2634,Ap,13.0,-0.2378,Ap,14.0,-264.13125174,4.10679 |
| 63844,Cs,Cs,-6.2002,App,12.0,2.2879,Ap,24.0,-388.20318117,1.31265 |
| 75974,Cs,Cs,-7.9451,Ap,21.0,-0.3825,App,14.0,-510.84405986,2.07372 |
| 38369,Cs,Cs,-6.7779,App,13.0,1.9878,Ap,23.0,-424.09269711,2.28991 |
| 5856,Cs,Cs,-6.4507,App,9.0,1.6855,Ap,23.0,-313.00278249,0.18769 |
| 28008,Cs,Cs,-5.7473,App,6.0,-0.6295,App,7.0,-473.66666623,2.3187 |
| 51015,C2,C2,-6.7827,B,16.0,-0.7513,B,17.0,-422.89295279,4.90334 |
| 63968,Cs,Cs,-6.5517,Ap,22.0,2.1607,Ap,23.0,-424.11771802,0.91571 |
| 11092,C2,C2,-8.4351,B,13.0,-1.0663,A,16.0,-377.35919977,2.47037 |
| 26146,Cs,Cs,-6.0968,App,9.0,0.3852,App,10.0,-403.08513478,1.69412 |
| 62484,Cs,Cs,-6.5536,Ap,25.0,-0.8509,App,10.0,-439.01139512,2.12057 |
| 39720,Cs,Cs,-5.9394,App,8.0,0.1734,App,9.0,-384.46860951,1.87662 |
| 100133,Cs,Cs,-6.843,Ap,25.0,1.7804,Ap,26.0,-352.26807477,0.88943 |
| 26227,Cs,Cs,-5.1793,App,9.0,1.4364,App,10.0,-419.11631926,2.49044 |
| 99025,Cs,Cs,-6.9561,Ap,26.0,0.6598,App,11.0,-425.3816375,1.75298 |
| 105510,Cs,Cs,-6.2361,Ap,24.0,1.9768,Ap,25.0,-425.2927419,3.54849 |
| 4429,Cs,Cs,-5.6345,App,6.0,0.8004,App,7.0,-399.69197654,4.44605 |
| 697,D2,C2,-5.996,A,12.0,1.8096,B,11.0,-265.19359892,1.73037 |
| 8331,Cs,Cs,-6.2953,App,9.0,2.2726,Ap,23.0,-348.90198757,1.73764 |
| 30206,Cs,Cs,-5.7294,App,12.0,0.7127,Ap,22.0,-385.81536845,1.32676 |
| 63135,Cs,Cs,-6.1544,Ap,22.0,0.8038,App,13.0,-351.09589516,0.22899 |
| 213,D6h,D6h,-6.6171,B2g,1.0,0.2115,B1u,2.0,-232.08957531,0.0 |
| 41371,Cs,Cs,-6.3752,Ap,20.0,2.2773,Ap,21.0,-351.07245551,0.14188 |
| 37077,C2v,C2v,-6.8717,B2,9.0,2.0196,B1,8.0,-458.78037776,2.02626 |
| 123065,Cs,Cs,-6.4558,Ap,28.0,0.8956,App,9.0,-405.45835127,3.04067 |
| 48861,Cs,Cs,-6.6443,Ap,23.0,-0.4362,App,11.0,-385.79863192,2.87938 |
| 66360,Cs,Cs,-6.6961,App,11.0,1.6695,Ap,24.0,-422.85762486,2.08734 |
| 124457,Cs,C1,-6.5053,,,0.7615,,,-399.23863657,6.50109 |
| 119079,Cs,Cs,-6.44,Ap,26.0,2.108,Ap,27.0,-389.40288143,1.98993 |
| 57292,Cs,Cs,-6.5985,App,9.0,1.2912,Ap,25.0,-349.80219381,0.60979 |
| 338,Cs,Cs,-6.896,App,9.0,-1.4699,Ap,15.0,-306.27677815,3.07147 |
| 84358,Cs,Cs,-5.572,App,9.0,0.1814,App,10.0,-403.08635448,3.01379 |
| 33516,Cs,Cs,-6.6333,Ap,22.0,0.5867,App,10.0,-347.35985844,0.77166 |
| 17971,Cs,Cs,-7.6599,App,13.0,2.2551,Ap,20.0,-314.25151804,0.04377 |
| 124505,Cs,Cs,-5.7376,App,9.0,0.9626,App,10.0,-419.10625681,2.58253 |
| 14787,C2h,C2h,-7.9472,Ag,13.0,2.5773,Ag,14.0,-315.46719474,0.0 |
| 8211,Cs,Cs,-6.6633,Ap,19.0,2.3295,Ap,20.0,-384.82628121,2.70981 |
| 123750,Cs,Cs,-8.4454,Ap,25.0,-1.1452,App,9.0,-430.03383179,5.29661 |
| 46,D2d,D2d,-8.0368,B2,4.0,2.7267,A,6.0,-157.09391672,0.0 |
| 860,C2v,C2v,-4.9264,A2,2.0,1.4623,B1,4.0,-288.61004365,1.94126 |
| 33388,D1d,C3v,-9.1269,App,9.0,-1.161,Ap,21.0,-393.08091815,3.83879 |
| 42336,Cs,C1,-6.1985,,,0.9045,,,-403.03916645,3.80874 |
| 20373,Cs,Cs,-6.6208,Ap,22.0,0.5426,App,8.0,-358.71025459,6.26017 |
| 77676,Cs,Cs,-6.4409,Ap,22.0,2.3429,Ap,23.0,-388.20811857,1.67278 |
| 5880,Cs,C1,-6.449,,,1.108,,,-348.88316932,1.42152 |
| 117646,Cs,C1,-6.4883,,,1.0619,,,-441.39420466,2.38236 |
| 24986,C2v,Cs,-5.2167,Ap,21.0,1.1637,App,13.0,-453.81173957,1.95599 |
| 98080,Cs,Cs,-6.315,Ap,28.0,-0.6631,App,8.0,-456.25909086,0.61404 |
| 127537,Cs,Cs,-6.1609,Ap,21.0,-0.0353,Ap,22.0,-414.03936165,1.25064 |
| 127973,Cs,Cs,-5.5728,App,7.0,0.4385,App,8.0,-435.12195977,3.97678 |
| 1347,Cs,Cs,-6.144,App,8.0,0.6432,App,9.0,-309.65020608,1.48364 |
| 86302,Cs,Cs,-6.405,App,12.0,1.9942,Ap,24.0,-388.17718851,2.12105 |
| 990,C2,C2,-4.4982,B,12.0,1.8938,B,13.0,-320.65984938,1.33585 |
| 44517,Cs,Cs,-7.2767,Ap,25.0,0.7686,App,9.0,-473.60649035,4.57796 |
| 123954,C2,C2,-5.9855,B,15.0,0.0967,B,16.0,-469.80966803,1.87288 |
| 10776,Cs,Cs,-5.6649,Ap,20.0,-0.4753,Ap,21.0,-364.95861978,2.57726 |
| 6045,Cs,Cs,-6.4123,Ap,23.0,1.1794,App,10.0,-402.11706205,3.29944 |
| 133531,Cs,Cs,-8.3115,Ap,24.0,2.4867,Ap,25.0,-533.29829696,2.04336 |
| 122293,Cs,Cs,-5.9809,Ap,25.0,2.1573,Ap,26.0,-404.15881044,3.20526 |
| 24981,Cs,Cs,-4.8648,Ap,21.0,1.5169,App,13.0,-417.93397268,4.04206 |
| 119356,Cs,Cs,-6.702,App,10.0,2.6095,Ap,26.0,-388.15074467,0.92426 |
| 26649,C2v,C2v,-4.748,A2,3.0,1.5884,B1,5.0,-367.18502815,1.67074 |
| 42124,C2,C2,-6.3407,B,16.0,1.186,B,17.0,-386.94993182,0.48614 |
| 124452,Cs,Cs,-8.0231,App,9.0,-0.9901,App,10.0,-419.05167855,3.85549 |
| 5971,Cs,Cs,-7.2978,App,9.0,1.0935,Ap,23.0,-364.97525116,3.77658 |
| 123245,C2v,C2v,-7.8645,B2,13.0,2.5634,A1,16.0,-354.75113191,0.05433 |
| 6032,Cs,Cs,-4.4981,Ap,23.0,-0.7137,Ap,24.0,-402.05236099,14.42243 |
| 57378,Cs,Cs,-6.1816,App,12.0,2.2563,Ap,24.0,-388.14802362,1.7609 |
| 38644,C2,C2,-5.969,B,16.0,0.6275,A,18.0,-385.77828817,1.34211 |
| 122835,Cs,Cs,-6.9781,App,8.0,0.5445,App,9.0,-461.25419965,2.43876 |
| 17703,C2,C2,-7.4928,A,16.0,2.7908,B,15.0,-311.72991063,0.00661 |
| 12698,Cs,Cs,-7.8056,App,13.0,2.1223,Ap,20.0,-314.25911407,0.13719 |
| 1305,Cs,Cs,-6.8076,Ap,19.0,-0.7178,App,9.0,-345.55124612,0.97267 |
| 121578,Cs,C1,-6.7744,,,-1.1908,,,-422.87112775,2.48203 |
| 1821,C2v,C2v,-7.3375,B1,9.0,-2.5705,A2,2.0,-359.23595648,1.46419 |
| 57358,Cs,Cs,-6.5337,Ap,24.0,1.7916,Ap,25.0,-461.19963182,2.13441 |
| 5924,Cs,Cs,-7.8778,Ap,22.0,-0.2499,App,9.0,-399.68687649,5.07379 |
| 48245,Cs,Cs,-7.0995,Ap,26.0,-0.9391,App,9.0,-438.97626327,3.48616 |
| 5921,Cs,Cs,-6.9507,App,8.0,0.7529,App,9.0,-363.70102794,3.87796 |
| 42282,Cs,Cs,-6.3946,App,6.0,-0.536,App,7.0,-400.59496004,4.09104 |
| 2728,C2v,C2v,-6.689,A2,3.0,2.4786,A1,13.0,-347.95136848,2.17042 |
| 59206,Cs,Cs,-5.8939,Ap,22.0,0.6806,App,13.0,-351.0507647,0.25377 |
| 132228,Cs,C2v,-8.1234,B1,11.0,-1.7681,B2,5.0,-573.65903481,3.91502 |
| 63377,Cs,Cs,-7.926,Ap,25.0,1.1659,Ap,26.0,-367.14593895,4.0192 |
| 20536,Cs,Cs,-7.2412,App,8.0,-0.8356,App,9.0,-379.78741833,4.16903 |
| 8616,Cs,Cs,-8.2727,Ap,19.0,-2.176,App,10.0,-377.38264088,2.09816 |
| 121633,Cs,Cs,-6.2882,App,8.0,1.0457,App,9.0,-441.38699581,4.77628 |
| 3654,Cs,Cs,-6.9316,App,5.0,-0.7402,App,6.0,-340.51047463,4.20854 |
| 11964,Cs,Cs,-5.9563,App,11.0,2.3313,Ap,21.0,-348.89190146,1.80853 |
| 132,C2v,C2v,-8.3613,B2,7.0,2.6398,A1,10.0,-197.61568696,0.05459 |
| 64197,Cs,Cs,-6.3553,App,12.0,2.2308,Ap,24.0,-388.18543421,1.86122 |
| 100127,Cs,Cs,-7.4228,App,10.0,1.2005,Ap,26.0,-404.26020056,3.97502 |
| 117625,Cs,Cs,-6.4969,App,10.0,1.7888,Ap,26.0,-388.17089767,1.18728 |
| 68413,Cs,Cs,-6.5037,App,11.0,2.1419,Ap,24.0,-386.96294119,1.53782 |
| 2639,Cs,Cs,-6.8853,Ap,15.0,-1.0613,Ap,16.0,-361.58306391,0.57368 |
| 19082,C2v,C2v,-6.9402,A1,11.0,2.3284,A1,12.0,-311.78604497,0.26887 |
| 106,C2v,C2v,-7.0492,B2,2.0,1.0874,A1,9.0,-192.65347155,0.46919 |
| 98981,C2v,C2v,-6.4746,B2,13.0,-0.3497,A2,4.0,-440.22345861,5.656 |
| 26022,Cs,Cs,-5.3529,App,10.0,-0.4831,App,11.0,-401.86326739,3.87325 |
| 1146,C2v,C2v,-6.7474,B1,6.0,2.401,A1,11.0,-310.85378986,1.88007 |
| 121726,Cs,Cs,-6.511,Ap,28.0,-0.1152,App,9.0,-425.34235925,3.86183 |
| 220,Cs,Cs,-7.1304,Ap,16.0,1.0315,Ap,17.0,-266.5521747,2.69089 |
| 128459,Cs,Cs,-8.7077,Ap,27.0,-2.4062,App,7.0,-501.86893352,5.0654 |
| 53484,Cs,C1,-6.5385,,,1.331,,,-349.80829631,0.88015 |
| 62648,Cs,Cs,-7.3405,Ap,23.0,2.4869,Ap,24.0,-351.01912297,0.23921 |
| 57223,Cs,Cs,-6.5453,App,8.0,-0.3222,Ap,24.0,-347.33297325,0.89914 |
| 83534,Cs,Cs,-7.3393,App,11.0,2.4001,Ap,25.0,-352.29425372,0.09918 |
| 84372,Cs,Cs,-6.3082,Ap,22.0,0.9177,App,14.0,-352.31757498,0.0839 |
| 17848,Cs,Cs,-6.512,Ap,22.0,2.1646,Ap,23.0,-383.51022073,1.99409 |
| 133862,C2v,C2v,-5.375,A1,12.0,-0.2864,A1,13.0,-349.70124138,0.49235 |
| 10375,C2v,C2v,-7.9725,B2,8.0,-0.6886,B1,6.0,-377.35097632,2.53646 |
| 3262,Cs,Cs,-6.2217,Ap,16.0,0.6797,App,12.0,-309.64345149,1.0421 |
| 1431,Cs,C1,-6.7869,,,-1.0831,,,-308.41948211,3.47096 |
| 5957,Cs,Cs,-6.9371,Ap,22.0,1.7523,Ap,23.0,-348.87351641,1.9422 |
| 49315,Cs,Cs,-6.7231,Ap,27.0,-2.2935,App,6.0,-432.73505436,6.31575 |
| 44926,C2,C2,-6.6133,B,16.0,-1.1363,A,18.0,-457.62924129,0.86584 |
| 2020,C2v,C2v,-6.4805,B2,6.0,-0.4577,B1,6.0,-308.41455429,2.76063 |
| 10371,Cs,Cs,-8.7682,App,7.0,-0.1895,App,8.0,-341.46871355,4.7782 |
| 53731,Cs,Cs,-6.6734,Ap,25.0,-1.0193,App,9.0,-385.7528474,3.86849 |
| 55740,Cs,Cs,-5.9471,Ap,25.0,-0.386,App,10.0,-402.97445555,3.99888 |
| 57360,Cs,Cs,-7.5725,App,11.0,1.1484,Ap,24.0,-367.13607569,4.07139 |
| 58720,Cs,Cs,-5.6093,Ap,24.0,-0.7751,App,12.0,-440.11423508,1.02635 |
| 56223,C2v,C2,-6.4416,B,17.0,-0.2356,B,18.0,-424.15745038,5.13108 |
| 37657,C2v,C2v,-6.5646,A2,4.0,2.3773,A1,14.0,-348.65400247,0.00013 |
| 7195,Cs,Cs,-6.9592,App,14.0,2.0592,Ap,20.0,-351.36107012,1.39099 |
| 14583,D2,C2,-7.7742,A,14.0,-2.8132,A,15.0,-379.91301784,2.47944 |
| 52925,C3v,C3,-6.3535,A,33.0,1.6465,A,34.0,-349.80319409,0.01613 |
| 2046,Cs,Cs,-6.5976,Ap,18.0,2.6475,Ap,19.0,-273.70880358,0.1673 |
| 106410,Cs,Cs,-7.0164,App,11.0,2.7016,Ap,24.0,-351.01900632,0.22899 |
| 41306,C2,C2,-6.0455,A,18.0,2.125,B,16.0,-385.67849613,1.96883 |
| 73297,C2,C2,-6.7416,A,18.0,2.159,A,19.0,-422.85052628,1.82524 |
| 24841,C2v,C2v,-6.6485,A1,15.0,-2.1846,B1,4.0,-456.40239665,5.69933 |
| 66377,Cs,Cs,-6.4801,Ap,24.0,-0.4054,App,12.0,-388.24223472,2.82333 |
| 63513,Cs,Cs,-6.651,App,11.0,2.5865,Ap,24.0,-386.92631654,1.82844 |
| 390,Cs,Cs,-8.1573,App,10.0,2.4218,Ap,16.0,-236.89728314,0.05667 |
| 58749,Cs,C1,-5.3167,,,0.4618,,,-402.98379531,2.27592 |
| 70812,C2,C2,-5.7058,B,16.0,0.4762,A,18.0,-421.61287567,1.99211 |
| 26147,Cs,Cs,-5.1302,App,9.0,1.6091,App,10.0,-383.20365841,1.08586 |
| 7580,Cs,Cs,-6.7268,Ap,21.0,1.6447,Ap,22.0,-386.01960883,0.78438 |
| 6566,Cs,Cs,-6.0249,Ap,21.0,2.5492,Ap,22.0,-348.87516526,1.88101 |
| 57680,Cs,Cs,-6.8359,Ap,24.0,1.4753,Ap,25.0,-349.79280292,0.70149 |
| 133786,Cs,Cs,-7.4313,Ap,26.0,-1.2395,App,11.0,-569.21683414,2.49511 |
| 59212,Cs,Cs,-6.4147,Ap,22.0,2.1833,Ap,23.0,-388.19314123,1.90973 |
| 11559,Cs,Cs,-5.9859,App,8.0,0.9925,App,9.0,-364.95626898,0.69912 |
| 39575,C2,C2,-6.291,A,17.0,0.9841,A,18.0,-349.9037752,0.12626 |
| 9736,Cs,Cs,-6.5224,Ap,21.0,-0.3364,App,11.0,-348.95224592,2.82854 |
| 13158,Cs,Cs,-7.1673,App,6.0,-1.1884,App,7.0,-378.59910142,5.64966 |
| 27901,Cs,Cs,-4.8288,App,13.0,1.1964,App,14.0,-398.0570767,1.1506 |
| 23988,C2v,C2v,-5.7273,A2,2.0,-1.0845,B2,4.0,-382.08356221,0.96228 |
| 19092,D2,C2,-5.2712,A,15.0,1.8265,B,15.0,-342.55762695,0.14185 |
| 73807,Cs,Cs,-5.363,App,9.0,1.0134,App,10.0,-351.07064863,0.19507 |
| 1820,C2v,C2v,-6.7859,B1,9.0,-2.5476,A2,2.0,-343.16760452,1.60116 |
| 26106,Cs,Cs,-5.8125,App,9.0,1.1466,App,10.0,-383.21476479,4.29778 |
| 47867,C2,C2,-7.0824,A,18.0,-0.3119,B,17.0,-454.99125416,5.1845 |
| 126831,Cs,Cs,-6.6963,App,11.0,-2.6521,App,12.0,-465.9252844,5.74382 |
| 123249,Cs,Cs,-6.6267,App,9.0,2.5562,Ap,29.0,-390.64091151,0.8582 |
| 2388,Cs,Cs,-6.4592,App,8.0,2.0336,Ap,20.0,-309.60518767,2.07783 |
| 74480,Cs,Cs,-6.2573,Ap,25.0,-0.9072,App,9.0,-385.80802309,3.42955 |
| 5874,Cs,Cs,-6.8231,Ap,23.0,-0.5509,App,10.0,-386.04758151,3.15534 |
| 133781,Cs,Cs,-6.9959,App,10.0,0.4156,App,11.0,-585.23400506,1.94283 |
| 168,C2v,C2v,-7.3837,B2,2.0,-0.0304,B2,3.0,-242.09059225,0.04208 |
| 121804,Cs,C1,-6.6619,,,1.4464,,,-388.15937724,1.37789 |
| 48538,Cs,Cs,-6.5005,Ap,23.0,-0.5389,App,11.0,-385.74537631,2.91218 |
| 63255,C2v,C2v,-7.5055,A1,15.0,-1.1775,B1,7.0,-455.01979068,1.8 |
| 119357,Cs,Cs,-6.1531,App,10.0,2.206,Ap,26.0,-424.03884657,1.05424 |
| 528,Cs,Cs,-7.5753,App,5.0,0.3967,Ap,19.0,-286.40209457,4.59561 |
| 3888,C2,C2,-6.3255,B,12.0,-0.3955,B,13.0,-372.55851094,4.7329 |
| 5844,Cs,Cs,-7.0619,Ap,23.0,0.5775,App,10.0,-386.08804599,1.72515 |
| 73815,Cs,Cs,-5.3792,App,9.0,0.8443,App,10.0,-386.98883701,1.83757 |
| 85,C2v,C2v,-7.0523,B2,4.0,2.5788,A1,10.0,-196.37956622,0.09897 |
| 59784,Cs,Cs,-6.8259,App,14.0,2.234,Ap,23.0,-425.33455219,2.08698 |
| 73820,C2v,C2v,-5.711,B2,6.0,0.3513,A2,3.0,-385.70680832,2.31311 |
| 226,Cs,Cs,-7.0002,App,8.0,2.0692,Ap,18.0,-308.6846719,0.2025 |
| 20555,Cs,C1,-7.4646,,,-0.1691,,,-375.97071173,6.15747 |
| 19116,D1d,C3v,-5.5181,Ap,19.0,1.4843,Ap,20.0,-325.27729084,1.93225 |
| 3238,C2,C2,-7.1165,B,13.0,2.81,A,15.0,-273.70567963,0.07096 |
| 5110,Cs,Cs,-4.3805,App,12.0,1.8386,Ap,19.0,-359.94799657,1.55782 |
| 53735,Cs,C1,-6.6483,,,-0.2849,,,-401.80605255,4.33649 |
| 2001,C3v,C3v,-6.8828,Ap,18.0,1.4161,App,8.0,-271.21616249,0.59914 |
| 53443,Cs,C1,-6.3665,,,1.9573,,,-351.08864227,0.09364 |
| 2686,Cs,Cs,-6.4144,Ap,21.0,1.8851,Ap,22.0,-273.71775039,0.1206 |
| 10795,C2,C2,-6.7215,B,15.0,0.5135,A,16.0,-415.77621397,0.85699 |
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| 14789,Cs,Cs,-6.6765,App,8.0,2.5446,Ap,26.0,-351.35174159,1.0931 |
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| 59371,Cs,Cs,-8.0394,Ap,23.0,1.0466,Ap,24.0,-367.14266584,4.23505 |
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| 1667,Cs,Cs,-6.3149,App,6.0,1.8166,App,7.0,-362.84331675,2.25697 |
| 50994,Cs,Cs,-6.4446,App,10.0,0.6585,App,11.0,-402.98661071,3.36449 |
| 129096,C2,C2,-7.4921,B,15.0,-2.4457,B,16.0,-448.62035738,0.64994 |
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| 26174,Cs,Cs,-5.0541,App,9.0,1.6054,App,10.0,-367.17519464,1.64796 |
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| 7249,Cs,Cs,-6.4385,App,6.0,0.867,App,7.0,-363.73274965,3.92442 |
| 29694,Cs,Cs,-4.8268,App,7.0,1.0937,App,8.0,-419.1290029,3.1412 |
| 19117,D2h,D3d,-5.3185,Ag,10.0,0.759,Bu,10.0,-341.3020865,0.0 |
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| 48241,Cs,Cs,-6.7567,App,13.0,-1.2665,Ap,22.0,-422.89508305,2.93588 |
| 2560,C2v,C2v,-8.3287,B2,4.0,-0.3623,A1,12.0,-302.18247609,4.71539 |
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| 123082,Cs,Cs,-6.5056,Ap,28.0,-0.1255,App,9.0,-425.34208706,4.04199 |
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| 77390,Cs,Cs,-7.256,App,11.0,2.5777,Ap,24.0,-351.02477381,0.16123 |
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| 99427,Cs,Cs,-6.9847,App,10.0,0.8433,Ap,22.0,-383.186393,1.86255 |
| 39611,D2,C2,-7.1652,B,16.0,0.1753,A,18.0,-453.80676323,0.37696 |
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| 124448,Cs,Cs,-6.8989,App,9.0,0.1429,App,10.0,-399.23251183,0.4431 |
| 67,Cs,Cs,-6.6404,Ap,14.0,-0.4169,App,7.0,-232.30700737,2.72009 |
| 8202,Cs,Cs,-6.5942,Ap,19.0,2.4508,Ap,20.0,-313.03318392,0.13699 |
| 2569,Cs,Cs,-6.7669,Ap,20.0,-0.8552,App,7.0,-344.33945551,3.08744 |
| 58446,Cs,Cs,-6.3823,App,12.0,-0.3273,Ap,24.0,-388.22108683,3.02071 |
| 25433,C2v,C2v,-7.1476,A2,2.0,-1.9229,A2,3.0,-456.41682204,1.35924 |
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| 17738,Cs,Cs,-6.8039,App,8.0,2.933,Ap,22.0,-346.38410579,1.94548 |
| 68398,Cs,Cs,-5.9443,Ap,23.0,1.8005,Ap,24.0,-404.21262264,1.05929 |
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| 17732,C2v,C2v,-6.8416,B2,7.0,3.0959,B1,7.0,-310.48483527,0.08289 |
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| 57551,Cs,Cs,-7.5626,App,10.0,0.3741,Ap,26.0,-404.25511377,4.395 |
| 6691,Cs,Cs,-7.3817,Ap,23.0,-0.5373,App,9.0,-400.89666103,4.2669 |
| 5812,C2h,C2h,-6.8525,Bg,6.0,1.9637,Ag,12.0,-387.25679971,0.0 |
| 8393,Cs,Cs,-5.9606,Ap,22.0,-0.6089,App,9.0,-363.68602557,2.30475 |
| 63213,Cs,Cs,-6.2847,App,11.0,0.8135,App,12.0,-403.03974583,1.58373 |
| 26946,Cs,Cs,-5.4601,App,8.0,1.0359,App,9.0,-398.01242114,2.88404 |
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| 24845,C2,C2,-6.5882,B,15.0,-2.8799,B,16.0,-428.88053419,3.71633 |
| 123189,Cs,Cs,-8.3342,Ap,27.0,1.1501,Ap,28.0,-368.37436968,4.22798 |
| 63337,Cs,Cs,-6.995,App,9.0,-0.1634,App,10.0,-455.05308001,1.28466 |
| 68109,Cs,Cs,-6.0328,Ap,23.0,2.5711,Ap,24.0,-367.05238378,1.21107 |
| 108,C2v,C2v,-9.4307,B2,2.0,-0.2902,A1,9.0,-224.84509873,3.68947 |
| 5329,Cs,Cs,-5.8261,App,8.0,1.1235,App,9.0,-343.93135041,4.19402 |
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| 25711,Cs,C1,-5.3439,,,1.0679,,,-364.69455755,2.19176 |
| 109227,Cs,Cs,-6.5723,App,9.0,0.6158,App,10.0,-438.93478084,3.50774 |
| 39612,C3v,C3v,-6.1129,App,14.0,0.4799,App,15.0,-349.86399383,0.01165 |
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| 8504,Cs,Cs,-6.1828,Ap,20.0,1.9243,Ap,21.0,-363.6455741,1.51148 |
| 59813,Cs,C1,-6.9929,,,-0.397,,,-440.20016311,0.40804 |
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| 37821,C2,C2,-6.4508,B,15.0,2.4566,B,16.0,-385.67878485,1.67964 |
| 109485,Cs,Cs,-6.9111,App,13.0,-0.3412,App,14.0,-439.04019941,1.37817 |
| 63334,Cs,Cs,-7.3361,App,9.0,0.0789,App,10.0,-455.0583319,3.54695 |
| 5861,Cs,Cs,-7.5661,App,8.0,-1.0921,Ap,22.0,-362.51400412,6.03169 |
| 36970,C2,C2,-6.5451,B,17.0,1.9829,A,19.0,-420.21140979,4.17516 |
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| 105111,Cs,Cs,-6.5488,Ap,24.0,2.0094,Ap,25.0,-424.05550802,0.67167 |
| 128853,Cs,Cs,-6.6757,App,11.0,0.535,Ap,24.0,-435.12039487,5.87906 |
| 68297,Cs,Cs,-6.5965,Ap,23.0,1.8034,Ap,24.0,-438.8312493,3.57759 |
| 57349,Cs,Cs,-7.3661,Ap,24.0,2.0756,Ap,25.0,-353.508476,0.03068 |
| 26171,Cs,Cs,-4.7295,App,9.0,1.8265,App,10.0,-419.08541081,0.18049 |
| 78390,Cs,Cs,-5.3328,Ap,24.0,2.2645,App,11.0,-351.00390221,0.10804 |
| 60780,Cs,Cs,-6.8513,App,10.0,0.2917,Ap,23.0,-400.52963217,3.45446 |
| 128855,Cs,Cs,-7.008,Ap,23.0,0.0233,Ap,24.0,-435.11572088,1.29111 |
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| 33719,Cs,C2v,-6.5702,B1,6.0,0.0587,A1,15.0,-383.19154165,2.05974 |
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| 133523,Cs,Cs,-9.0427,App,12.0,0.6157,Ap,24.0,-548.14617668,3.65961 |
| 14267,C2v,C2v,-6.2608,B2,6.0,1.1604,A2,3.0,-311.80749227,0.18743 |
| 217,D3h,D3h,-7.4937,B1,7.0,-1.4577,B2,3.0,-280.20268596,0.0 |
| 8392,Cs,Cs,-6.6541,App,8.0,-0.5962,App,9.0,-383.56070977,1.78992 |
| 9364,Cs,C1,-6.8255,,,0.4811,,,-421.97255611,0.62996 |
| 24707,C2v,C2v,-6.2243,B2,4.0,-1.0908,B2,5.0,-452.60921632,1.00552 |
| 5268,Cs,Cs,-5.2977,App,10.0,1.43,Ap,21.0,-327.88214863,2.17873 |
| 41397,C2,C2,-6.6817,B,16.0,-0.1521,A,18.0,-421.64314353,0.36015 |
| 10823,Cs,Cs,-6.2602,App,11.0,-0.1872,Ap,21.0,-348.97244746,3.06544 |
| 8746,C2,C2,-6.9763,A,15.0,0.4723,A,16.0,-382.28698875,1.77083 |
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| 10007,Cs,Cs,-6.7433,App,10.0,-1.6316,Ap,20.0,-382.37682671,4.34014 |
| 2104,Cs,Cs,-6.5245,Ap,18.0,2.5514,Ap,19.0,-310.87567312,1.38754 |
| 4169,Cs,Cs,-6.1056,App,8.0,0.3047,App,9.0,-363.6803746,0.87873 |
| 424,Cs,Cs,-6.463,App,5.0,1.1789,App,6.0,-286.42683079,3.64546 |
| 102612,Cs,Cs,-6.4209,Ap,24.0,1.1616,App,13.0,-405.51171864,3.40779 |
| 23881,Cs,C1,-7.4679,,,-1.2561,,,-529.93295907,2.42929 |
| 42285,Cs,Cs,-6.9899,App,6.0,-1.2279,App,7.0,-416.68845139,5.49182 |
| 5328,Cs,C1,-5.275,,,1.5345,,,-327.88342535,2.19312 |
| 1,C3v,C3v,-6.7941,Ap,4.0,2.2748,Ap,5.0,-56.51025604,1.91793 |
| 57514,Cs,Cs,-7.1178,Ap,26.0,-1.8874,App,10.0,-440.17511138,2.51151 |
| 48574,D2,C1,-6.6532,,,-1.0857,,,-421.64353085,1.72329 |
| 126135,Cs,Cs,-7.5936,Ap,27.0,-1.496,App,7.0,-433.94096954,3.01362 |
| 22167,Cs,Cs,-6.3146,App,9.0,0.4564,App,10.0,-403.00830849,0.42104 |
| 68115,Cs,Cs,-6.1369,Ap,23.0,2.2175,Ap,24.0,-402.94506279,0.39616 |
| 94836,Cs,Cs,-6.8428,App,12.0,2.5119,Ap,24.0,-424.10840444,1.63273 |
| 93844,Cs,Cs,-6.8506,App,14.0,1.9129,Ap,23.0,-425.32941,2.81636 |
| 4230,Cs,Cs,-7.5362,Ap,20.0,-1.3296,App,9.0,-490.64758575,2.38576 |
| 63247,C2,C2,-6.2466,B,16.0,0.8325,A,19.0,-351.09247,0.07527 |
| 100078,Cs,C1,-6.9887,,,1.6716,,,-477.31600042,3.70902 |
| 66799,Cs,Cs,-5.7413,Ap,22.0,1.2355,Ap,23.0,-400.46020539,2.05952 |
| 128302,Cs,Cs,-5.1092,App,15.0,1.2678,Ap,20.0,-431.30574461,5.3787 |
| 70816,Cs,Cs,-5.8752,Ap,23.0,2.4439,Ap,24.0,-367.05299538,1.89375 |
| 77502,Cs,Cs,-6.0297,Ap,24.0,2.5289,Ap,25.0,-388.16160582,1.83636 |
| 133730,Cs,C1,-7.7572,,,0.0595,,,-605.14271787,3.44997 |
| 8524,C2v,C2v,-6.0775,B2,6.0,2.0898,A1,15.0,-347.61201957,2.1727 |
| 123257,Cs,Cs,-6.6593,App,9.0,2.249,Ap,29.0,-426.52829413,2.41563 |
| 121517,Cs,Cs,-6.7472,Ap,27.0,-1.0725,App,8.0,-386.98638279,3.62867 |
| 20756,Cs,Cs,-6.3937,App,6.0,0.2302,App,7.0,-363.77233551,3.31241 |
| 63449,Cs,Cs,-6.8905,Ap,19.0,0.0634,Ap,20.0,-384.46023885,1.93214 |
| 127533,Cs,Cs,-6.2999,Ap,21.0,0.0903,Ap,22.0,-398.02294565,0.3944 |
| 7630,Cs,Cs,-6.4135,App,11.0,-0.3313,Ap,21.0,-348.938904,2.96068 |
| 58737,Cs,Cs,-7.5103,Ap,23.0,2.45,Ap,24.0,-352.26744907,0.05843 |
| 43180,C2,C2,-6.2203,B,15.0,-0.3198,B,16.0,-385.7522892,3.13424 |
| 8210,Cs,Cs,-6.1413,Ap,19.0,2.04,Ap,20.0,-364.95208045,3.29401 |
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| 8672,Cs,Cs,-8.3516,App,11.0,1.2948,App,12.0,-329.08867817,3.82839 |
| 77394,Cs,Cs,-6.0037,App,11.0,2.3962,Ap,24.0,-386.9107218,2.05043 |
| 26294,Cs,Cs,-5.6682,App,9.0,0.8897,App,10.0,-439.00570252,4.7202 |
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| 41426,C2v,C2v,-7.3067,B2,6.0,2.9153,A1,15.0,-349.85207779,0.12945 |
| 121632,Cs,C1,-6.2851,,,1.0516,,,-441.38140686,4.3033 |
| 132953,C2v,C2v,-6.9093,B2,4.0,-1.5143,B2,5.0,-541.54125405,4.55668 |
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| 86460,C3v,C3v,-7.7065,Ap,22.0,2.4012,Ap,23.0,-353.55703515,0.16309 |
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| 5862,Cs,C1,-7.0327,,,-1.4404,,,-347.69015443,3.90249 |
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| 100126,Cs,Cs,-6.886,Ap,25.0,1.7905,Ap,26.0,-388.15939625,1.47595 |
| 33390,Cs,Cs,-6.9032,Ap,20.0,1.1053,Ap,21.0,-348.55646883,0.74712 |
| 36030,Cs,Cs,-6.5928,App,10.0,1.6141,Ap,24.0,-349.79446246,0.52978 |
| 107760,Cs,Cs,-6.4764,App,11.0,2.5145,Ap,24.0,-386.99149347,1.15186 |
| 73863,Cs,Cs,-5.7775,Ap,21.0,1.1673,App,14.0,-351.09624053,0.32807 |
| 97360,Cs,C1,-6.8337,,,-0.911,,,-440.15758366,2.97202 |
| 108194,Cs,Cs,-7.5349,App,12.0,2.1898,Ap,24.0,-352.33551194,0.05304 |
| 123251,C2v,C2v,-6.6216,B1,5.0,2.5618,A1,16.0,-390.64074297,0.95091 |
| 73797,Cs,Cs,-5.8623,App,10.0,0.9232,App,11.0,-388.23071563,1.8069 |
| 124319,Cs,Cs,-7.6664,Ap,23.0,-1.2439,Ap,24.0,-465.96036044,6.80448 |
| 22205,Cs,C1,-6.019,,,-0.4195,,,-402.96870696,0.91153 |
| 23865,D3d,D3d,-10.3594,Ag,11.0,2.7309,Au,7.0,-674.99768513,0.0 |
| 121,Cs,Cs,-8.5906,Ap,15.0,1.1026,Ap,16.0,-211.23880706,4.03085 |
| 13916,Cs,Cs,-6.9298,Ap,22.0,0.4056,App,9.0,-399.62573421,2.50609 |
| 40852,Cs,Cs,-6.0924,Ap,23.0,2.309,Ap,24.0,-385.66107345,2.14419 |
| 73857,Cs,Cs,-5.766,Ap,22.0,1.1661,App,14.0,-352.3345558,0.22338 |
| 50163,Cs,C1,-6.6501,,,0.6287,,,-438.92039742,2.72979 |
| 37916,C2v,C2v,-6.2474,B2,6.0,1.2053,A2,3.0,-349.82552303,0.04893 |
| 20375,Cs,Cs,-6.5809,App,7.0,0.0813,App,8.0,-358.70803007,0.62107 |
| 73688,Cs,Cs,-6.8258,App,14.0,2.2237,Ap,22.0,-388.23851821,1.27883 |
| 124502,Cs,Cs,-6.6267,App,9.0,0.1561,App,10.0,-403.05159602,2.93857 |
| 39,Cs,Cs,-7.0098,App,4.0,2.2834,Ap,14.0,-194.21936088,1.47012 |
| 316,Cs,Cs,-6.1589,App,7.0,2.9029,Ap,17.0,-270.29535055,1.92085 |
| 6365,Cs,C1,-6.7906,,,0.7279,,,-402.12089713,4.50407 |
| 24009,C2v,C2v,-7.0631,A2,2.0,-0.9712,A2,3.0,-394.42369427,8.88306 |
| 63389,Cs,Cs,-6.5721,Ap,26.0,-0.3708,App,10.0,-388.21495092,2.89475 |
| 118584,Cs,Cs,-6.5629,App,15.0,2.0438,Ap,23.0,-462.41200526,1.61307 |
| 124444,Cs,Cs,-6.8278,App,9.0,0.5544,App,10.0,-399.25627379,3.05968 |
| 9168,Cs,Cs,-6.6446,App,6.0,0.5022,App,7.0,-383.61787838,1.36586 |
| 2720,Cs,Cs,-6.9936,App,7.0,2.2958,Ap,23.0,-312.07082602,1.49496 |
| 44101,C2v,C2v,-6.2951,B1,5.0,-0.5523,B1,6.0,-421.71277984,0.76155 |
| 14175,Cs,Cs,-6.4891,App,10.0,2.7186,Ap,22.0,-384.80764172,1.19703 |
| 1167,Cs,Cs,-7.7123,App,8.0,1.0203,Ap,20.0,-325.69464338,3.6969 |
| 13924,Cs,Cs,-6.4889,Ap,22.0,1.1226,App,9.0,-363.7620218,3.4991 |
| 63733,Cs,Cs,-6.4971,App,11.0,-0.6134,App,12.0,-422.88965022,1.17768 |
| 65042,Cs,Cs,-7.0136,App,10.0,1.0537,Ap,24.0,-365.89861478,4.0722 |
| 57548,Cs,Cs,-8.3741,Ap,25.0,1.1211,Ap,26.0,-368.37240803,4.19055 |
| 133803,Cs,Cs,-7.2342,App,11.0,2.0778,Ap,27.0,-570.41736605,2.14967 |
| 6623,Cs,C1,-6.3732,,,-0.2504,,,-347.70553419,2.74521 |
| 55737,Cs,Cs,-6.3699,Ap,25.0,0.744,App,10.0,-419.00972569,3.05836 |
| 51,C2v,C2v,-6.0154,A2,1.0,0.6696,B2,3.0,-229.88330121,0.60306 |
| 8614,Cs,Cs,-6.8726,Ap,19.0,-0.9777,App,10.0,-345.19546924,1.95482 |
| 99415,Cs,Cs,-9.7764,Ap,21.0,-0.9393,Ap,22.0,-395.58313718,3.96672 |
| 127098,Cs,C1,-5.99,,,-1.1475,,,-414.0577842,5.57759 |
| 5970,Cs,Cs,-6.9016,App,9.0,1.6554,Ap,23.0,-348.87508964,1.04225 |
| 5842,Cs,Cs,-6.3696,Ap,23.0,1.1765,App,10.0,-366.22270649,3.37646 |
| 26266,Cs,Cs,-6.5152,Ap,25.0,-1.1031,App,9.0,-382.01455961,0.68016 |
| 14639,C2h,Ci,-6.3817,Ag,15.0,1.5397,Au,15.0,-310.53591459,0.0 |
| 17,C2v,C2v,-6.5345,B1,5.0,-0.1519,B2,3.0,-193.03447565,2.77776 |
| 122323,Cs,Cs,-6.4266,App,8.0,1.0268,App,9.0,-404.28152887,1.16578 |
| 2572,C2,C2,-7.0162,B,13.0,2.3561,A,16.0,-274.94523431,0.11069 |
| 123247,Cs,Cs,-6.6751,App,9.0,2.5312,Ap,29.0,-390.63559279,1.03834 |
| 11895,Cs,Cs,-5.985,App,8.0,0.8941,App,9.0,-363.76473856,1.06987 |
| 117703,Cs,Cs,-6.5674,Ap,26.0,1.0221,App,11.0,-405.49985262,3.75995 |
| 12587,Cs,Cs,-7.2744,Ap,24.0,-2.4771,App,6.0,-398.52147016,1.12085 |
| 20213,C2v,C2v,-5.7111,B2,9.0,0.8963,A2,4.0,-309.31837377,0.62482 |
| 26173,Cs,Cs,-5.2224,App,9.0,1.0737,App,10.0,-438.94096792,2.46831 |
| 32615,Cs,Cs,-6.5889,App,11.0,-1.0883,App,12.0,-433.96356013,8.83287 |
| 102407,C2,C2,-6.8982,B,18.0,1.4496,A,20.0,-426.52268836,0.32423 |
| 63376,Cs,Cs,-6.754,Ap,25.0,1.6959,Ap,26.0,-351.04502073,0.61717 |
| 52595,Cs,C1,-6.5232,,,0.4237,,,-363.33847334,2.24822 |
| 123262,C2v,C2v,-6.7119,B2,5.0,2.4832,A1,16.0,-426.52003025,2.1349 |
| 14530,Cs,Cs,-6.2678,Ap,21.0,1.6982,Ap,22.0,-384.77529528,3.51462 |
| 8334,Cs,Cs,-5.5997,Ap,22.0,2.3154,Ap,23.0,-364.91916674,2.51436 |
| 26377,Cs,C1,-5.7672,,,0.5415,,,-438.95359922,3.13244 |
| 53995,Cs,C1,-7.1111,,,-1.774,,,-494.73315254,1.1304 |
| 11132,Cs,Cs,-6.3984,Ap,19.0,2.5239,Ap,20.0,-350.1371397,1.57939 |
| 63339,Cs,Cs,-7.2951,App,9.0,0.0185,App,10.0,-455.06238288,2.5407 |
| 14561,D*h,C2v,-6.3545,B1,10.0,-1.9716,A1,12.0,-305.6075163,0.00911 |
| 38367,Cs,Cs,-6.3727,Ap,22.0,2.2153,Ap,23.0,-388.19617182,1.17698 |
| 7005,Cs,Cs,-7.3426,App,11.0,2.2429,Ap,22.0,-314.23667145,0.05811 |
| 27348,C2v,C2v,-6.0798,B1,11.0,-0.6828,B2,5.0,-421.74829474,4.74429 |
| 24574,C2,C2,-5.6402,A,17.0,-0.4128,A,18.0,-416.64274101,0.39132 |
| 2692,Cs,Cs,-8.4752,Ap,21.0,1.1414,Ap,22.0,-289.80663203,4.16556 |
| 45850,Cs,Cs,-5.8829,Ap,19.0,-0.4412,App,15.0,-469.90277296,4.69691 |
| 26668,C2,C2,-4.6547,A,18.0,1.2901,B,17.0,-419.10220843,0.96085 |
| 86191,Cs,Cs,-5.8807,Ap,20.0,0.8909,App,16.0,-388.23302514,1.746 |
| 121753,Cs,Cs,-6.8036,App,8.0,0.5352,App,9.0,-461.26163132,0.85926 |
| 57401,Cs,Cs,-6.2203,Ap,24.0,2.1419,Ap,25.0,-388.12826483,2.0879 |
| 633,Cs,Cs,-7.2982,App,9.0,2.6986,Ap,16.0,-235.66146293,0.02325 |
| 133489,Cs,Cs,-7.2353,Ap,26.0,-3.0549,App,10.0,-603.90544765,2.25436 |
| 53975,Cs,Cs,-6.7689,Ap,26.0,-0.5055,App,10.0,-440.17164068,2.47625 |
| 65087,Cs,Cs,-5.9933,Ap,23.0,1.8023,Ap,24.0,-402.92291998,3.10716 |
| 18895,C2v,C2v,-5.6242,A2,4.0,2.6149,B1,6.0,-310.47947139,0.3204 |
| 47280,Cs,Cs,-6.9811,Ap,19.0,-2.5042,App,15.0,-421.73046294,1.6597 |
| 18980,Cs,Cs,-6.0969,App,10.0,2.0996,Ap,21.0,-347.65769053,2.31194 |
| 70835,C2v,C2v,-5.8171,B1,8.0,2.3151,A1,16.0,-386.9581166,1.94144 |
| 40978,C2,C2,-6.142,B,16.0,0.659,A,18.0,-349.89280854,0.25477 |
| 62468,Cs,Cs,-6.6338,App,11.0,1.0024,App,12.0,-403.0221302,2.54438 |
| 95802,Cs,Cs,-6.371,Ap,22.0,2.1324,Ap,23.0,-389.43868814,1.42712 |
| 124530,Cs,Cs,-6.679,App,9.0,0.5013,App,10.0,-399.25780047,2.85287 |
| 2695,Cs,Cs,-7.558,App,6.0,0.4042,Ap,22.0,-325.68595038,4.63051 |
| 42521,C2,C2,-6.8557,B,14.0,-1.2719,B,15.0,-419.14917035,0.45494 |
| 14798,Cs,Cs,-6.706,App,8.0,2.2442,Ap,26.0,-387.23905508,2.5376 |
| 6732,Cs,Cs,-6.2669,App,5.0,-1.0852,App,6.0,-399.63702994,1.92643 |
| 55751,Cs,C1,-6.5642,,,1.4229,,,-454.95025959,3.51915 |
| 80399,Cs,Cs,-6.8136,Ap,24.0,2.1389,Ap,25.0,-352.30676157,0.11597 |
| 16377,C2v,C2v,-6.1126,A1,13.0,-1.9228,B1,6.0,-382.40964604,4.71967 |
| 100091,Cs,Cs,-4.4239,Ap,26.0,-0.1571,Ap,27.0,-441.33972175,15.19313 |
| 59033,Cs,Cs,-6.4852,App,9.0,-0.5395,App,10.0,-403.0672506,2.89486 |
| 70809,C2v,C2v,-5.7502,B2,8.0,0.4107,A2,3.0,-349.82777855,0.12473 |
| 98653,Cs,C1,-7.0789,,,-1.3686,,,-474.8627639,2.27268 |
| 95777,Cs,Cs,-6.2601,App,14.0,-0.1527,Ap,22.0,-388.25893523,2.74758 |
| 4991,C2v,C2v,-6.1666,B2,3.0,-0.9262,B2,4.0,-414.54878457,1.01281 |
| 28448,Cs,Cs,-6.3312,Ap,27.0,-0.8492,App,7.0,-382.03038214,0.58851 |
| 7431,Cs,Cs,-6.3467,Ap,25.0,-0.7392,App,7.0,-416.97652007,0.80276 |
| 62485,Cs,Cs,-6.9571,Ap,25.0,-1.1966,App,10.0,-458.87023051,1.6354 |
| 813,Cs,Cs,-6.2886,App,5.0,0.4122,App,6.0,-324.43804877,0.59003 |
| 26120,Cs,Cs,-5.6592,App,9.0,0.2522,App,10.0,-438.97885089,0.48006 |
| 12440,Cs,Cs,-6.2513,App,12.0,0.0716,App,13.0,-379.82857887,4.05982 |
| 77719,Cs,Cs,-6.1303,Ap,22.0,2.3524,App,13.0,-386.9565175,1.59486 |
| 5813,D2h,D2h,-7.2798,B3u,6.0,2.1413,Ag,9.0,-314.23749417,0.0 |
| 115499,Cs,Cs,-6.5761,Ap,20.0,2.4118,Ap,21.0,-389.44714207,1.23663 |
| 4222,C3v,C3v,-7.8433,Ap,19.0,0.5249,App,9.0,-453.48010182,3.23549 |
| 10267,Cs,Cs,-6.7635,App,8.0,-0.4204,App,9.0,-381.04340006,1.96587 |
| 73676,Cs,Cs,-7.8048,App,14.0,2.231,Ap,22.0,-352.34113704,0.05277 |
| 42524,C2v,C2v,-6.2221,B2,9.0,-0.3133,B1,7.0,-385.75760704,2.90792 |
| 62859,Cs,Cs,-6.5948,Ap,24.0,2.6294,App,11.0,-386.93118106,1.88158 |
| 54604,Cs,Cs,-6.4227,App,7.0,-1.3404,App,8.0,-422.92635477,0.84113 |
| 1121,Cs,Cs,-6.4214,Ap,20.0,1.178,App,9.0,-326.9447461,3.48921 |
| 64035,Cs,Cs,-5.598,App,9.0,0.1516,App,10.0,-403.07766407,4.07332 |
| 2357,Cs,Cs,-7.6061,Ap,18.0,2.4668,Ap,19.0,-274.94935104,0.0061 |
| 42143,C3,C3,-6.3466,A,36.0,2.1324,A,37.0,-461.19908276,3.12314 |
| 3201,C2,C2,-6.4741,A,14.0,2.6677,A,15.0,-345.54848168,1.41502 |
| 68912,Cs,Cs,-6.2322,Ap,20.0,1.0125,App,15.0,-351.09477041,0.23207 |
| 42053,C2,C2,-5.5774,B,15.0,-0.9439,A,18.0,-348.62135035,1.51612 |
| 17660,Cs,Cs,-6.6099,App,10.0,2.0436,Ap,22.0,-348.89174373,1.51383 |
| 47283,Cs,Cs,-6.1453,Ap,19.0,-2.6244,App,15.0,-437.75250784,0.87483 |
| 42523,C2,C2,-8.4368,B,14.0,-2.4545,B,15.0,-451.33264298,0.03867 |
| 123076,Cs,Cs,-6.4633,App,8.0,1.2916,Ap,28.0,-388.16887032,0.8307 |
| 63353,Cs,Cs,-6.3594,Ap,25.0,0.4892,App,10.0,-403.08955054,3.82805 |
| 57712,Cs,Cs,-6.9086,Ap,25.0,-0.6432,App,10.0,-422.84624846,3.02647 |
| 46196,Cs,Cs,-6.4767,Ap,25.0,0.9132,App,9.0,-401.78526122,3.4868 |
| 58098,C2,C2,-7.7423,B,18.0,2.1307,A,20.0,-354.73598686,0.07301 |
| 41733,C2,C2,-6.5942,B,16.0,2.588,A,19.0,-351.11286955,0.13579 |
| 27399,C2v,C2v,-5.6989,B1,11.0,0.2898,B2,5.0,-473.6890014,4.80574 |
| 128437,Cs,Cs,-8.2362,App,6.0,-2.2023,App,7.0,-481.98201415,3.91284 |
| 23883,Cs,C1,-8.159,,,-0.6297,,,-565.84334544,2.70847 |
| 62861,Cs,Cs,-6.3297,Ap,24.0,2.4215,Ap,25.0,-386.92534668,1.72422 |
| 37823,C2,C2,-6.8962,B,15.0,1.9769,B,16.0,-421.57326849,0.75287 |
| 123184,Cs,Cs,-6.5511,App,8.0,0.8902,App,9.0,-405.46466172,2.98276 |
| 5715,Cs,Cs,-5.7343,App,11.0,0.6741,Ap,19.0,-346.52985053,1.27228 |
| 8800,Cs,Cs,-6.7583,Ap,25.0,-1.7915,App,7.0,-420.78086236,1.25477 |
| 102326,C2v,C2v,-6.9737,B1,8.0,1.0251,A1,15.0,-349.79127925,0.52949 |
| 22169,Cs,Cs,-5.8499,App,9.0,-0.5626,App,10.0,-403.01372813,1.04778 |
| 76337,Cs,Cs,-6.6403,App,12.0,1.6672,Ap,25.0,-389.41085465,1.58506 |
| 65028,Cs,Cs,-6.2314,App,11.0,2.006,Ap,25.0,-388.16816166,1.39492 |
| 42529,C2,C2,-6.5848,B,15.0,-1.0794,B,16.0,-417.80815628,0.27108 |
| 720,C2v,C2v,-6.2294,B1,8.0,-1.2769,A2,2.0,-264.12636329,4.08847 |
| 102383,Cs,C1,-7.4735,,,0.6185,,,-440.15151974,1.98908 |
| 62510,Cs,Cs,-6.3667,Ap,22.0,-0.2753,App,14.0,-388.20990793,3.58414 |
| 65785,Cs,Cs,-6.2588,Ap,22.0,0.9843,App,13.0,-351.07968867,0.10093 |
| 124620,Cs,Cs,-5.8842,App,9.0,0.1422,App,10.0,-435.11173397,3.29829 |
| 26086,Cs,Cs,-5.6852,App,9.0,0.7805,App,10.0,-387.02808007,0.41241 |
| 90452,Cs,Cs,-6.7284,App,11.0,2.3626,Ap,25.0,-352.30994872,0.11103 |
| 26185,Cs,Cs,-5.7243,App,9.0,0.3496,App,10.0,-438.98119864,1.23669 |
| 74520,Cs,Cs,-6.3203,App,9.0,0.8895,App,10.0,-403.05444736,1.00052 |
| 26166,Cs,Cs,-5.6227,App,9.0,0.79,App,10.0,-403.04794069,0.88919 |
| 117689,Cs,Cs,-8.3497,Ap,25.0,0.9928,Ap,26.0,-368.3724311,4.04961 |
| 26950,Cs,Cs,-5.9991,App,8.0,0.2962,App,9.0,-417.86971483,0.36031 |
| 14162,Cs,Cs,-7.3725,App,10.0,2.4204,Ap,22.0,-313.01156856,0.07629 |
| 39630,Cs,Cs,-6.4822,Ap,23.0,2.4036,Ap,24.0,-386.9155791,1.95277 |
| 63226,Cs,Cs,-6.2837,App,9.0,0.3232,App,10.0,-403.0741786,4.18105 |
| 53547,Cs,Cs,-6.4419,Ap,24.0,1.8162,Ap,25.0,-349.79442485,0.21832 |
| 56227,Cs,Cs,-6.8019,Ap,28.0,-0.4226,App,8.0,-460.07857694,4.38882 |
| 62873,C2,C2,-7.3366,B,17.0,2.7539,A,19.0,-352.2265838,0.13033 |
| 128457,Cs,Cs,-7.7002,App,6.0,-1.2128,App,7.0,-469.84410247,1.97032 |
| 18974,Cs,Cs,-7.5245,Ap,20.0,2.6035,Ap,21.0,-311.77444744,0.22408 |
| 99938,Cs,C1,-7.0773,,,-1.4739,,,-422.86214717,2.97366 |
| 20886,Cs,C1,-6.8767,,,0.1416,,,-359.94930927,0.73917 |
| 76204,Cs,Cs,-6.5279,App,14.0,1.8378,Ap,23.0,-389.41597422,1.50933 |
| 12524,Cs,C1,-5.5713,,,-0.401,,,-311.81921327,0.5871 |
| 102405,Cs,Cs,-7.014,App,13.0,1.8933,Ap,25.0,-390.63076248,1.3738 |
| 42726,Cs,Cs,-6.2138,Ap,23.0,0.0001,App,11.0,-385.7712676,3.08863 |
| 39896,C2,C2,-6.3926,A,18.0,2.6096,A,19.0,-422.87603243,1.6295 |
| 40968,Cs,Cs,-6.605,App,12.0,2.0185,Ap,24.0,-424.09940167,0.75054 |
| 62806,Cs,Cs,-6.7473,Ap,22.0,1.3894,Ap,23.0,-349.77933197,0.63486 |
| 66352,Cs,Cs,-6.9527,Ap,23.0,1.0946,Ap,24.0,-403.0655782,3.20127 |
| 229,Cs,Cs,-6.5582,App,8.0,2.2887,Ap,18.0,-272.7872189,1.16136 |
| 44928,C2,C2,-6.4881,A,17.0,-0.1758,B,17.0,-453.83894884,2.36377 |
| 41678,Cs,Cs,-6.1895,App,10.0,0.3344,App,11.0,-421.64531765,1.32398 |
| 14742,Cs,C1,-6.4672,,,1.8384,,,-348.88544138,0.96292 |
| 3537,C2v,C2v,-6.1605,B1,7.0,-0.0782,A2,2.0,-307.12448346,1.91516 |
| 63404,Cs,Cs,-6.8123,Ap,25.0,-0.5338,App,10.0,-419.10641031,4.49288 |
| 290,C2h,C2h,-8.1252,Ag,8.0,2.3738,Ag,9.0,-236.89658059,0.0 |
| 64000,Cs,Cs,-7.0256,App,9.0,-1.8007,App,10.0,-438.97526253,3.56959 |
| 128651,Cs,Cs,-5.9276,App,7.0,0.5849,App,8.0,-435.15532052,3.55913 |
| 1191,Cs,Cs,-6.9485,App,11.0,1.8423,Ap,19.0,-312.07788513,1.41401 |
| 128713,Cs,Cs,-6.4282,App,7.0,0.3678,App,8.0,-438.94612752,2.03325 |
| 118661,Cs,Cs,-6.8945,App,14.0,1.451,Ap,22.0,-424.04826586,2.58942 |
| 124845,Cs,Cs,-6.6962,App,9.0,0.394,App,10.0,-397.97038592,5.55647 |
| 130429,C2v,Cs,-6.7304,App,15.0,-0.1335,Ap,20.0,-451.16629381,1.67998 |
| 54379,Cs,Cs,-6.2976,Ap,25.0,-0.2627,App,10.0,-386.96831897,2.94483 |
| 10369,C2v,C2v,-6.9283,B2,8.0,0.6085,B1,6.0,-345.16206577,1.26632 |
| 7210,Cs,C1,-6.3537,,,-0.2623,,,-363.74961962,3.87318 |
| 63396,Cs,Cs,-6.0934,Ap,24.0,2.3573,Ap,25.0,-368.30530671,1.0778 |
| 722,D2h,D2h,-6.6739,B1g,3.0,-3.0128,Au,1.0,-296.15783793,0.0 |
| 58012,Cs,Cs,-6.5612,Ap,28.0,0.4758,App,8.0,-456.25311683,4.28502 |
| 6382,Cs,Cs,-6.4956,App,9.0,1.042,App,10.0,-366.19524129,0.69324 |
| 7083,Cs,Cs,-6.8322,App,13.0,-0.8923,Ap,19.0,-420.74017026,2.84885 |
| 46505,Cs,Cs,-6.2683,App,12.0,-0.1863,Ap,23.0,-387.01953256,3.0195 |
| 33437,C2v,C2v,-8.6303,B2,5.0,-0.3537,B2,6.0,-379.49201474,5.08906 |
| 56244,Cs,Cs,-5.7783,Ap,19.0,0.7693,Ap,20.0,-472.29049678,5.85501 |
| 59528,Cs,Cs,-5.7436,Ap,23.0,2.2628,Ap,24.0,-404.19997054,2.44576 |
| 124485,Cs,C1,-6.4124,,,0.2445,,,-399.23345728,4.47778 |
| 128083,Cs,Cs,-7.1074,App,6.0,-0.9662,App,7.0,-449.99072317,3.78763 |
| 60447,C2,C2,-6.6795,B,18.0,2.4608,A,20.0,-390.64343072,0.82143 |
| 40158,C2,C2,-6.8661,B,16.0,2.5592,B,17.0,-351.07054619,0.07495 |
| 10247,Cs,Cs,-7.0886,Ap,25.0,-1.2957,App,6.0,-435.62441231,4.51533 |
| 46281,Cs,Cs,-6.6415,Ap,23.0,0.5972,App,11.0,-401.82679483,2.40458 |
| 24,D*h,Dinfh,-9.9749,B3g,1.0,-2.4079,B2u,2.0,-185.55246286,0.0 |
| 183,Td,Td,-11.5386,B3,5.0,5.3127,A,7.0,-437.31265353,0.0 |
| 57552,Cs,Cs,-6.7341,App,10.0,1.6661,Ap,26.0,-388.16655698,1.26508 |
| 3971,C2,C2,-6.5254,B,17.0,-0.0555,A,19.0,-456.11991148,0.15952 |
| 124454,Cs,Cs,-6.2402,App,9.0,0.921,App,10.0,-383.20292754,2.20443 |
| 10390,Cs,Cs,-6.4393,Ap,23.0,2.1147,Ap,24.0,-350.11929421,2.06712 |
| 7190,Cs,Cs,-6.9978,App,14.0,2.1762,Ap,20.0,-387.23918461,2.90412 |
| 52624,Cs,Cs,-6.6329,Ap,25.0,0.8811,App,10.0,-403.03384262,4.14138 |
| 57347,Cs,Cs,-6.4215,Ap,26.0,-0.678,App,10.0,-440.19054554,6.3565 |
| 4226,Cs,Cs,-7.5043,App,9.0,1.8971,Ap,21.0,-491.84815054,2.06787 |
| 7354,Cs,Cs,-6.3147,App,7.0,1.0067,App,8.0,-402.10495442,2.07683 |
| 2721,Cs,Cs,-6.6784,App,7.0,2.5667,Ap,23.0,-312.06790053,1.04288 |
| 74147,Cs,Cs,-6.9815,Ap,25.0,-0.8327,App,10.0,-422.96655756,5.43062 |
| 123358,Cs,Cs,-6.9745,Ap,22.0,-0.1023,Ap,23.0,-396.75418507,0.16107 |
| 9827,Cs,Cs,-6.4786,Ap,23.0,1.1357,App,9.0,-364.99128742,3.47317 |
| 75237,Cs,C1,-6.3122,,,-1.2646,,,-417.89347895,0.87021 |
| 32535,C2v,C2v,-5.5405,A2,3.0,1.0384,B2,5.0,-458.7920722,0.10099 |
| 116850,Cs,C1,-7.0451,,,-0.6843,,,-422.89944656,2.48482 |
| 47887,C2,C2,-7.3332,A,18.0,-1.1753,B,17.0,-494.76388695,5.85047 |
| 123748,Cs,Cs,-6.8132,App,8.0,0.0852,App,9.0,-398.00120358,0.62178 |
| 26184,Cs,Cs,-5.1282,App,9.0,1.0861,App,10.0,-419.12395704,2.93968 |
| 124506,Cs,Cs,-6.633,App,9.0,0.1453,App,10.0,-438.94729916,1.8334 |
| 5829,Cs,Cs,-7.0256,Ap,22.0,-1.5202,App,9.0,-383.58015457,2.65503 |
| 101960,Cs,Cs,-8.1978,Ap,22.0,-2.1197,App,11.0,-416.66742393,2.18028 |
| 74486,Cs,C1,-5.987,,,-1.3746,,,-417.89091809,0.9044 |
| 74773,C2,C2,-5.7064,B,16.0,0.5885,B,17.0,-414.0611857,1.14722 |
| 62894,Cs,Cs,-6.7035,App,8.0,1.4481,App,9.0,-349.7729587,0.86682 |
| 76734,Cs,Cs,-6.309,Ap,20.0,2.3484,Ap,21.0,-388.19168665,1.85011 |
| 102201,Cs,Cs,-6.8287,Ap,20.0,-0.1375,Ap,21.0,-398.00160484,4.06267 |
| 33653,C3v,C3v,-7.4375,Ap,22.0,0.6912,App,11.0,-364.67944351,4.32998 |
| 124607,Cs,Cs,-5.824,App,9.0,0.5922,App,10.0,-435.17634369,2.53402 |
| 29562,Cs,Cs,-5.3071,Ap,20.0,-0.7656,Ap,21.0,-453.80905477,3.07879 |
| 42118,C2,C2,-6.3988,B,16.0,1.1439,B,17.0,-422.85391806,0.74169 |
| 3943,C2v,C2v,-5.8734,B2,3.0,0.1782,B2,4.0,-392.45544571,1.62996 |
| 8719,C2h,C2h,-8.9195,Ag,12.0,-4.6901,Au,3.0,-412.06519564,0.0 |
| 60449,C2,C2,-6.8595,B,18.0,2.036,A,20.0,-426.53843015,2.99352 |
| 39764,Cs,Cs,-6.0821,Ap,21.0,0.0145,App,12.0,-384.51730301,1.82307 |
| 63433,Cs,Cs,-6.6164,App,9.0,1.022,App,10.0,-404.27277655,3.76076 |
| 8205,Cs,Cs,-5.9653,Ap,19.0,2.4625,Ap,20.0,-384.81615646,1.20142 |
| 99936,Cs,Cs,-6.4458,App,9.0,-0.2832,Ap,25.0,-385.69639751,1.90706 |
| 8357,Cs,Cs,-7.666,Ap,22.0,2.6251,Ap,23.0,-312.97652643,0.20898 |
| 59006,Cs,Cs,-5.5429,App,9.0,0.1864,App,10.0,-403.08823716,3.49012 |
| 4972,C2v,C2v,-6.4537,A1,13.0,-0.933,B2,4.0,-342.73891184,0.82566 |
| 1833,C2v,C2v,-6.9954,B1,9.0,-0.4571,A2,3.0,-360.4670225,1.88432 |
| 63381,Cs,Cs,-7.0582,Ap,25.0,0.9752,Ap,26.0,-383.17479956,2.9179 |
| 123222,Cs,Cs,-6.8898,Ap,28.0,-0.6226,App,9.0,-425.32764565,3.06346 |
| 23904,Cs,Cs,-7.3464,App,10.0,1.9865,Ap,24.0,-531.13284681,3.20199 |
| 7344,Cs,Cs,-6.2496,App,7.0,1.0876,App,8.0,-366.21651665,3.38045 |
| 68038,C2v,C2v,-7.2132,B1,8.0,2.3321,A1,16.0,-352.261691,0.10387 |
| 5718,Cs,Cs,-5.1529,Ap,18.0,1.2887,Ap,19.0,-398.44282953,1.83184 |
| 116830,Cs,Cs,-6.1174,App,7.0,-0.2439,Ap,27.0,-385.70697083,1.12658 |
| 18803,C2,C2,-5.0868,A,16.0,2.638,A,17.0,-343.8190669,0.08276 |
| 396,Cs,Cs,-6.9943,App,10.0,1.3488,Ap,16.0,-344.57469095,1.93009 |
| 20543,Cs,Cs,-6.4131,App,8.0,0.8954,App,9.0,-343.91910873,1.99119 |
| 26372,Cs,Cs,-5.2553,App,9.0,1.4051,App,10.0,-419.11093649,3.36463 |
| 35666,C2,C2,-6.9205,B,15.0,0.8255,A,18.0,-384.47988539,1.92595 |
| 2615,C2v,C2v,-8.9238,B1,9.0,0.1969,A1,12.0,-303.42544488,3.81451 |
| 124443,Cs,Cs,-7.2167,App,9.0,-0.8977,App,10.0,-419.06795642,3.68544 |
| 137,C2v,C2v,-6.9819,A2,2.0,2.187,A1,10.0,-269.38941958,2.97038 |
| 128886,C2v,C2v,-8.8938,A2,2.0,-3.2903,B2,4.0,-446.31472794,0.6809 |
| 128303,Cs,Cs,-5.2371,App,15.0,1.1714,Ap,20.0,-451.17246442,4.27723 |
| 68399,Cs,Cs,-6.274,App,12.0,1.94,Ap,24.0,-424.0917468,2.28327 |
| 37577,C2v,C2v,-5.9469,A1,13.0,2.4312,A1,14.0,-348.59606588,0.10033 |
| 89570,Cs,Cs,-6.488,App,9.0,0.76,App,10.0,-403.04526153,1.54175 |
| 5662,C2h,C2h,-6.5302,Au,3.0,-0.9052,Bg,3.0,-413.29321544,0.0 |
| 7576,Cs,Cs,-7.4127,Ap,21.0,2.2098,Ap,22.0,-314.23126057,0.03371 |
| 23866,Cs,Cs,-6.789,Ap,21.0,2.1946,Ap,22.0,-511.27880677,0.7328 |
| 185,Cs,Cs,-6.0632,App,4.0,0.4169,App,5.0,-321.10103777,3.76746 |
| 52575,Cs,Cs,-7.0673,App,12.0,0.634,App,13.0,-363.42491067,4.30853 |
| 128989,C2v,C2v,-6.9702,A1,15.0,-2.3587,B2,4.0,-427.69295102,0.1071 |
| 99933,Cs,Cs,-7.4988,Ap,24.0,-0.7811,App,10.0,-365.90694617,5.49973 |
| 74144,Cs,Cs,-6.1493,Ap,25.0,-0.9028,App,10.0,-387.04207253,4.17583 |
| 33366,C2v,C2v,-6.6061,B2,3.0,-0.7075,A1,14.0,-344.87268242,0.61624 |
| 35663,C2,C1,-6.7851,,,1.3995,,,-348.59130411,0.47621 |
| 77517,Cs,Cs,-6.5287,App,13.0,1.8881,Ap,23.0,-388.20683429,1.54781 |
| 26110,Cs,Cs,-5.5377,App,9.0,0.89,App,10.0,-387.03259094,0.67758 |
| 58685,Cs,Cs,-7.2816,App,11.0,0.208,App,12.0,-424.11687668,4.01703 |
| 73770,C2v,Cs,-6.5229,App,14.0,-2.1022,App,15.0,-421.75569297,2.35081 |
| 133551,Cs,Cs,-6.8754,App,12.0,1.9718,Ap,24.0,-567.91325406,2.99692 |
| 8605,Cs,Cs,-8.3868,Ap,18.0,-0.3781,Ap,19.0,-340.20809856,4.31795 |
| 38298,C2v,C2v,-6.3124,B2,6.0,2.0021,A1,14.0,-386.95009601,1.31837 |
| 96724,Cs,Cs,-6.6569,Ap,26.0,-0.4542,App,10.0,-420.32198117,1.83637 |
| 14788,Cs,Cs,-6.9916,App,8.0,2.2966,Ap,26.0,-351.3546775,1.4396 |
| 5969,Cs,Cs,-7.2917,App,9.0,0.8884,Ap,23.0,-364.97459861,4.74373 |
| 47,C2v,C2v,-6.4736,B1,3.0,2.5162,A1,9.0,-192.98415754,1.95812 |
| 560,Cs,Cs,-6.4095,App,5.0,0.8513,App,6.0,-286.4111964,4.29828 |
| 24353,C2,C2,-5.0442,A,18.0,1.4891,B,16.0,-437.7441617,0.77599 |
| 106823,Cs,Cs,-6.2856,Ap,20.0,2.4836,Ap,21.0,-352.28398376,0.31292 |
| 8209,Cs,Cs,-6.5832,Ap,19.0,2.5037,Ap,20.0,-348.94104248,1.85957 |
| 19091,C2h,C2h,-5.9266,Ag,11.0,1.6673,Bu,11.0,-383.5491914,0.0 |
| 4532,Cs,Cs,-5.1358,App,12.0,1.5499,Ap,19.0,-327.88794663,1.71765 |
| 38869,C2,C2,-7.3951,B,16.0,2.4342,A,19.0,-351.11236419,0.02381 |
| 57689,Cs,C1,-7.325,,,0.249,,,-401.77131845,4.93409 |
| 5914,Cs,Cs,-7.2521,Ap,22.0,-0.9657,App,9.0,-363.78309043,3.08445 |
| 63445,Cs,Cs,-7.9729,Ap,19.0,-0.2059,Ap,20.0,-380.75805165,5.24529 |
| 1153,Cs,Cs,-7.6363,App,7.0,0.4485,Ap,19.0,-287.32181323,3.81477 |
| 37862,Cs,Cs,-4.9014,Ap,21.0,1.3463,Ap,22.0,-437.655615,1.17248 |
| 42032,C2,C2,-6.339,B,16.0,2.4279,A,20.0,-388.23707403,2.03206 |
| 9693,Cs,Cs,-6.4884,Ap,20.0,0.7863,App,10.0,-310.56012558,0.61372 |
| 1084,Cs,Cs,-8.4543,Ap,19.0,0.9805,Ap,20.0,-289.8079554,3.90572 |
| 1034,Cs,Cs,-6.1833,App,4.0,-0.9235,App,5.0,-323.30786275,2.353 |
| 3709,C2v,C2v,-7.8537,B2,3.0,-0.8052,B2,4.0,-340.49383773,4.14174 |
| 86466,C3,C3,-7.0581,A,36.0,1.9962,A,37.0,-461.23280002,2.14974 |
| 59781,Cs,Cs,-6.4968,Ap,22.0,2.398,Ap,23.0,-389.44001589,1.4104 |
| 37774,C2v,C2v,-5.5431,A2,2.0,-0.6868,B2,6.0,-348.61221283,0.39887 |
| 14392,Cs,Cs,-6.056,Ap,21.0,1.6881,App,10.0,-347.61736284,1.86593 |
| 21346,Cs,Cs,-7.6396,Ap,19.0,-0.6404,Ap,20.0,-373.55755876,3.46121 |
| 32536,C2v,C2v,-5.1234,A2,3.0,1.775,B2,5.0,-438.94414251,1.13156 |
| 117642,Cs,Cs,-4.3894,Ap,26.0,-0.3035,Ap,27.0,-441.33641805,15.02919 |
| 2127,C2v,C2v,-5.8926,B1,4.0,0.8722,A2,3.0,-309.65375104,2.05663 |
| 35142,C2,C2,-6.9222,B,15.0,0.039,A,17.0,-383.25000955,1.89403 |
| 6204,Cs,Cs,-6.0307,App,9.0,0.7812,App,10.0,-348.94156098,1.72686 |
| 121477,Cs,Cs,-5.9783,App,9.0,0.866,App,10.0,-404.23313295,2.74228 |
| 2043,Cs,Cs,-6.2522,Ap,20.0,2.6714,Ap,21.0,-309.56971331,1.95936 |
| 78518,Cs,Cs,-5.3903,Ap,25.0,2.7258,Ap,26.0,-367.03631813,1.11064 |
| 1349,Cs,Cs,-7.9918,App,10.0,2.0997,Ap,19.0,-274.97665182,0.05828 |
| 106403,Cs,Cs,-7.2683,Ap,23.0,2.5071,Ap,24.0,-352.25447243,0.24388 |
| 32518,C2,C2,-5.2036,A,18.0,1.5516,B,17.0,-367.17167508,1.78344 |
| 116662,Cs,Cs,-6.246,App,6.0,-0.1986,App,7.0,-415.26414695,0.77381 |
| 42189,Cs,Cs,-6.7457,Ap,24.0,-2.5904,App,9.0,-416.57731553,1.99638 |
| 7723,Cs,Cs,-7.0053,App,12.0,-0.6101,App,13.0,-399.75264742,3.13213 |
| 57727,Cs,Cs,-6.9882,Ap,26.0,-0.7164,App,10.0,-440.1595159,0.93903 |
| 98525,Cs,Cs,-6.3312,Ap,25.0,0.913,App,10.0,-403.01512244,3.43259 |
| 14752,Cs,Cs,-7.2799,App,7.0,1.0163,Ap,25.0,-364.97914787,3.96914 |
| 3683,Cs,Cs,-7.4796,App,5.0,-0.3177,App,6.0,-340.53933876,1.59144 |
| 17735,C2v,C2v,-6.1601,B1,6.0,2.6037,A1,15.0,-346.3677803,1.96627 |
| 20215,C2v,C2v,-5.3738,B2,9.0,2.5298,A1,12.0,-310.53307468,0.07474 |
| 100073,Cs,C1,-6.3603,,,1.1051,,,-441.39704204,4.83613 |
| 23909,Cs,Cs,-8.0106,App,11.0,2.6262,Ap,22.0,-494.01076992,2.11546 |
| 46519,Cs,Cs,-6.2686,App,12.0,1.8532,Ap,23.0,-419.11534605,4.29726 |
| 34475,Cs,Cs,-7.5008,Ap,18.0,-2.3456,App,14.0,-379.57675417,6.23647 |
| 5929,Cs,C1,-7.118,,,-0.9547,,,-400.87524788,3.35898 |
| 31572,Cs,Cs,-4.9988,App,7.0,1.6286,App,8.0,-419.12634582,1.98898 |
| 26938,Cs,Cs,-5.0509,App,8.0,1.455,App,9.0,-381.95620996,1.58164 |
| 57492,Cs,Cs,-6.5021,Ap,25.0,0.8633,App,11.0,-404.25197609,2.25003 |
| 6179,Cs,Cs,-6.4583,Ap,22.0,-0.5858,App,9.0,-363.80601551,4.40988 |
| 6328,Cs,C1,-7.0193,,,0.0512,,,-416.96446579,4.68337 |
| 29552,C2v,C2v,-5.5298,B1,4.0,-0.0571,B1,5.0,-401.89265307,5.89967 |
| 47271,Cs,Cs,-6.5158,App,13.0,-3.0913,Ap,21.0,-457.63037123,5.3497 |
| 133789,Cs,Cs,-8.0515,Ap,26.0,-0.5461,App,11.0,-605.13300174,3.01248 |
| 57995,Cs,Cs,-6.4465,App,7.0,0.8837,Ap,28.0,-438.93146591,2.23374 |
| 33582,C2,C2,-8.6695,A,17.0,-0.9166,B,16.0,-452.55131336,5.76379 |
| 38404,C2,C2,-6.7511,B,16.0,2.3419,B,17.0,-421.58891591,1.75021 |
| 62637,Cs,Cs,-7.3936,Ap,25.0,2.7679,Ap,26.0,-351.01514417,0.20156 |
| 58700,Cs,Cs,-7.173,Ap,23.0,0.675,App,12.0,-403.02933168,3.07155 |
| 1194,Cs,C1,-6.418,,,-0.2126,,,-308.41702854,2.40024 |
| 123079,Cs,C1,-6.4638,,,1.8112,,,-388.16988909,1.18927 |
| 10239,C2,C2,-6.2338,B,13.0,-0.7493,B,14.0,-373.58707221,7.73513 |
| 124438,Cs,Cs,-6.6995,App,9.0,0.2332,App,10.0,-399.22548816,5.00894 |
| 3882,C2,C2,-5.2551,B,12.0,0.5687,B,13.0,-352.73524341,0.8577 |
| 68653,Cs,C1,-7.3926,,,0.2416,,,-422.87638948,4.52969 |
| 20411,Cs,Cs,-7.7791,Ap,18.0,-1.0467,Ap,19.0,-378.55645637,4.61788 |
| 17838,Cs,Cs,-6.5901,Ap,19.0,2.4847,Ap,20.0,-312.9911318,0.25293 |
| 86462,Cs,Cs,-6.459,Ap,22.0,2.4952,Ap,23.0,-389.45455268,1.14793 |
| 123246,Cs,Cs,-6.9909,App,9.0,2.2973,Ap,29.0,-390.63852577,1.4913 |
| 121744,Cs,Cs,-7.0149,App,8.0,0.5881,App,9.0,-461.25385385,2.91478 |
| 131329,Cs,Cs,-6.5535,App,6.0,-1.8151,App,7.0,-505.7502461,4.65058 |
| 117709,Cs,Cs,-6.8336,App,10.0,0.9244,App,11.0,-441.35602195,2.89719 |
| 49329,Cs,Cs,-6.9542,Ap,25.0,-0.9364,App,9.0,-437.7452008,5.95514 |
| 22409,Cs,C1,-6.4121,,,0.3239,,,-402.96575593,0.96415 |
| 58712,Cs,Cs,-6.0378,Ap,23.0,1.1395,Ap,24.0,-402.94670905,2.24821 |
| 4499,Cs,Cs,-5.899,App,6.0,0.516,App,7.0,-379.84107491,2.31552 |
| 25432,C2v,C2v,-6.6157,A2,2.0,-1.5386,A2,3.0,-436.5721251,4.37222 |
| 1134,Cs,Cs,-6.3999,App,8.0,-0.365,Ap,20.0,-309.65591792,2.9204 |
| 18985,C2,C2,-6.5647,B,15.0,2.1649,A,16.0,-311.75176745,0.1252 |
| 26181,Cs,Cs,-6.1011,App,9.0,0.5062,App,10.0,-403.08721868,1.05936 |
| 66234,Cs,Cs,-7.1072,App,13.0,2.2679,Ap,23.0,-352.30215984,0.12831 |
| 5059,Cs,Cs,-6.9241,App,11.0,-2.5736,App,12.0,-377.3975866,5.79179 |
| 101980,Cs,Cs,-6.8932,App,11.0,-1.8553,Ap,24.0,-494.70011708,0.21021 |
| 16027,Cs,Cs,-6.7938,App,11.0,2.2275,Ap,21.0,-420.70805397,3.38743 |
| 132394,D3h,D3h,-6.9497,B2,4.0,-0.199,B2,5.0,-529.69250385,0.00027 |
| 117713,Cs,Cs,-6.8679,App,15.0,1.7827,Ap,23.0,-462.41997226,1.53809 |
| 4044,C2,C2,-6.587,B,16.0,-0.0452,B,17.0,-454.91453893,0.36031 |
| 65886,Cs,Cs,-7.2852,Ap,24.0,-1.1784,App,9.0,-400.56427315,4.02085 |
| 67734,C2,C2,-6.0453,B,16.0,-0.3265,A,18.0,-457.47848585,3.38858 |
| 63514,Cs,Cs,-6.42,Ap,23.0,2.2012,Ap,24.0,-422.80321115,3.57657 |
| 18767,C2,C2,-6.5912,B,14.0,1.8109,B,15.0,-383.5450027,1.18235 |
| 100067,Cs,Cs,-6.4402,App,10.0,1.6694,Ap,26.0,-352.2835332,0.13895 |
| 73772,C2v,C2v,-7.0714,B2,12.0,-2.1054,A2,3.0,-437.82362666,2.1012 |
| 26679,C2,C2,-5.1797,A,18.0,1.0217,B,17.0,-419.10572465,1.67735 |
| 39999,Cs,Cs,-6.944,Ap,23.0,2.4747,Ap,24.0,-351.07330675,0.11353 |
| 57241,Cs,Cs,-8.4843,Ap,24.0,-2.8342,App,9.0,-416.67548952,3.41416 |
| 75608,Cs,Cs,-6.8129,App,12.0,-0.901,Ap,24.0,-460.00978555,1.11033 |
| 117044,Cs,Cs,-6.7388,Ap,28.0,-1.7816,App,8.0,-460.06459196,1.1754 |
| 56107,Cs,Cs,-7.1215,App,9.0,-1.2227,App,10.0,-449.96736572,4.38475 |
| 63049,Cs,Cs,-5.788,Ap,23.0,2.315,Ap,24.0,-367.0805068,1.78989 |
| 11073,Cs,Cs,-6.1987,Ap,19.0,2.5091,Ap,20.0,-313.00100339,0.22768 |
| 123203,Cs,Cs,-6.9318,App,8.0,1.1018,Ap,28.0,-404.25845669,4.78455 |
| 68009,Cs,Cs,-6.9364,Ap,25.0,0.5652,App,10.0,-422.93335966,4.38981 |
| 18809,C2,C2,-6.4277,B,14.0,1.8996,B,15.0,-383.58236521,0.13777 |
| 27380,Cs,Cs,-5.4201,App,13.0,0.1964,Ap,21.0,-433.961123,7.23383 |
| 4590,C2h,C1,-5.3038,,,0.061,,,-382.45624645,0.00113 |
| 133647,Cs,Cs,-7.7225,Ap,23.0,0.5242,Ap,24.0,-532.04852012,3.34088 |
| 58621,C2,C2,-6.9483,B,17.0,2.273,A,20.0,-353.50570936,0.20297 |
| 53643,Cs,C1,-6.3859,,,1.8576,,,-352.28344536,0.14572 |
| 133492,Cs,Cs,-6.9349,Ap,26.0,-0.4959,App,11.0,-569.23347903,2.52667 |
| 52085,Cs,Cs,-6.9521,App,9.0,0.7472,App,10.0,-402.97433434,3.32656 |
| 26711,C2,C2,-4.2247,A,18.0,1.3203,A,19.0,-510.73795607,1.10447 |
| 33368,C2v,C2v,-8.1632,B2,3.0,-1.884,A1,14.0,-377.05190443,4.70015 |
| 10077,Cs,Cs,-6.6652,Ap,21.0,1.0706,App,12.0,-366.21846689,3.64996 |
| 42070,C2,C2,-6.5624,B,16.0,0.3965,A,19.0,-386.97785219,1.81829 |
| 116863,Cs,Cs,-6.4604,App,10.0,1.2549,Ap,26.0,-388.16418541,1.02339 |
| 92,Cs,Cs,-6.4903,Ap,13.0,-0.6232,Ap,14.0,-247.10413474,2.54991 |
| 37337,C2v,C2v,-7.0054,B2,9.0,2.0356,B1,8.0,-421.64296695,1.70934 |
| 65472,C2,C2,-6.9158,B,17.0,2.3186,A,19.0,-352.27650791,0.07221 |
| 16024,Cs,Cs,-6.8315,App,11.0,2.3467,Ap,21.0,-348.93209099,1.8082 |
| 48071,Cs,Cs,-6.1774,Ap,25.0,-2.7858,App,9.0,-437.65289605,0.63637 |
| 29770,Cs,C1,-4.9079,,,1.656,,,-383.20397844,1.38399 |
| 29270,Cs,Cs,-5.4825,App,8.0,1.2086,App,9.0,-398.01586449,1.68315 |
| 63041,C2,C2,-6.3784,B,16.0,1.8579,B,17.0,-422.84343121,0.26431 |
| 97529,Cs,Cs,-7.1898,App,5.0,-3.0595,App,6.0,-395.52189135,8.47239 |
| 63506,Cs,Cs,-6.7383,App,14.0,-1.1729,Ap,21.0,-422.9104646,1.50327 |
| 5719,Cs,Cs,-5.9285,App,11.0,0.7082,Ap,19.0,-418.29628435,1.15704 |
| 127115,Cs,Cs,-6.3213,Ap,27.0,-1.8259,App,7.0,-430.07744034,4.96189 |
| 36016,Cs,Cs,-6.8919,App,12.0,1.0242,Ap,20.0,-347.31418969,0.6234 |
| 68470,Cs,Cs,-6.4185,Ap,25.0,0.9369,App,10.0,-403.03695279,2.38274 |
| 485,D*h,Dinfh,-8.8201,B3u,2.0,-3.0585,B2g,2.0,-261.66526288,0.0 |
| 68034,C2v,C2,-6.4418,A,18.0,1.9615,A,19.0,-424.04805063,2.43658 |
| 37329,C3v,C3v,-7.4762,Ap,19.0,1.4753,Ap,20.0,-457.5196346,4.84737 |
| 6083,C2,C2,-6.4187,A,16.0,1.8082,B,16.0,-313.00212137,0.01458 |
| 3179,Cs,Cs,-6.4884,App,9.0,2.5076,Ap,19.0,-273.70574222,0.04458 |
| 26370,Cs,Cs,-5.3255,App,9.0,1.5403,App,10.0,-419.12285993,2.61773 |
| 2636,C2,C2,-6.8142,B,13.0,-0.9098,A,15.0,-345.56299592,0.55446 |
| 11067,Cs,Cs,-6.7187,App,11.0,2.1326,Ap,21.0,-348.94645074,1.42162 |
| 38689,C2v,C2v,-7.7059,B2,8.0,2.2591,A1,14.0,-351.13635938,0.0052 |
| 1522,Cs,Cs,-6.8459,App,6.0,1.7644,App,7.0,-362.81251999,1.38034 |
| 104802,Cs,Cs,-6.5501,App,12.0,0.909,App,13.0,-404.27792758,1.97402 |
| 6151,Cs,Cs,-6.5023,App,9.0,1.095,App,10.0,-364.97795362,2.51731 |
| 3607,C3v,C3v,-5.8429,Ap,17.0,2.1786,Ap,18.0,-288.50926698,1.78542 |
| 102347,Cs,Cs,-6.8545,App,11.0,0.0806,Ap,23.0,-414.03420789,6.2415 |
| 19087,C2v,C2v,-6.5641,B1,8.0,2.451,A1,12.0,-383.58937935,3.53503 |
| 97432,Cs,C1,-6.5832,,,0.8463,,,-405.4662351,2.71418 |
| 24674,Cs,Cs,-5.5698,App,8.0,0.5127,App,9.0,-437.70878614,3.14234 |
| 3732,Cs,Cs,-6.6076,App,9.0,0.6124,Ap,18.0,-320.66944891,6.19701 |
| 24350,C2,C2,-4.9647,A,18.0,0.879,B,16.0,-417.87330233,2.29257 |
| 26111,Cs,Cs,-5.5117,App,9.0,1.2054,App,10.0,-383.22505722,3.48419 |
| 16,C2v,C2v,-7.1633,B1,2.0,2.9705,A1,7.0,-153.69488527,1.93294 |
| 123191,Cs,Cs,-6.8043,App,8.0,1.0865,Ap,28.0,-388.15605671,1.29675 |
| 68067,Cs,Cs,-6.5456,App,9.0,0.7226,App,10.0,-403.04864725,2.07067 |
| 70889,Cs,Cs,-6.6749,App,11.0,2.4402,Ap,24.0,-351.11233494,0.0481 |
| 2904,Cs,Cs,-6.3286,App,5.0,0.2819,App,6.0,-324.50131207,4.1066 |
| 128484,Cs,Cs,-5.6479,App,7.0,0.2932,App,8.0,-435.12260633,3.33308 |
| 90275,Cs,Cs,-5.8571,Ap,22.0,0.9074,App,13.0,-387.00821894,2.09667 |
| 123314,C2v,C2v,-7.0005,A2,2.0,-1.8425,B2,4.0,-414.14471305,3.4286 |
| 525,Cs,Cs,-8.5311,Ap,18.0,1.1312,Ap,19.0,-250.52273653,4.13007 |
| 6761,Cs,Cs,-6.564,App,9.0,0.8376,App,10.0,-366.18716056,2.84846 |
| 103755,C2,C2,-6.4721,B,17.0,2.0415,B,18.0,-425.30382507,2.01428 |
| 36600,Cs,Cs,-8.1744,Ap,24.0,1.1582,Ap,25.0,-365.8834034,4.10872 |
| 32451,Cs,Cs,-5.2937,App,7.0,1.0316,App,8.0,-422.92207386,0.62424 |
| 5154,Cs,Cs,-5.878,App,9.0,0.2938,Ap,20.0,-341.49418769,3.21637 |
| 26088,Cs,Cs,-6.3331,App,9.0,0.3117,App,10.0,-403.07730712,2.12483 |
| 397,Cs,Cs,-6.4036,App,6.0,1.717,Ap,17.0,-233.18696372,0.75476 |
| 63142,Cs,Cs,-6.619,App,14.0,2.2614,Ap,22.0,-424.12326822,2.59809 |
| 37847,Cs,C2v,-6.6526,B2,6.0,2.3847,A1,14.0,-385.76080826,1.29227 |
| 63297,Cs,Cs,-6.6113,Ap,25.0,-0.3566,App,10.0,-419.10707646,5.63795 |
| 121574,Cs,Cs,-6.7642,Ap,27.0,-1.0726,App,8.0,-386.98705051,3.44041 |
| 127113,Cs,Cs,-5.8746,Ap,27.0,-1.4288,App,7.0,-414.05901113,2.52667 |
| 4227,Cs,Cs,-9.3139,App,9.0,2.4711,Ap,21.0,-455.96228051,2.11542 |
| 97874,C2,C2,-6.5561,B,16.0,0.895,B,17.0,-421.57600627,1.59615 |
| 123268,C2v,C2v,-6.7183,B2,5.0,2.1666,A1,16.0,-462.41351647,3.84057 |
| 63369,Cs,Cs,-6.2414,Ap,21.0,-0.4231,Ap,22.0,-404.25807608,2.31456 |
| 39901,Cs,Cs,-6.6981,App,13.0,2.3164,Ap,22.0,-386.99278906,1.83729 |
| 1154,C2v,C2v,-9.1303,B2,5.0,-0.1998,A1,12.0,-303.4170172,4.35808 |
| 63238,Cs,Cs,-6.3938,Ap,25.0,0.5363,App,10.0,-403.08571503,3.46737 |
| 28003,Cs,Cs,-5.9234,App,6.0,-0.6898,App,7.0,-401.88700858,2.92697 |
| 68898,Cs,Cs,-6.5414,App,13.0,-0.3659,Ap,22.0,-422.92781238,3.46215 |
| 121847,Cs,Cs,-6.6706,App,11.0,1.9805,Ap,27.0,-426.52116289,0.40134 |
| 68293,Cs,Cs,-6.8372,App,11.0,2.2574,Ap,24.0,-386.92483654,1.23637 |
| 57687,Cs,Cs,-6.7995,App,9.0,0.8237,Ap,25.0,-385.67386941,1.71662 |
| 58436,Cs,Cs,-6.5342,Ap,22.0,2.4535,Ap,23.0,-352.27393498,0.21789 |
| 7036,C2,C2,-7.0462,B,14.0,-1.0966,B,15.0,-451.67382598,7.88166 |
| 57403,Cs,C1,-6.1164,,,1.6572,,,-424.02990596,3.20082 |
| 72401,C2v,C2v,-7.4841,A2,5.0,2.1561,A1,14.0,-352.34040251,0.01159 |
| 10363,Cs,Cs,-6.7813,App,7.0,1.0123,App,8.0,-309.27490191,0.89255 |
| 1148,D3h,D3h,-7.7957,B2,7.0,2.7779,A1,13.0,-273.70006035,0.00019 |
| 99426,Cs,Cs,-7.6765,Ap,21.0,-0.7862,Ap,22.0,-411.60875082,5.23022 |
| 24995,C2v,C2v,-6.509,B1,5.0,0.4275,A2,3.0,-493.51826192,3.08426 |
| 36810,C2v,C2v,-6.8891,B1,12.0,1.5527,A1,15.0,-349.79601229,0.50819 |
| 54288,C2,C2,-6.6377,B,16.0,-0.6032,A,19.0,-422.92146117,1.01073 |
| 7662,Cs,Cs,-7.5242,App,8.0,2.6958,Ap,24.0,-312.9617644,0.12457 |
| 4021,Cs,Cs,-6.3611,App,8.0,-0.6699,App,9.0,-363.67134165,0.52588 |
| 8523,Cs,Cs,-6.0527,Ap,22.0,2.4319,Ap,23.0,-327.7484553,1.67439 |
| 830,Cs,Cs,-9.5463,Ap,17.0,2.6331,Ap,18.0,-416.6783616,2.04363 |
| 8670,Cs,Cs,-7.5097,App,11.0,0.6165,App,12.0,-400.86997044,2.03987 |
| 124853,Cs,Cs,-6.7258,App,8.0,-0.8964,App,9.0,-417.83341994,3.79211 |
| 315,C3v,C3v,-7.8956,Ap,16.0,2.8508,Ap,17.0,-234.40934589,0.21724 |
| 29638,Cs,Cs,-4.7242,App,7.0,1.2079,App,8.0,-419.1158922,3.68196 |
| 64117,C2,C2,-6.2775,B,17.0,2.0796,A,20.0,-389.45287408,1.34891 |
| 102352,C2v,C2v,-8.0698,A2,3.0,0.008,A1,15.0,-453.75248357,7.10644 |
| 124087,Cs,Cs,-6.8455,Ap,25.0,0.2608,App,9.0,-433.88964195,4.76531 |
| 68073,Cs,Cs,-6.517,Ap,22.0,2.3645,Ap,23.0,-388.20745444,1.45837 |
| 105539,Cs,Cs,-6.8649,App,11.0,2.1574,Ap,25.0,-388.16321208,1.47788 |
| 37579,C2,C2,-5.6714,A,17.0,1.5166,B,16.0,-380.64734258,0.81593 |
| 5949,Cs,Cs,-6.8255,App,9.0,0.9394,App,10.0,-402.07556138,2.67058 |
| 44,Cs,Cs,-6.1391,Ap,11.0,2.7562,Ap,12.0,-173.11105659,1.26031 |
| 63141,C2,C2,-6.4908,A,18.0,2.3607,A,19.0,-424.11618979,1.43054 |
| 31074,Cs,Cs,-5.267,App,7.0,0.4412,App,8.0,-438.98219101,0.49864 |
| 57332,Cs,Cs,-6.87,App,12.0,1.669,Ap,24.0,-388.16580647,1.33533 |
| 37656,C2,C2,-5.6757,A,17.0,2.2739,B,16.0,-380.7153231,0.08448 |
| 58339,Cs,Cs,-6.6094,App,9.0,-0.2438,App,10.0,-420.33153475,2.04195 |
| 13192,Cs,C1,-6.2081,,,1.1012,,,-364.98906529,3.91054 |
| 46469,Cs,Cs,-6.8821,Ap,25.0,-1.6669,App,9.0,-437.74167941,4.95439 |
| 3535,C2v,C2v,-5.8378,B2,5.0,0.3677,A2,2.0,-271.24372463,0.07501 |
| 17266,Cs,Cs,-6.5566,Ap,20.0,2.0022,Ap,21.0,-363.64730012,1.78686 |
| 7432,C2,C2,-6.3018,B,15.0,-0.1403,B,16.0,-350.17031122,2.49829 |
| 64315,Cs,Cs,-6.2327,Ap,22.0,0.8312,App,14.0,-352.31820967,0.20315 |
| 113053,Cs,Cs,-6.2222,App,14.0,-0.3425,Ap,22.0,-388.2265633,2.49496 |
| 6064,C2,C2,-6.6457,B,15.0,-0.2706,B,16.0,-384.87567528,1.9086 |
| 2541,Cs,Cs,-6.5932,Ap,18.0,-0.4133,App,11.0,-310.87401309,2.70464 |
| 75753,Cs,Cs,-5.2298,App,7.0,0.3222,App,8.0,-403.09633308,3.63167 |
| 7003,Cs,Cs,-6.5935,App,11.0,2.0065,Ap,22.0,-386.02166424,2.76609 |
| 42380,Cs,Cs,-6.4227,App,5.0,-1.2637,App,6.0,-395.48612319,1.64618 |
| 24869,D3h,D3h,-7.6719,B1,11.0,-0.3589,B2,5.0,-505.87070141,0.00021 |
| 2678,Cs,Cs,-6.3959,App,6.0,1.7563,Ap,22.0,-273.71757926,0.08493 |
| 29567,C2v,C2v,-5.9377,B2,4.0,-0.9154,B2,5.0,-493.50968257,5.43425 |
| 3268,C2,C2,-7.9909,A,15.0,2.2766,A,16.0,-274.97454915,0.00177 |
| 7866,C2v,C2v,-6.2796,B1,4.0,-0.235,B1,5.0,-347.75456724,3.00923 |
| 68113,Cs,Cs,-6.6367,App,11.0,2.3213,Ap,24.0,-386.92318612,1.53546 |
| 8775,C2,C2,-7.4174,A,16.0,-1.3648,B,16.0,-456.63975158,3.19728 |
| 124483,Cs,Cs,-6.8639,App,9.0,-0.6879,App,10.0,-419.07857221,4.1961 |
| 40687,C2,C2,-6.079,B,16.0,2.3673,B,17.0,-383.0803326,0.72607 |
| 110137,C3,C1,-6.8636,,,2.2738,,,-353.51105857,0.03746 |
| 125503,Cs,Cs,-7.2612,App,6.0,-1.4499,App,7.0,-433.94684382,4.28451 |
| 27,C2h,C2h,-7.1984,Ag,7.0,-2.9555,Au,2.0,-227.70252913,0.0 |
| 1643,Cs,Cs,-6.4418,Ap,22.0,-2.1391,App,6.0,-345.58520408,0.13675 |
| 64809,Cs,Cs,-6.3496,App,11.0,-0.3403,Ap,24.0,-386.98224111,2.93931 |
| 106339,Cs,Cs,-6.7754,App,9.0,1.4105,Ap,25.0,-385.67689484,2.05192 |
| 57377,C3v,C3v,-7.4856,Ap,23.0,2.2151,Ap,24.0,-352.26024053,0.13583 |
| 39955,C2,C2,-6.5743,B,16.0,-0.1298,A,18.0,-421.64545282,0.38617 |
| 34841,Cs,Cs,-7.9022,Ap,24.0,-0.3343,App,8.0,-415.3764748,2.66943 |
| 6771,Cs,C1,-7.0987,,,1.7116,,,-402.14051179,2.45045 |
| 62881,Cs,Cs,-6.7484,App,9.0,2.426,Ap,26.0,-386.90730351,1.96808 |
| 42387,C2v,C2v,-7.2837,B2,12.0,-1.98,A2,3.0,-435.25143061,6.27251 |
| 66351,Cs,Cs,-6.5014,Ap,23.0,1.6278,Ap,24.0,-386.96535062,1.1652 |
| 7718,Cs,Cs,-6.644,Ap,18.0,0.3453,App,13.0,-431.77971981,3.20949 |
| 3877,C2,C2,-5.6585,A,14.0,0.9105,B,13.0,-372.61328854,3.64373 |
| 42242,Cs,Cs,-7.7444,App,6.0,-1.8782,App,7.0,-452.57893359,2.7724 |
| 59004,Cs,Cs,-6.4028,Ap,25.0,-0.2851,App,10.0,-387.03146529,2.89353 |
| 130495,C2v,C2v,-7.2565,B1,11.0,-3.3297,B2,4.0,-447.46536264,0.63892 |
| 7,Cs,Cs,-7.093,App,2.0,2.2205,Ap,8.0,-115.64598857,1.67928 |
| 86442,Cs,Cs,-6.2473,App,14.0,-0.1314,Ap,22.0,-388.25811169,3.02618 |
| 65882,Cs,Cs,-7.393,App,8.0,-0.8706,App,9.0,-364.67699348,5.60624 |
| 62653,Cs,Cs,-5.9054,Ap,23.0,2.4135,Ap,24.0,-367.04172027,1.89792 |
| 63333,Cs,C1,-7.0232,,,-0.0734,,,-455.08643764,2.64558 |
| 55636,Cs,Cs,-7.6426,Ap,25.0,-0.049,App,10.0,-438.99273686,2.31218 |
| 42018,C2,C2,-7.5494,A,19.0,2.5272,A,20.0,-352.34758509,0.05934 |
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| 133453,C2v,C2v,-8.1171,B1,11.0,-3.2634,B2,5.0,-573.53537419,0.28768 |
| 98188,Cs,Cs,-6.3697,Ap,26.0,1.1429,App,11.0,-405.50203699,3.27827 |
| 1159,Cs,Cs,-9.0984,App,9.0,-0.8554,Ap,17.0,-339.30254807,2.60185 |
| 12442,Cs,Cs,-7.4773,App,12.0,-0.8033,App,13.0,-419.542678,5.84962 |
| 55628,Cs,Cs,-7.4572,App,9.0,0.4234,App,10.0,-419.10053908,4.05729 |
| 47284,Cs,Cs,-6.8339,Ap,19.0,-2.6862,App,15.0,-457.61486048,0.594 |
| 123194,Cs,Cs,-7.2675,App,8.0,1.0217,Ap,28.0,-404.26287145,4.02198 |
| 20493,C2v,Cs,-7.4416,Ap,18.0,-1.4525,Ap,19.0,-414.4333591,2.57551 |
| 106419,Cs,Cs,-6.5115,Ap,23.0,2.3529,Ap,24.0,-402.92544103,1.79651 |
| 63434,Cs,Cs,-7.4021,Ap,26.0,0.4248,App,10.0,-424.1309287,4.25837 |
| 124461,Cs,Cs,-8.3955,Ap,25.0,-0.9763,App,10.0,-431.26965323,5.30309 |
| 106415,Cs,Cs,-6.0251,Ap,23.0,2.3639,Ap,24.0,-367.03354363,2.00816 |
| 133810,Cs,Cs,-6.984,App,11.0,2.3133,Ap,27.0,-570.41365342,2.84204 |
| 19315,D2,C2,-6.8554,B,14.0,0.1222,A,16.0,-382.30439406,0.75721 |
| 127418,Cs,Cs,-5.7457,App,7.0,1.1184,App,8.0,-383.2148438,2.27649 |
| 68577,Cs,Cs,-6.8664,Ap,24.0,1.7013,Ap,25.0,-349.78937136,0.69061 |
| 7821,Cs,Cs,-7.7104,Ap,19.0,2.4478,Ap,20.0,-314.27191687,0.12276 |
| 7822,Cs,Cs,-6.4372,Ap,19.0,2.5363,Ap,20.0,-350.16909606,1.15123 |
| 106407,Cs,Cs,-6.5616,App,12.0,2.7253,Ap,24.0,-388.14507943,0.9553 |
| 121835,Cs,Cs,-7.0375,App,11.0,2.0587,Ap,27.0,-390.63683471,1.45029 |
| 10839,Cs,Cs,-5.9962,Ap,20.0,-0.2495,Ap,21.0,-364.99171708,2.9539 |
| 33565,Cs,Cs,-6.8247,App,10.0,1.0623,Ap,23.0,-348.58586818,0.87097 |
| 39622,C2,C2,-5.97,B,15.0,0.4965,B,16.0,-386.98131175,2.4346 |
| 57991,Cs,Cs,-6.4287,App,7.0,0.8675,App,8.0,-403.02349513,3.58145 |
| 24319,C2v,C2v,-4.7017,A2,2.0,-0.2864,B2,4.0,-363.56581054,2.73326 |
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| 63508,Cs,Cs,-6.9344,App,14.0,-1.8062,Ap,21.0,-458.796238,3.35363 |
| 122291,Cs,Cs,-7.0227,App,10.0,2.2681,Ap,26.0,-388.14786642,1.56606 |
| 12425,C2,C2,-5.1906,A,16.0,-0.6821,B,14.0,-378.63140045,2.04387 |
| 47278,Cs,Cs,-7.0113,Ap,19.0,-1.9047,App,15.0,-453.78871047,2.55139 |
| 7579,Cs,Cs,-6.7498,App,11.0,1.9177,Ap,22.0,-350.12924341,1.4455 |
| 74054,Cs,C1,-5.7387,,,-0.1366,,,-403.08855235,5.83277 |
| 26497,Cs,Cs,-6.1043,App,8.0,0.2956,App,9.0,-401.8420303,1.14648 |
| 65881,Cs,Cs,-6.3033,App,8.0,-0.1347,App,9.0,-348.58402458,1.32826 |
| 117710,Cs,Cs,-7.2233,App,10.0,0.4191,App,11.0,-461.24668344,4.03174 |
| 38732,C3v,C3v,-6.9808,App,12.0,2.4376,Ap,22.0,-349.90130678,0.16801 |
| 117089,Cs,C1,-6.3442,,,-0.749,,,-456.23616935,0.98891 |
| 73,Cs,Cs,-6.4887,Ap,16.0,1.1639,App,5.0,-248.37161169,3.59724 |
| 174,C2v,C2v,-8.6894,B1,6.0,-1.3189,B2,3.0,-261.90721732,3.30797 |
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| 43846,Cs,Cs,-6.9166,Ap,25.0,-2.2057,App,9.0,-457.62180097,5.33358 |
| 99956,Cs,Cs,-6.6514,Ap,26.0,-2.4708,App,10.0,-424.13342307,1.27372 |
| 1274,Cs,Cs,-6.488,Ap,22.0,-0.1074,App,7.0,-310.88708196,2.6147 |
| 98790,Cs,Cs,-6.169,App,7.0,0.4716,App,8.0,-438.98806052,2.52106 |
| 123248,Cs,Cs,-6.6309,App,9.0,2.5476,Ap,29.0,-390.6409583,0.97605 |
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| 57700,Cs,C1,-6.8698,,,-0.6923,,,-422.8483847,2.56749 |
| 13205,Cs,Cs,-6.6224,App,7.0,0.6675,App,8.0,-400.88131149,5.13763 |
| 14036,Cs,Cs,-6.4806,App,10.0,0.6974,App,11.0,-347.69365142,2.02673 |
| 363,Cs,Cs,-6.6852,App,5.0,1.8926,App,6.0,-323.56475155,2.28813 |
| 124099,C2v,Cs,-6.3138,App,13.0,-1.2081,App,14.0,-416.66671125,2.87077 |
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| 2682,Cs,Cs,-6.4805,Ap,22.0,0.8866,App,7.0,-326.89065064,3.02187 |
| 57345,Cs,C1,-6.7413,,,-1.4407,,,-424.12527802,2.85018 |
| 1133,Cs,Cs,-6.8923,App,8.0,0.9932,App,9.0,-325.69825547,3.04163 |
| 4956,C2v,C2v,-7.1722,B1,3.0,-2.1721,B1,4.0,-454.25814235,5.06044 |
| 65258,Cs,Cs,-6.8841,App,13.0,2.2965,Ap,23.0,-352.30640629,0.0925 |
| 19088,C2v,C2v,-6.408,B1,7.0,2.2582,A1,12.0,-383.56235047,1.49444 |
| 22411,Cs,Cs,-6.6659,App,9.0,0.0437,App,10.0,-438.85540557,1.23432 |
| 19079,C2v,C2v,-5.0152,B1,10.0,1.956,B2,6.0,-343.7569818,2.30894 |
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| 65080,Cs,Cs,-5.982,Ap,23.0,2.2039,Ap,24.0,-367.03553749,2.06175 |
| 13930,Cs,Cs,-7.1604,Ap,22.0,-0.1326,App,9.0,-419.51594725,3.33989 |
| 99202,Cs,Cs,-6.5483,App,7.0,0.4682,App,8.0,-422.90649453,1.74411 |
| 85394,Cs,Cs,-6.4378,Ap,21.0,-0.687,App,14.0,-455.05229021,3.15406 |
| 116639,Cs,Cs,-6.869,App,10.0,0.25,App,11.0,-400.49338997,3.56948 |
| 16365,Cs,Cs,-6.9241,Ap,20.0,2.5095,Ap,21.0,-312.99887119,0.16076 |
| 54385,Cs,Cs,-6.5023,Ap,25.0,0.8384,App,10.0,-438.91898665,2.09734 |
| 62882,Cs,Cs,-6.2984,Ap,25.0,2.2421,Ap,26.0,-402.92983583,2.21061 |
| 7435,C2,C2,-7.3509,A,17.0,-1.0618,B,16.0,-421.96097351,1.83449 |
| 63265,Cs,Cs,-7.0081,Ap,23.0,0.6081,App,13.0,-424.15724739,4.34551 |
| 6180,Cs,Cs,-6.472,App,8.0,-0.7403,App,9.0,-363.78082641,4.32016 |
| 37007,C2,C2,-5.619,A,18.0,1.6061,B,17.0,-422.83221631,0.49076 |
| 130496,C2v,C2v,-7.6285,A1,15.0,-3.3755,B2,4.0,-447.49687352,3.98728 |
| 13872,Cs,Cs,-6.2531,Ap,19.0,0.985,App,13.0,-313.03658376,0.12862 |
| 17910,Cs,Cs,-5.8063,Ap,19.0,0.1159,App,11.0,-310.57331817,0.03614 |
| 128455,Cs,Cs,-7.1933,Ap,27.0,-1.1169,App,7.0,-469.86015321,5.62095 |
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| 77492,Cs,Cs,-6.2972,App,11.0,0.3964,Ap,24.0,-402.9927451,1.9699 |
| 118673,Cs,Cs,-6.7505,Ap,22.0,-0.5577,App,15.0,-461.21647503,0.93346 |
| 50971,Cs,Cs,-6.7073,App,13.0,-0.9814,Ap,21.0,-421.6506613,2.80989 |
| 12695,C2,C2,-6.0142,A,17.0,1.8131,B,15.0,-381.06524204,3.69589 |
| 14,C2v,C2v,-6.7507,B1,2.0,2.6176,A1,7.0,-154.92718338,1.25125 |
| 53981,Cs,Cs,-6.7408,Ap,26.0,0.5169,App,10.0,-456.23289238,1.92423 |
| 118660,Cs,Cs,-7.1796,App,14.0,1.1538,Ap,22.0,-440.13899643,5.30401 |
| 123192,Cs,Cs,-7.5362,App,8.0,0.418,Ap,28.0,-404.25362219,4.6918 |
| 52733,Cs,Cs,-6.4664,Ap,20.0,-0.7097,App,13.0,-384.50348137,3.04218 |
| 2075,Cs,Cs,-6.5193,App,10.0,-0.4101,Ap,18.0,-345.57509888,1.65232 |
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| 13913,Cs,Cs,-6.9534,App,8.0,0.7606,App,9.0,-363.73798047,2.53474 |
| 39789,C2v,C2v,-6.0921,B1,10.0,2.4158,A1,15.0,-385.6487248,1.99354 |
| 7728,Cs,Cs,-6.1662,Ap,18.0,-1.0182,Ap,19.0,-399.69028346,3.01865 |
| 89547,Cs,Cs,-6.5981,Ap,25.0,1.179,App,10.0,-403.05292215,4.03956 |
| 124583,Cs,C1,-6.0019,,,1.0047,,,-383.20629525,2.26821 |
| 8359,Cs,Cs,-5.9514,Ap,22.0,2.2887,Ap,23.0,-328.98751232,2.10785 |
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| 133700,Cs,Cs,-5.9667,Ap,24.0,2.3117,Ap,25.0,-549.31829786,1.50249 |
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| 645,C2v,C2v,-5.9377,B2,5.0,0.6354,A2,2.0,-233.19969888,0.1416 |
| 4538,Cs,C1,-4.9828,,,1.5921,,,-327.88918063,1.95947 |
| 53525,Cs,Cs,-6.8055,App,11.0,-0.909,App,12.0,-437.72773731,6.00148 |
| 64121,C2,C2,-6.8339,B,17.0,1.9159,A,20.0,-425.34137238,1.54022 |
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| 1697,Cs,Cs,-8.1615,App,7.0,1.0218,App,8.0,-288.5738381,4.10339 |
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| 30431,Cs,Cs,-4.6978,App,7.0,1.0711,App,8.0,-419.10232342,3.21544 |
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| 8400,Cs,Cs,-5.9288,Ap,20.0,2.0627,Ap,21.0,-328.98771107,2.09335 |
| 63745,Cs,Cs,-6.2712,App,12.0,2.2105,Ap,24.0,-388.19680308,1.4935 |
| 6583,C2v,C2v,-7.5132,B1,9.0,2.4534,A1,14.0,-313.02591959,0.03814 |
| 6596,Cs,C1,-6.544,,,-0.5669,,,-347.67271456,3.02514 |
| 1138,Cs,Cs,-6.7858,App,8.0,2.1536,Ap,21.0,-310.84524177,1.63791 |
| 8505,C2v,C2v,-5.959,B1,6.0,2.7603,A1,15.0,-347.6314845,1.65556 |
| 36602,Cs,Cs,-6.4208,Ap,24.0,0.9751,Ap,25.0,-381.89327322,2.17998 |
| 988,C2v,C2v,-5.7149,A2,2.0,0.9378,B2,4.0,-308.46187767,1.11518 |
| 63336,Cs,Cs,-6.6249,App,9.0,0.2788,App,10.0,-435.16233491,3.03372 |
| 43095,C2,C2,-6.3678,B,15.0,-0.1681,B,16.0,-421.6934024,1.4711 |
| 42527,Cs,Cs,-6.0589,Ap,20.0,-0.4752,Ap,21.0,-401.77840707,2.44435 |
| 37845,D2,C2,-5.2556,A,17.0,2.4503,A,18.0,-381.88638157,0.28593 |
| 59266,Cs,Cs,-5.8931,Ap,22.0,2.329,Ap,23.0,-404.22606787,0.73204 |
| 42030,C2,C2,-6.6119,B,16.0,2.3314,A,20.0,-424.1358046,1.5744 |
| 41957,Cs,Cs,-5.666,Ap,22.0,1.8765,Ap,23.0,-440.15056203,2.13585 |
| 54386,Cs,C1,-6.3969,,,0.0364,,,-438.88471707,2.14501 |
| 71881,Cs,Cs,-6.7396,App,13.0,2.59,Ap,22.0,-351.0577779,0.15563 |
| 32612,Cs,Cs,-5.6308,Ap,22.0,-0.1289,Ap,23.0,-401.87846434,7.12601 |
| 1702,Cs,Cs,-7.2485,Ap,19.0,0.6362,App,8.0,-324.46092893,2.86159 |
| 62301,Cs,Cs,-6.7502,App,8.0,0.7264,App,9.0,-400.51836041,3.26282 |
| 10694,Cs,Cs,-6.3237,Ap,20.0,0.9657,Ap,21.0,-343.87408787,3.46387 |
| 748,Cs,Cs,-6.9665,Ap,14.0,0.0808,Ap,15.0,-281.37769492,0.49312 |
| 5902,Cs,Cs,-6.8852,Ap,21.0,1.1835,Ap,22.0,-310.51228504,0.16242 |
| 5113,Cs,Cs,-4.2879,App,12.0,1.9685,Ap,19.0,-399.67052561,0.48168 |
| 14702,C2h,C2h,-6.5636,Au,4.0,1.6377,Ag,13.0,-384.77729843,0.0 |
| 24989,Cs,Cs,-5.0848,Ap,21.0,0.2375,App,13.0,-489.6885772,2.94292 |
| 12309,C2,C2,-6.5797,A,16.0,-0.8262,B,15.0,-415.7689427,7.00756 |
| 64297,Cs,Cs,-6.1138,App,9.0,-0.5461,App,10.0,-385.75163572,1.18086 |
| 26708,C2v,C2v,-4.1495,A2,3.0,1.6346,A1,16.0,-471.02466403,2.57062 |
| 10792,C2h,C2h,-6.7395,Bg,5.0,-0.8603,Bu,10.0,-383.66974269,0.0 |
| 98584,Cs,Cs,-6.3262,Ap,24.0,-0.0949,App,12.0,-388.22338438,2.41101 |
| 117190,Cs,Cs,-6.408,Ap,26.0,-0.0685,App,10.0,-388.22273359,2.55472 |
| 66380,Cs,Cs,-6.6178,Ap,24.0,-0.5816,App,12.0,-424.13019807,1.39001 |
| 130322,Cs,Cs,-6.1001,Ap,20.0,-2.1658,Ap,21.0,-485.81548324,2.54527 |
| 122858,Cs,Cs,-6.7863,App,8.0,0.5431,App,9.0,-461.25611053,2.61622 |
| 7695,Cs,Cs,-6.2339,App,11.0,2.5936,Ap,21.0,-348.90933283,1.53318 |
| 75572,C2,C2,-5.6887,A,18.0,0.0943,B,17.0,-351.1072622,0.17021 |
| 8346,Cs,C1,-6.89,,,0.5256,,,-379.70857274,2.31666 |
| 42098,C2,C2,-7.9152,B,17.0,2.0027,A,19.0,-352.33715511,0.02798 |
| 38280,Cs,Cs,-5.3149,Ap,22.0,0.9896,App,12.0,-349.84680715,0.07406 |
| 65019,Cs,Cs,-6.6814,App,13.0,-0.8041,App,14.0,-438.96317335,6.04454 |
| 10781,C2v,C2v,-6.7425,A2,3.0,1.2352,A1,14.0,-386.02012486,1.19189 |
| 63331,Cs,Cs,-6.5586,Ap,25.0,-0.918,App,10.0,-439.01457209,2.75603 |
| 2699,Cs,Cs,-7.1614,App,6.0,1.072,Ap,22.0,-325.68963283,4.76178 |
| 68453,Cs,Cs,-6.9429,Ap,25.0,0.5965,App,10.0,-422.93663094,4.43602 |
| 68183,Cs,Cs,-6.0109,Ap,23.0,1.9655,Ap,24.0,-404.21399081,0.70262 |
| 26701,C2,C2,-4.6823,A,18.0,1.2464,B,17.0,-451.16592856,1.29832 |
| 3627,D2d,C2v,-5.7966,B1,7.0,2.7515,B2,6.0,-271.25671269,0.04277 |
| 59107,Cs,Cs,-7.3424,Ap,22.0,2.0821,Ap,23.0,-353.51341512,0.04257 |
| 57996,Cs,C1,-6.8429,,,0.2433,,,-455.02791408,3.79886 |
| 14491,Cs,Cs,-8.0418,App,7.0,0.9294,App,8.0,-326.59300199,4.02697 |
| 31790,Cs,Cs,-5.0644,App,7.0,1.5527,App,8.0,-419.11842553,2.49879 |
| 44498,Cs,Cs,-6.9326,App,8.0,0.9824,App,9.0,-473.57203132,2.64132 |
| 54583,Cs,C1,-6.2689,,,-0.0814,,,-386.98526589,2.66485 |
| 36596,Cs,Cs,-6.0982,Ap,24.0,1.5763,Ap,25.0,-365.7933917,1.31423 |
| 42138,D3,D3,-7.938,A,19.0,2.3871,A,20.0,-353.52946428,4e-05 |
| 90274,Cs,Cs,-5.6868,Ap,22.0,1.2104,App,13.0,-351.1231227,0.01368 |
| 9356,Cs,Cs,-6.9875,App,7.0,0.539,App,8.0,-421.97039713,2.51835 |
| 12120,Ci,Ci,-6.5223,Ag,16.0,2.0225,Ag,17.0,-384.77919421,0.0 |
| 130472,C2v,C2v,-6.3059,A2,2.0,-1.8474,B2,4.0,-415.45177871,4.39078 |
| 10161,Cs,Cs,-6.7695,App,11.0,-0.8515,App,12.0,-400.9149947,5.96049 |
| 712,C2v,C2v,-6.8498,A1,8.0,1.1979,B2,5.0,-304.93723355,3.43283 |
| 8955,Ci,Ci,-6.6381,Ag,17.0,2.5877,Ag,18.0,-387.24142618,0.0 |
| 14801,C2h,C2h,-7.0059,Bg,4.0,2.2642,Bu,13.0,-387.24217371,0.0 |
| 122883,Cs,Cs,-6.681,App,11.0,2.1713,Ap,27.0,-390.63371978,1.025 |
| 96650,Cs,Cs,-6.3679,App,7.0,-0.3005,App,8.0,-419.11174205,1.54733 |
| 38297,C2v,C2v,-7.4129,A2,5.0,2.1581,A1,14.0,-351.06274788,0.03386 |
| 57621,Cs,Cs,-8.2164,App,13.0,-0.0669,Ap,21.0,-417.8864159,4.51051 |
| 57547,Cs,Cs,-6.8934,Ap,25.0,1.7007,Ap,26.0,-352.27168942,0.78825 |
| 5858,C3v,C3v,-6.3889,Ap,21.0,-0.0507,Ap,22.0,-310.53293994,1.17108 |
| 97331,Cs,Cs,-6.6785,App,7.0,0.3687,App,8.0,-456.23625022,1.82151 |
| 133535,Cs,Cs,-6.7478,Ap,24.0,2.3748,Ap,25.0,-549.3281029,0.76909 |
| 2854,Cs,Cs,-7.0371,Ap,16.0,2.6854,Ap,17.0,-274.94509124,0.10744 |
| 52851,Cs,Cs,-6.5548,App,11.0,1.4239,App,12.0,-422.87180692,1.71579 |
| 63240,Cs,Cs,-6.9882,Ap,25.0,0.2521,App,10.0,-422.94122477,4.08347 |
| 6862,Cs,Cs,-6.8459,App,11.0,2.2135,Ap,22.0,-386.05494248,1.83512 |
| 36038,Cs,Cs,-7.0434,App,10.0,1.0395,Ap,24.0,-365.89453294,3.92745 |
| 7404,C2,C2,-6.5058,B,14.0,-2.3679,B,15.0,-451.67284341,3.92494 |
| 99940,Cs,C1,-7.0152,,,-1.423,,,-386.97122757,4.03352 |
| 52450,C2v,C2v,-7.1193,A2,3.0,0.5615,A2,4.0,-456.17847056,6.23592 |
| 6942,Cs,Cs,-5.7626,App,8.0,0.1395,App,9.0,-363.80193815,3.12752 |
| 5814,C2v,C2v,-6.3371,B2,7.0,2.2157,A1,13.0,-350.14679528,1.56119 |
| 33263,Cs,Cs,-5.3174,App,11.0,1.379,Ap,24.0,-403.05211609,3.25171 |
| 121735,Cs,Cs,-7.1273,Ap,28.0,0.6584,App,9.0,-425.37748886,1.75642 |
| 14528,Cs,Cs,-6.2328,App,10.0,1.9273,Ap,22.0,-348.88607991,1.4322 |
| 50144,Cs,Cs,-6.8464,Ap,25.0,-0.8624,App,9.0,-437.7501337,6.07847 |
| 65790,Cs,Cs,-6.5997,Ap,22.0,0.6609,App,13.0,-386.97986801,1.53296 |
| 41745,Cs,Cs,-6.5331,Ap,23.0,2.5018,Ap,24.0,-386.98964066,1.40578 |
| 232,Cs,Cs,-6.4387,Ap,16.0,1.8443,Ap,17.0,-234.43410386,0.1119 |
| 133520,Cs,Cs,-7.5347,App,13.0,0.5358,Ap,21.0,-529.55889563,1.59971 |
| 105525,Cs,Cs,-6.9762,App,11.0,2.4013,Ap,25.0,-352.27226116,0.05218 |
| 37076,Cs,Cs,-6.5771,Ap,22.0,2.2971,Ap,23.0,-438.91387163,1.87275 |
| 2029,Cs,Cs,-5.7502,Ap,19.0,2.354,Ap,20.0,-325.62727421,2.52367 |
| 59187,Cs,Cs,-6.5783,Ap,23.0,0.1949,Ap,24.0,-402.97834028,1.94728 |
| 48218,C3,C3,-7.9859,A,32.0,-2.1214,A,33.0,-472.42527808,0.59006 |
| 124854,Cs,Cs,-6.4708,App,8.0,0.5488,App,9.0,-398.0228778,3.25099 |
| 130634,C2v,C2v,-6.8372,B1,10.0,-2.2408,B1,11.0,-452.59600532,1.90241 |
| 43844,Cs,Cs,-6.1893,Ap,20.0,-2.2957,Ap,21.0,-421.70309865,4.5403 |
| 58523,Cs,Cs,-6.2678,Ap,22.0,0.9824,App,14.0,-352.31718002,0.14115 |
| 76785,Cs,Cs,-6.8384,Ap,23.0,2.2471,Ap,24.0,-352.28087068,0.20558 |
| 18122,C2v,C2v,-7.9096,B2,8.0,2.1969,A1,12.0,-313.05746467,0.12879 |
| 27157,Cs,Cs,-5.9754,App,8.0,0.2981,App,9.0,-417.86692997,2.45453 |
| 1103,Cs,C1,-7.9836,,,2.1442,,,-276.17743816,0.03944 |
| 24866,Cs,C2v,-6.628,B2,4.0,0.1086,B2,5.0,-466.07973009,1.23714 |
| 121638,Cs,Cs,-6.3268,App,8.0,0.9837,App,9.0,-441.38555401,2.47629 |
| 10681,Cs,Cs,-7.6091,App,10.0,1.0958,Ap,21.0,-327.8562166,4.04185 |
| 62880,Cs,Cs,-7.0009,Ap,25.0,2.8311,Ap,26.0,-351.0067887,0.07394 |
| 117620,Cs,C1,-6.4592,,,1.8693,,,-388.1692213,1.31848 |
| 53052,Cs,Cs,-5.7175,App,7.0,-0.1983,App,8.0,-385.76249646,2.29363 |
| 124450,Cs,Cs,-7.0126,App,9.0,-0.0233,App,10.0,-403.03942415,2.7877 |
| 57273,Cs,Cs,-8.075,Ap,23.0,1.262,Ap,24.0,-367.14061748,3.81543 |
| 98198,Cs,Cs,-6.7879,App,10.0,0.5733,App,11.0,-461.25120579,2.70968 |
| 42531,C2,C2,-6.6114,B,15.0,-1.5793,B,16.0,-457.53215128,2.69512 |
| 31573,Cs,Cs,-5.5189,App,7.0,0.9943,App,8.0,-438.98633771,0.49254 |
| 33285,C3v,C3v,-6.3919,Ap,23.0,-0.2792,App,9.0,-347.32682426,1.14218 |
| 74259,Cs,Cs,-5.6213,App,9.0,0.2916,App,10.0,-403.09520717,3.50943 |
| 23912,Cs,Cs,-6.9117,Ap,21.0,2.4594,Ap,22.0,-510.04030505,0.90491 |
| 22041,Cs,Cs,-6.6771,App,10.0,0.2036,App,11.0,-441.31751446,2.19264 |
| 100129,Cs,Cs,-6.6996,App,10.0,1.1899,Ap,26.0,-424.0473033,0.63128 |
| 38641,C2,C2,-6.0119,B,16.0,0.8692,A,18.0,-349.87747368,0.2086 |
| 23808,C2v,C2v,-6.7701,B2,11.0,-1.4218,A2,3.0,-462.51882886,2.16523 |
| 63843,C2v,C2v,-7.2749,B2,8.0,2.2203,A1,16.0,-352.30540614,0.05852 |
| 11865,Cs,Cs,-6.291,Ap,22.0,-1.0492,App,8.0,-346.51594939,3.88185 |
| 1131,C2,C2,-6.4708,B,14.0,2.3137,A,16.0,-312.07919451,1.08743 |
| 60890,Cs,C1,-6.3829,,,0.9795,,,-403.00930651,3.82089 |
| 7722,Cs,Cs,-6.6257,App,12.0,-0.9009,Ap,19.0,-383.67210699,3.69801 |
| 124535,Cs,C1,-6.1102,,,0.9201,,,-383.21019886,2.44662 |
| 26363,Cs,C1,-5.581,,,1.2192,,,-383.22231556,3.85927 |
| 18094,C2v,C2v,-5.69,A1,11.0,1.2399,B1,7.0,-311.83802422,0.05707 |
| 23522,Cs,Cs,-6.8328,App,11.0,0.3151,App,12.0,-474.72134694,1.05473 |
| 124863,Cs,Cs,-7.5395,App,8.0,-1.7985,App,9.0,-433.8480746,3.18808 |
| 68286,Cs,Cs,-7.2621,Ap,23.0,2.5509,Ap,24.0,-351.02935756,0.20624 |
| 24993,Cs,Cs,-6.147,Ap,21.0,0.7836,App,13.0,-457.64489008,5.29702 |
| 750,Cs,C1,-8.6131,,,-1.245,,,-313.40982593,4.83558 |
| 474,Cs,Cs,-5.5969,Ap,15.0,2.3592,Ap,16.0,-251.68007752,1.44928 |
| 314,C2v,C2v,-6.7471,A2,2.0,1.9793,A1,11.0,-307.45149862,1.43652 |
| 52863,Cs,C1,-6.3284,,,-0.1992,,,-385.75942697,2.9096 |
| 5950,Cs,Cs,-7.24,Ap,23.0,0.4313,App,10.0,-421.96623394,3.91943 |
| 746,Cs,Cs,-6.6494,App,8.0,0.5566,Ap,15.0,-281.3823598,6.06554 |
| 2350,Cs,C1,-6.2145,,,1.0684,,,-325.70439229,4.03682 |
| 23996,C2v,C2v,-6.9432,A2,2.0,-1.7912,B2,4.0,-394.4223012,1.59269 |
| 1928,Cs,Cs,-6.294,Ap,16.0,2.5657,Ap,17.0,-273.71682562,0.32129 |
| 27537,Cs,Cs,-6.0555,App,8.0,0.3388,App,9.0,-417.87041592,0.99845 |
| 62297,Cs,Cs,-6.2445,App,8.0,1.303,App,9.0,-384.41926631,1.72538 |
| 12118,Ci,Ci,-6.9518,Ag,16.0,2.2733,Au,16.0,-384.78769957,0.0 |
| 122840,Cs,C1,-6.7745,,,0.4928,,,-461.2617981,0.67628 |
| 2640,C2v,C2v,-7.0974,B2,10.0,-1.0187,B1,4.0,-381.44490219,0.57861 |
| 124466,Cs,Cs,-6.7368,App,9.0,-0.0553,App,10.0,-438.93651921,3.09074 |
| 8804,C2h,C2h,-6.4318,Ag,13.0,-0.5967,Au,4.0,-416.98931946,0.0 |
| 26167,Cs,Cs,-5.9068,Ap,25.0,0.3467,App,10.0,-419.10272135,1.04034 |
| 8160,Cs,Cs,-6.1842,Ap,22.0,0.0097,App,9.0,-347.72646707,2.9027 |
| 98975,C2,C2,-6.6597,B,17.0,-0.987,A,19.0,-424.15943166,1.46279 |
| 128483,Cs,Cs,-5.2792,App,7.0,0.9085,App,8.0,-419.09017194,1.3736 |
| 993,Cs,C1,-4.9443,,,1.5439,,,-360.38157149,3.14735 |
| 26251,Cs,Cs,-5.8868,App,9.0,0.737,App,10.0,-455.00295869,0.98132 |
| 99948,Cs,Cs,-7.7601,Ap,25.0,-2.151,App,10.0,-403.06106898,3.79548 |
| 124482,Cs,C1,-6.3638,,,0.2937,,,-399.23257202,4.78187 |
| 57502,Cs,Cs,-7.8478,Ap,25.0,-2.23,App,10.0,-403.06183808,3.56595 |
| 133640,Cs,Cs,-8.2529,App,10.0,-0.0828,Ap,26.0,-584.02037754,4.39964 |
| 59864,Cs,C1,-6.3709,,,1.179,,,-405.51389393,3.32211 |
| 14697,C2h,C2h,-6.3852,Au,4.0,1.7958,Ag,13.0,-313.00180002,0.0 |
| 123196,Cs,Cs,-7.0873,App,8.0,1.0888,Ap,28.0,-404.2627868,4.75476 |
| 124542,Cs,C1,-5.5573,,,0.8111,,,-419.09390027,0.4665 |
| 135,C2v,C2v,-6.6507,B1,3.0,2.6588,A1,10.0,-233.50572699,1.00743 |
| 26143,Cs,Cs,-5.0685,App,9.0,1.4909,App,10.0,-367.17415414,1.98111 |
| 98167,Cs,Cs,-7.727,Ap,25.0,-0.0528,App,10.0,-438.9873647,5.53882 |
| 48190,Cs,Cs,-9.026,Ap,21.0,-2.8449,App,10.0,-430.25685161,2.41635 |
| 119009,Cs,Cs,-6.5781,Ap,24.0,2.3719,Ap,25.0,-461.22607425,1.30294 |
| 47274,Cs,Cs,-6.6417,App,13.0,-3.1933,Ap,21.0,-473.65041164,4.26584 |
| 63394,Cs,Cs,-7.0395,App,11.0,2.3884,Ap,25.0,-352.28238385,0.0294 |
| 3488,C2,C2,-6.3936,B,12.0,2.7567,A,15.0,-308.3811029,1.65558 |
| 157,Cs,C2v,-6.1631,B1,3.0,0.6173,A2,2.0,-231.07188569,1.69379 |
| 41042,Cs,Cs,-6.079,App,13.0,1.9585,App,14.0,-384.41799236,1.46858 |
| 64112,Cs,Cs,-6.1565,App,9.0,-0.5444,App,10.0,-385.75131651,1.20182 |
| 2359,Cs,Cs,-6.453,Ap,18.0,2.0799,Ap,19.0,-310.83935556,2.07705 |
| 360,Cs,Cs,-7.2223,Ap,19.0,0.5957,App,6.0,-307.52076505,1.63689 |
| 59562,Cs,Cs,-6.8929,Ap,22.0,2.2508,Ap,23.0,-352.30578384,0.19498 |
| 123259,C2v,C2v,-6.6318,A2,4.0,2.4864,A1,16.0,-426.52986502,1.92151 |
| 643,Cs,Cs,-6.8903,App,7.0,2.1798,Ap,17.0,-270.32432942,1.9402 |
| 5083,Cs,Cs,-5.4241,App,6.0,0.9987,App,7.0,-347.75428729,0.90213 |
| 122876,Cs,Cs,-7.8723,Ap,26.0,2.2221,Ap,27.0,-354.74905242,0.05478 |
| 2689,Cs,Cs,-6.5658,App,6.0,0.8798,App,7.0,-326.89701177,2.95639 |
| 6103,Ci,Ci,-7.9731,Ag,17.0,2.3811,Ag,18.0,-315.46558599,0.0 |
| 24356,C2,C2,-5.5348,A,18.0,0.7841,B,16.0,-457.59798035,2.16405 |
| 710,C2v,C2v,-5.3295,B1,7.0,1.9785,A1,9.0,-265.19519187,3.12738 |
| 77718,Cs,Cs,-5.8003,Ap,22.0,2.438,Ap,23.0,-351.06489316,0.33846 |
| 35674,C2,C2,-8.7535,B,15.0,0.4475,A,18.0,-380.78934062,0.31449 |
| 27400,C2v,C2v,-6.1621,B1,11.0,-0.406,B2,5.0,-493.53980891,6.71565 |
| 20377,Cs,Cs,-8.2126,App,7.0,-1.1673,App,8.0,-390.74040447,5.23419 |
| 121733,Cs,C1,-6.5297,,,-0.1461,,,-425.33223415,3.55195 |
| 1526,Cs,Cs,-6.6415,App,6.0,1.938,App,7.0,-362.8537896,2.37076 |
| 28455,Cs,C1,-6.3545,,,-0.5972,,,-382.03668736,2.33231 |
| 123078,Cs,C1,-6.4568,,,1.8493,,,-388.17469925,0.84423 |
| 389,Cs,Cs,-6.9758,App,10.0,2.0784,Ap,16.0,-308.67469576,2.86495 |
| 1888,Cs,Cs,-8.0539,App,12.0,2.3431,Ap,17.0,-274.97886689,0.14375 |
| 106830,Cs,Cs,-6.3453,Ap,20.0,2.4181,App,16.0,-388.18698942,1.80693 |
| 12146,Cs,Cs,-6.8883,App,9.0,2.0573,Ap,22.0,-347.65484595,1.90178 |
| 5828,Cs,Cs,-7.7876,Ap,22.0,-2.1751,App,9.0,-363.78020801,3.69379 |
| 133747,Cs,Cs,-7.1183,App,13.0,2.2709,Ap,25.0,-570.41262188,2.95731 |
| 117484,Cs,Cs,-6.397,App,7.0,-0.2067,App,8.0,-403.01192674,1.59892 |
| 64355,C2,C2,-6.3414,B,17.0,1.9603,A,20.0,-389.43151222,1.77239 |
| 561,Cs,Cs,-6.6344,App,5.0,0.9907,App,6.0,-286.39598351,2.10753 |
| 52521,Cs,C1,-6.6998,,,-1.1388,,,-385.75497257,3.36081 |
| 26942,Cs,Cs,-5.5353,App,8.0,0.7689,App,9.0,-401.81267986,1.42089 |
| 123114,Cs,Cs,-6.7746,App,8.0,1.0535,App,9.0,-441.36786147,0.55679 |
| 76374,Cs,Cs,-6.3257,Ap,24.0,-0.0167,App,12.0,-388.2229556,2.75779 |
| 108253,Cs,Cs,-6.48,App,12.0,2.2085,Ap,24.0,-388.18120919,1.24977 |
| 63131,Cs,Cs,-6.1396,App,11.0,0.0752,Ap,24.0,-386.99940495,2.9795 |
| 19440,C2,C2,-6.4787,A,16.0,2.5758,B,15.0,-311.75720684,0.19323 |
| 113076,Cs,Cs,-6.3421,Ap,22.0,2.3646,Ap,23.0,-389.41915632,1.68425 |
| 6859,Cs,Cs,-6.4853,Ap,21.0,2.1963,Ap,22.0,-350.15695135,1.35762 |
| 12,C2v,C2v,-8.737,B1,2.0,2.7078,A1,7.0,-119.04787834,0.05564 |
| 24863,C2v,C2v,-7.0703,B1,12.0,-2.5935,B2,4.0,-436.58853605,4.26451 |
| 124453,Cs,Cs,-8.4647,App,9.0,-1.7601,App,10.0,-435.08382871,2.97562 |
| 122288,Cs,Cs,-6.713,App,10.0,2.6053,Ap,26.0,-388.14473018,1.00097 |
| 18983,Cs,Cs,-6.6096,App,10.0,1.8061,Ap,21.0,-419.44429738,1.05377 |
| 126598,Cs,Cs,-6.5746,App,11.0,0.6445,Ap,24.0,-399.2374829,6.43783 |
| 3,D*h,Dinfh,-7.6014,B3u,1.0,1.5651,B3g,1.0,-77.27251619,0.0 |
| 1520,Cs,Cs,-6.8682,App,6.0,1.1629,App,7.0,-326.91716598,1.28748 |
| 14488,Cs,Cs,-6.7258,App,7.0,1.483,App,8.0,-310.49222149,0.54416 |
| 7357,Cs,C1,-6.3031,,,1.0388,,,-402.09195208,4.47845 |
| 117694,Cs,Cs,-6.8192,App,10.0,1.5413,Ap,26.0,-388.15883408,1.41227 |
| 1149,Cs,C2v,-6.0528,B2,6.0,2.8966,A1,13.0,-309.59028304,1.78601 |
| 58713,Cs,Cs,-6.5637,Ap,23.0,0.5967,Ap,24.0,-419.0451533,3.0954 |
| 1132,C2,C2,-6.7465,A,15.0,2.1286,A,16.0,-347.97114512,0.59825 |
| 32580,Cs,Cs,-5.1159,App,13.0,1.5771,Ap,22.0,-367.17474385,1.75638 |
| 77679,Cs,Cs,-6.2961,Ap,22.0,2.3354,Ap,23.0,-424.10284469,1.41468 |
| 38323,D2,C2,-6.1869,B,16.0,2.3623,B,17.0,-421.52350379,2.34189 |
| 43608,C2v,C2v,-7.7574,B2,6.0,-1.6675,B1,9.0,-415.45128074,2.00073 |
| 100096,Cs,Cs,-6.4362,App,13.0,1.9947,Ap,25.0,-426.53412431,0.38876 |
| 71993,Cs,Cs,-5.637,Ap,21.0,2.2317,Ap,22.0,-367.0673619,1.98296 |
| 29907,Cs,C1,-5.6246,,,0.9827,,,-398.00354524,3.22684 |
| 6229,Cs,Cs,-6.5881,Ap,19.0,2.2897,Ap,20.0,-314.22931499,0.0635 |
| 219,C3v,C3v,-8.5047,Ap,16.0,1.3052,Ap,17.0,-250.52336195,3.93152 |
| 10680,Cs,Cs,-6.4076,App,10.0,1.6517,Ap,21.0,-311.7558572,0.66633 |
| 364,Cs,Cs,-6.5635,Ap,19.0,0.4628,App,6.0,-323.54682314,1.7759 |
| 55627,Cs,Cs,-6.8838,App,9.0,0.8586,App,10.0,-403.00203919,1.09996 |
| 29684,Cs,C1,-4.7787,,,1.5446,,,-367.17734476,1.9108 |
| 29860,Cs,Cs,-5.0097,Ap,21.0,1.2074,Ap,22.0,-437.72514846,1.92553 |
| 99198,Cs,Cs,-6.8524,App,7.0,0.5453,App,8.0,-422.90576559,2.20581 |
| 15920,Cs,Cs,-7.6148,Ap,19.0,0.7039,Ap,20.0,-326.62391738,4.24132 |
| 63367,Cs,C2v,-6.0714,B1,9.0,-0.3068,B2,8.0,-388.22827456,2.5146 |
| 7414,Cs,Cs,-7.0893,App,6.0,-0.132,App,7.0,-416.99502012,2.27202 |
| 111135,Cs,C1,-6.2993,,,2.0002,,,-424.01609085,3.34873 |
| 2491,C3v,C3v,-7.1727,App,8.0,0.8774,Ap,16.0,-268.7325593,0.22812 |
| 133806,Cs,Cs,-8.7401,Ap,26.0,2.3753,Ap,27.0,-534.53013704,2.19515 |
| 17688,Cs,C1,-6.0078,,,2.4198,,,-327.74914718,2.10409 |
| 128477,Cs,Cs,-5.7955,App,7.0,0.5935,App,8.0,-438.94306924,2.1379 |
| 5968,Cs,Cs,-6.6694,App,9.0,1.4537,Ap,23.0,-348.8755459,1.4421 |
| 98531,Cs,C1,-6.2063,,,0.0422,,,-438.88729325,2.22173 |
| 26650,C2v,C2v,-5.1666,A2,3.0,1.0494,B2,5.0,-387.04662013,0.61234 |
| 1661,Cs,C1,-6.4365,,,1.1647,,,-326.94074027,3.42007 |
| 8604,Cs,Cs,-7.6758,App,9.0,0.2406,Ap,19.0,-324.1149604,3.71789 |
| 65154,Cs,Cs,-6.2355,App,11.0,-0.1568,Ap,24.0,-422.87629263,4.42632 |
| 30,Cs,Cs,-8.6703,App,3.0,1.0322,Ap,13.0,-171.95442529,3.89314 |
| 38794,C2,C2,-6.7284,B,16.0,2.4818,A,18.0,-349.83034681,0.01581 |
| 1096,Cs,Cs,-6.7324,App,9.0,2.2813,Ap,21.0,-312.06953983,1.04613 |
| 63328,Cs,Cs,-6.8852,Ap,25.0,-0.4176,App,10.0,-439.03746504,1.98751 |
| 124528,Cs,Cs,-6.761,Ap,25.0,-2.3671,App,9.0,-414.03360111,3.02226 |
| 367,Cs,C1,-6.5004,,,1.0073,,,-287.62140409,0.88558 |
| 122284,Cs,Cs,-6.4424,Ap,25.0,2.3452,Ap,26.0,-404.1689871,2.01579 |
| 36963,C2,C2,-7.0313,B,17.0,2.6767,A,19.0,-424.06288393,2.48655 |
| 63403,Cs,Cs,-6.5474,Ap,25.0,-0.3572,App,10.0,-419.10416109,5.14362 |
| 124619,Cs,Cs,-7.523,App,9.0,-1.2802,App,10.0,-471.02412804,4.01101 |
| 122290,Cs,Cs,-6.0582,Ap,25.0,2.2479,Ap,26.0,-404.15548528,1.78776 |
| 9348,Cs,Cs,-7.1341,Ap,25.0,0.6591,App,8.0,-386.09361673,1.88747 |
| 14240,C2,C2,-5.337,B,15.0,2.5614,B,16.0,-345.03987383,1.53853 |
| 504,D3d,D3d,-6.0514,Bg,2.0,0.1921,Bu,9.0,-231.97827835,0.0 |
| 5979,Cs,Cs,-6.748,Ap,23.0,-0.5731,App,10.0,-386.04998509,2.81274 |
| 5798,Cs,Cs,-6.3508,Ap,23.0,1.1097,App,10.0,-366.22791542,3.4562 |
| 63374,C2v,C2v,-6.1406,B1,7.0,0.6565,A2,6.0,-388.22820974,1.29033 |
| 133552,C3v,C3v,-6.6037,Ap,23.0,2.2356,Ap,24.0,-548.04428939,0.33769 |
| 6139,Cs,Cs,-6.7536,Ap,22.0,1.5886,Ap,23.0,-311.76051179,0.87383 |
| 53790,Cs,Cs,-6.3792,Ap,26.0,-1.6291,App,10.0,-440.21173195,1.11975 |
| 97433,Cs,Cs,-6.6459,App,10.0,0.804,App,11.0,-441.36186352,1.66681 |
| 117716,Cs,Cs,-6.7192,App,11.0,2.2728,Ap,27.0,-390.63383096,0.9931 |
| 63298,Cs,Cs,-6.8453,Ap,25.0,-0.8445,App,10.0,-438.99267239,6.14905 |
| 47276,Cs,Cs,-7.7246,App,13.0,-3.6595,Ap,21.0,-529.45200866,3.94632 |
| 63549,Cs,Cs,-6.469,Ap,21.0,0.8507,App,14.0,-386.99429364,1.83829 |
| 54298,Cs,Cs,-6.6004,Ap,26.0,0.3625,App,9.0,-455.04314369,3.80824 |
| 29646,Cs,Cs,-4.7836,App,7.0,1.4235,App,8.0,-419.15291879,4.04423 |
| 59457,Cs,Cs,-6.8372,Ap,20.0,2.154,Ap,21.0,-389.4149049,1.8009 |
| 123188,Cs,Cs,-6.8827,Ap,27.0,1.7586,Ap,28.0,-352.27365032,0.82505 |
| 20542,Cs,Cs,-7.6914,App,8.0,-0.5021,App,9.0,-379.81231804,1.97105 |
| 2011,Cs,Cs,-7.7109,Ap,19.0,2.6327,Ap,20.0,-273.6927042,0.22695 |
| 21031,Cs,Cs,-6.4236,App,6.0,0.5921,App,7.0,-359.98238069,2.96831 |
| 63808,Cs,Cs,-6.2286,App,11.0,2.6132,Ap,24.0,-386.95746547,1.38733 |
| 5057,Cs,Cs,-6.8225,App,11.0,-2.5212,App,12.0,-377.37738183,2.1326 |
| 123077,Cs,Cs,-6.5088,App,8.0,1.8098,Ap,28.0,-388.1754794,1.06614 |
| 20558,Cs,Cs,-8.4512,Ap,22.0,-1.0409,App,9.0,-391.98490155,5.21923 |
| 130902,C2v,C2v,-7.405,B1,12.0,-2.403,A2,3.0,-468.61260082,1.3721 |
| 80018,Cs,Cs,-5.8759,Ap,24.0,0.5286,App,11.0,-351.04861045,0.20166 |
| 65920,Cs,Cs,-6.4518,Ap,24.0,2.1728,Ap,25.0,-388.1717321,2.01215 |
| 44099,Cs,Cs,-6.1809,Ap,21.0,-0.2737,Ap,22.0,-385.82852632,2.86944 |
| 133491,Cs,Cs,-7.5278,Ap,26.0,0.609,App,11.0,-585.24938828,0.45484 |
| 14687,Cs,C1,-6.1489,,,-0.2242,,,-346.42322789,1.00779 |
| 17657,Cs,Cs,-6.4713,Ap,21.0,2.3456,Ap,22.0,-348.88387296,2.01215 |
| 64196,Cs,Cs,-6.5977,Ap,23.0,2.0237,Ap,24.0,-424.07491785,2.86864 |
| 52614,Cs,C1,-6.1254,,,1.5359,,,-367.07043374,1.62652 |
| 10858,Cs,Cs,-7.6631,App,11.0,2.2459,Ap,22.0,-314.26855472,0.11446 |
| 36200,Cs,Cs,-6.0578,Ap,22.0,0.8602,Ap,23.0,-381.92971567,3.28751 |
| 62294,Cs,Cs,-6.7028,App,8.0,1.5287,App,9.0,-348.53679126,0.60341 |
| 63252,Cs,Cs,-6.1912,Ap,21.0,-2.243,Ap,22.0,-422.9422509,4.67931 |
| 42095,C2,C2,-6.704,B,17.0,2.2799,A,19.0,-424.12087113,2.60682 |
| 57688,Cs,Cs,-7.2583,App,9.0,0.3615,Ap,25.0,-401.77197609,4.71393 |
| 37978,C2,C2,-7.5618,B,16.0,2.4656,A,19.0,-351.04930132,0.21451 |
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| 26462,Cs,Cs,-5.6696,App,9.0,1.3581,App,10.0,-381.97045713,4.51316 |
| 65892,Cs,C1,-6.9932,,,-1.4575,,,-385.74118624,4.00701 |
| 37608,C2v,C2v,-6.7176,A2,4.0,2.3134,A1,14.0,-348.60532582,0.09799 |
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| 104699,Cs,Cs,-7.2418,Ap,23.0,0.4598,App,13.0,-424.15437246,4.25414 |
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| 89557,D2,C2,-7.0234,B,17.0,2.5382,A,19.0,-352.28873979,0.09772 |
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| 118640,Cs,Cs,-6.9065,App,14.0,1.6077,Ap,22.0,-352.27400903,0.44923 |
| 64097,Cs,Cs,-7.4862,App,12.0,1.1443,Ap,24.0,-460.07159693,6.0144 |
| 21094,Cs,C1,-6.2644,,,0.3633,,,-359.9513395,4.72275 |
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| 44505,Cs,Cs,-6.5089,App,11.0,-0.5801,Ap,23.0,-421.64442148,0.77144 |
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| 1512,Cs,C1,-6.4677,,,-0.0745,,,-310.88795495,2.46633 |
| 76403,Cs,C1,-5.9093,,,2.2663,,,-368.29492765,1.0921 |
| 29555,C2v,C2v,-6.3169,B2,11.0,-0.7559,B1,5.0,-421.7429795,2.99176 |
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| 68213,Cs,Cs,-6.867,App,11.0,2.6506,Ap,24.0,-351.06742886,0.24289 |
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| 75,Cs,Cs,-6.9412,App,4.0,1.0666,App,5.0,-248.3440554,1.18924 |
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| 124949,Cs,Cs,-5.8826,App,8.0,0.8265,App,9.0,-397.98745471,1.38222 |
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| 21754,C2h,C2h,-7.4162,Au,3.0,-1.725,Bg,3.0,-413.21741847,0.0 |
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| 59590,Cs,Cs,-6.2771,App,9.0,-0.5694,App,10.0,-403.08636433,4.00568 |
| 1358,Cs,Cs,-6.6804,App,10.0,2.3816,Ap,19.0,-274.94679878,0.06956 |
| 26660,Cs,Cs,-4.9588,App,7.0,0.9899,App,8.0,-422.93474887,2.00439 |
| 63993,Cs,Cs,-6.5387,App,9.0,-0.587,App,10.0,-401.80617398,1.791 |
| 39949,Cs,Cs,-5.4889,Ap,19.0,0.9089,App,15.0,-349.85041301,0.16248 |
| 18130,C2v,C2v,-6.5835,B1,8.0,1.9329,A1,12.0,-384.8368592,0.15215 |
| 14754,Cs,Cs,-7.0984,App,7.0,1.0852,Ap,25.0,-364.97897216,4.74469 |
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| 660,Cs,Cs,-6.9726,App,9.0,2.5942,Ap,16.0,-307.48417953,1.9506 |
| 7087,Cs,C1,-6.771,,,-1.0791,,,-347.70318022,3.42222 |
| 255,Cs,Cs,-6.6706,Ap,17.0,1.0795,App,8.0,-287.65145469,3.72192 |
| 14732,Cs,Cs,-6.4668,Ap,25.0,0.8934,App,8.0,-366.17446027,2.99074 |
| 8354,C3v,C3v,-6.421,Ap,21.0,1.5842,App,9.0,-310.51230081,0.27162 |
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| 29655,Cs,Cs,-5.3538,App,7.0,1.0244,App,8.0,-439.0134554,5.14652 |
| 65478,Cs,Cs,-6.7327,Ap,24.0,1.6352,App,10.0,-349.804699,0.65285 |
| 34494,Cs,Cs,-6.145,App,8.0,-0.6992,App,9.0,-400.56237598,1.25112 |
| 59286,Cs,Cs,-5.832,App,9.0,0.0716,App,10.0,-399.24697836,1.17929 |
| 543,Cs,Cs,-6.9958,App,6.0,2.2912,Ap,20.0,-272.78698138,1.44639 |
| 54909,Cs,Cs,-6.5255,Ap,26.0,0.979,App,10.0,-404.28116147,3.45754 |
| 6945,Cs,Cs,-7.3034,Ap,22.0,-0.6094,App,9.0,-399.71682101,1.78503 |
| 58343,Cs,C1,-7.2284,,,-0.3094,,,-456.27503095,1.60801 |
| 5937,Cs,Cs,-6.9222,App,9.0,1.5037,Ap,23.0,-348.87795738,1.79558 |
| 133808,Cs,Cs,-7.3279,App,11.0,2.1854,Ap,27.0,-570.41155988,2.855 |
| 57396,Cs,Cs,-6.4385,App,10.0,0.9871,App,11.0,-404.28154239,1.37011 |
| 42035,C2,C2,-6.4757,A,19.0,2.1609,A,20.0,-460.00866724,1.91027 |
| 99414,Cs,Cs,-8.2912,Ap,21.0,-0.3328,Ap,22.0,-379.49348322,4.26865 |
| 59129,Cs,Cs,-6.0904,Ap,23.0,2.1254,Ap,24.0,-367.03006241,1.84623 |
| 116928,Cs,C1,-6.3048,,,1.7132,,,-351.05203037,0.03845 |
| 40972,Cs,Cs,-6.7174,App,12.0,2.1625,Ap,24.0,-459.99338304,2.15965 |
| 93696,Cs,Cs,-6.7259,App,12.0,2.2853,Ap,25.0,-425.34694191,1.6396 |
| 121816,Cs,Cs,-6.6597,Ap,26.0,-0.4045,App,11.0,-425.32922496,1.227 |
| 5867,Cs,Cs,-6.6747,App,9.0,1.1919,Ap,23.0,-348.87529716,1.48846 |
| 54384,Cs,C1,-6.5579,,,0.7476,,,-438.91517345,2.63395 |
| 96685,Cs,Cs,-6.9029,Ap,27.0,0.6523,App,8.0,-419.09906834,4.9729 |
| 124459,Cs,C1,-6.8271,,,0.2341,,,-399.23562949,0.6298 |
| 1606,Cs,Cs,-6.5706,App,5.0,-0.5402,App,6.0,-324.45126814,3.71345 |
| 78690,Cs,Cs,-5.5309,Ap,23.0,2.358,Ap,24.0,-367.02827129,1.26981 |
| 124617,Cs,Cs,-6.6445,App,9.0,-0.4838,App,10.0,-451.18080508,0.81486 |
| 1278,Cs,Cs,-7.1439,Ap,22.0,0.6176,App,7.0,-346.80874336,2.00791 |
| 8398,Cs,Cs,-7.5801,Ap,20.0,2.4253,Ap,21.0,-312.9767375,0.19698 |
| 17809,Cs,Cs,-7.7388,App,10.0,2.5821,Ap,22.0,-312.96974069,0.1047 |
| 52847,Cs,C1,-6.3722,,,1.8592,,,-351.07971273,0.21576 |
| 26179,Cs,Cs,-5.3152,App,9.0,0.8254,App,10.0,-422.92068034,2.08247 |
| 1932,Cs,Cs,-5.6899,Ap,16.0,2.2207,Ap,17.0,-289.74448693,1.94609 |
| 57234,Cs,Cs,-7.1673,Ap,24.0,-1.5854,App,9.0,-384.49004139,3.4166 |
| 41408,C2,C2,-6.6682,B,16.0,1.9656,B,17.0,-422.87255174,0.76449 |
| 57247,Cs,Cs,-7.357,Ap,25.0,-3.1045,App,9.0,-437.75138229,3.58448 |
| 56148,Cs,Cs,-6.4325,Ap,26.0,1.2512,App,11.0,-441.40467763,3.83252 |
| 77682,Cs,Cs,-5.7894,Ap,22.0,2.4132,Ap,23.0,-404.23203076,0.8909 |
| 1279,Cs,C1,-7.1078,,,1.704,,,-362.85676525,2.48171 |
| 36594,Cs,Cs,-6.883,Ap,24.0,1.7594,Ap,25.0,-349.78286188,0.65388 |
| 23751,C2v,C2v,-6.5668,B1,3.0,-0.2113,B1,4.0,-430.48627861,2.1479 |
| 14158,Cs,Cs,-6.1753,Ap,21.0,0.1205,App,10.0,-347.65766116,1.91968 |
| 98391,Cs,C1,-6.9896,,,-1.3589,,,-490.93458827,3.53907 |
| 3172,C2,C2,-6.9193,B,12.0,2.6752,A,16.0,-273.73945082,0.2088 |
| 3777,Cs,Cs,-7.4491,App,5.0,-1.8516,App,6.0,-392.38675538,1.71719 |
| 8395,Cs,C1,-6.6779,,,0.6478,,,-399.6197258,2.17288 |
| 14625,S2,Ci,-6.796,Ag,16.0,-0.733,Au,16.0,-384.8475485,0.0 |
| 123322,Cs,C2v,-7.4263,B1,3.0,-1.8857,B1,4.0,-414.09611548,3.96337 |
| 104816,Cs,Cs,-6.7474,Ap,23.0,-0.7119,App,13.0,-424.11851264,1.05039 |
| 124596,Cs,Cs,-5.909,App,9.0,0.1943,App,10.0,-435.12086358,3.77924 |
| 294,Cs,Cs,-6.3909,App,8.0,2.3613,Ap,17.0,-271.56605112,1.76199 |
| 74273,Cs,Cs,-6.2832,Ap,25.0,-0.9253,App,10.0,-387.04327995,3.23251 |
| 58102,C2,C2,-6.6915,B,18.0,1.8784,A,20.0,-426.53208571,2.8689 |
| 3164,Cs,Cs,-6.2182,Ap,17.0,1.0076,App,10.0,-272.51548428,0.0521 |
| 17810,Cs,Cs,-6.208,Ap,21.0,2.2424,Ap,22.0,-348.85293965,2.14918 |
| 53916,Cs,C1,-7.8769,,,-1.7142,,,-416.68108958,1.88986 |
| 8507,C2v,C2v,-6.3928,B1,6.0,1.8925,A1,15.0,-383.51209755,0.21886 |
| 27381,C2,C2,-5.6801,B,15.0,0.04,B,16.0,-453.82006874,6.15957 |
| 18920,C2,C2,-6.1739,B,13.0,0.0034,B,14.0,-346.47502111,3.16004 |
| 31068,Cs,C1,-4.778,,,1.082,,,-419.1228753,2.65318 |
| 5152,Cs,Cs,-5.459,App,9.0,0.8782,Ap,20.0,-325.39750761,1.69979 |
| 3191,C2v,C2v,-5.8337,B2,6.0,-0.3473,B1,7.0,-307.17252336,1.84988 |
| 62611,C2v,C2v,-5.7598,B2,6.0,0.3982,A2,3.0,-349.80992218,0.22998 |
| 223,Cs,Cs,-6.6399,Ap,17.0,-0.3865,App,8.0,-271.59281348,2.59413 |
| 62640,Cs,Cs,-5.9651,App,9.0,2.3689,Ap,26.0,-386.9053255,1.97226 |
| 13159,Cs,C1,-6.0825,,,-1.4114,,,-379.78774211,3.69892 |
| 20556,Cs,C1,-6.87,,,0.2054,,,-359.95173986,0.65712 |
| 7399,C2,C2,-6.4823,B,14.0,-2.6031,B,15.0,-419.55680653,1.71725 |
| 62711,Cs,Cs,-6.2178,App,9.0,2.569,Ap,26.0,-386.94615352,1.67584 |
| 123195,Cs,Cs,-6.7722,App,8.0,1.7035,Ap,28.0,-388.16265336,1.41396 |
| 100062,Cs,Cs,-6.5756,App,12.0,2.2405,Ap,25.0,-389.40412665,1.22076 |
| 8408,Cs,Cs,-6.7145,App,11.0,2.1733,Ap,21.0,-348.90647537,1.85299 |
| 1135,Cs,Cs,-6.5537,Ap,19.0,1.2055,App,9.0,-325.71683916,3.99727 |
| 9983,Cs,Cs,-6.9367,App,10.0,-1.0413,App,11.0,-398.42974033,5.50023 |
| 129143,C2,C2,-7.3215,B,15.0,-2.9321,A,18.0,-460.83828594,2.98015 |
| 65215,Cs,Cs,-6.2507,Ap,22.0,1.0061,App,13.0,-351.08289637,0.09667 |
| 3198,C2v,C2v,-6.6802,B2,6.0,2.2224,A1,11.0,-309.66453537,1.50251 |
| 107756,Cs,Cs,-6.9451,App,11.0,2.3731,Ap,24.0,-351.10591397,0.03579 |
| 65041,Cs,Cs,-6.2206,App,10.0,1.5772,Ap,24.0,-349.79841761,0.69213 |
| 3190,C2v,C2v,-5.8212,B2,6.0,0.1193,B1,7.0,-271.28879906,0.03242 |
| 90170,Cs,Cs,-5.7048,Ap,22.0,2.2848,Ap,23.0,-351.06189329,0.49694 |
| 68452,Cs,Cs,-6.7414,App,9.0,1.0862,App,10.0,-403.04795384,3.20034 |
| 7895,Cs,Cs,-6.2164,Ap,18.0,-2.2709,Ap,19.0,-383.65808064,4.65018 |
| 6598,Cs,Cs,-6.7392,Ap,22.0,-0.6459,App,9.0,-383.56713481,3.56379 |
| 38643,C2,C2,-6.0401,B,16.0,0.1768,A,18.0,-421.66954785,0.18597 |
| 124436,Cs,Cs,-6.111,App,9.0,0.9667,App,10.0,-383.20162356,2.81208 |
| 52860,C2v,C1,-5.8169,,,1.2506,,,-348.58235905,0.1142 |
| 95790,Cs,Cs,-5.8692,App,14.0,1.7287,Ap,22.0,-420.34652299,3.83954 |
| 5841,Cs,Cs,-6.428,Ap,23.0,-0.1381,App,10.0,-386.06697711,2.56139 |
| 8355,Cs,C1,-6.2144,,,0.7654,,,-346.39341167,2.09278 |
| 96663,Cs,Cs,-6.3527,Ap,26.0,1.0052,App,11.0,-405.47970915,0.82281 |
| 126487,Cs,C1,-7.7849,,,-0.8684,,,-419.05950526,4.11116 |
| 694,D2d,D2d,-7.7942,A,7.0,3.1148,B1,6.0,-233.15733288,0.0 |
| 2644,C2v,Cs,-6.3908,Ap,14.0,1.4566,Ap,15.0,-271.24638057,0.26534 |
| 26366,Cs,Cs,-5.0443,App,9.0,1.4882,App,10.0,-367.17196195,2.1666 |
| 39619,Cs,Cs,-5.5301,App,7.0,-0.3719,App,8.0,-385.76436799,2.55023 |
| 86260,Cs,Cs,-6.6388,App,11.0,1.6143,App,12.0,-351.04474157,0.67254 |
| 9720,Cs,Cs,-8.2589,App,10.0,1.2015,Ap,21.0,-327.88530174,3.91856 |
| 100434,Cs,C1,-7.0125,,,0.4298,,,-419.10018985,4.23179 |
| 40308,C2,C2,-7.051,B,16.0,2.3133,A,19.0,-422.82321686,2.58082 |
| 119732,Cs,C1,-6.683,,,2.3215,,,-388.16670736,1.08436 |
| 7063,Cs,Cs,-6.8158,App,12.0,0.9812,Ap,18.0,-346.40102697,1.8711 |
| 14686,Cs,Cs,-6.008,App,6.0,0.1795,Ap,24.0,-310.54628403,0.21685 |
| 20267,C2,C2,-6.933,B,14.0,2.8725,B,15.0,-310.54094928,0.05136 |
| 36606,Cs,Cs,-6.9611,Ap,24.0,0.2552,Ap,25.0,-417.78010964,2.95993 |
| 14663,C2h,C2h,-6.1976,Bg,3.0,-0.603,Bu,12.0,-382.30600727,0.0 |
| 128340,C2,C2,-4.9325,B,16.0,0.7224,B,17.0,-431.29249241,1.35896 |
| 264,Cs,Cs,-7.156,Ap,19.0,0.6059,App,6.0,-307.52494004,1.93775 |
| 33576,Cs,Cs,-8.8029,App,10.0,-0.1113,Ap,23.0,-380.78055093,4.86717 |
| 6127,Cs,Cs,-6.4116,App,9.0,1.2358,App,10.0,-364.99967964,3.45974 |
| 10255,Cs,Cs,-9.0338,Ap,17.0,-0.1413,Ap,18.0,-342.70114037,4.50482 |
| 1076,Cs,Cs,-5.3114,App,9.0,1.4237,Ap,18.0,-288.59809053,2.11114 |
| 38691,C2,C2,-6.4802,A,18.0,2.4284,A,19.0,-422.9333382,0.29733 |
| 37983,C2,C2,-6.4878,A,18.0,2.9192,A,19.0,-422.83840384,0.29386 |
| 122829,Cs,Cs,-6.628,App,8.0,1.9546,App,9.0,-441.42130619,2.36763 |
| 64046,Cs,C1,-5.6027,,,-0.4323,,,-351.10188152,0.49846 |
| 31983,C2,C2,-5.1069,A,18.0,1.0357,B,17.0,-458.80319353,1.23765 |
| 59811,Cs,Cs,-6.4749,Ap,26.0,-0.2382,App,10.0,-420.33775043,1.90231 |
| 68397,Cs,Cs,-6.7738,App,12.0,2.0946,Ap,24.0,-388.19830818,1.36819 |
| 8736,C2,C2,-8.8215,A,15.0,0.4117,A,16.0,-342.70593352,6.21912 |
| 63277,Cs,Cs,-6.7266,App,11.0,0.9463,App,12.0,-403.03161487,2.965 |
| 6140,Cs,Cs,-8.0931,Ap,22.0,1.0043,App,9.0,-327.86103936,4.35017 |
| 22000,Cs,Cs,-5.1212,App,5.0,-1.6816,App,6.0,-400.58514326,1.23534 |
| 49321,Cs,Cs,-7.3917,Ap,27.0,-3.0689,App,6.0,-472.50342722,4.35577 |
| 64199,Cs,Cs,-6.665,App,12.0,1.7497,Ap,24.0,-424.07514977,0.53766 |
| 14564,C2,C2,-6.8119,A,14.0,0.9868,A,15.0,-308.03373081,0.34784 |
| 123087,Cs,Cs,-6.4791,Ap,28.0,-0.1018,App,9.0,-389.45479747,2.60279 |
| 57825,Cs,Cs,-7.1688,App,6.0,-2.1178,App,7.0,-416.64992447,5.64475 |
| 121576,Cs,C1,-7.0416,,,-0.6705,,,-422.9042078,2.38096 |
| 12311,C2,C2,-7.579,A,16.0,-1.809,B,15.0,-455.48161983,5.93552 |
| 60688,Cs,C1,-6.4992,,,-1.4756,,,-420.31014741,2.71234 |
| 18925,C2,C2,-6.2769,B,13.0,-1.019,B,14.0,-418.24309978,2.73125 |
| 218,C3v,C3v,-6.9131,Ap,16.0,1.8707,Ap,17.0,-234.42249085,0.58285 |
| 121842,Cs,Cs,-6.6785,App,11.0,2.0322,Ap,27.0,-426.52891233,2.33083 |
| 2691,Cs,Cs,-6.8939,Ap,21.0,1.7533,Ap,22.0,-273.7059433,0.79922 |
| 9904,Cs,Cs,-6.02,App,8.0,0.8244,App,9.0,-364.9436751,2.81115 |
| 128383,C2,C2,-5.8995,B,16.0,-0.1652,B,17.0,-451.11728658,5.21446 |
| 41675,Cs,Cs,-5.8011,App,10.0,0.6993,App,11.0,-349.85454714,0.38014 |
| 66796,C3v,C3v,-6.768,Ap,22.0,2.1011,Ap,23.0,-348.54118454,0.11465 |
| 99947,Cs,Cs,-6.9162,Ap,25.0,-1.4013,App,10.0,-386.96864084,2.7252 |
| 63747,Cs,Cs,-6.4434,App,10.0,1.8038,Ap,26.0,-388.17753204,2.16802 |
| 5827,Cs,Cs,-6.9289,Ap,22.0,-1.413,App,9.0,-347.68794721,2.80916 |
| 6059,C2,C2,-7.1906,B,14.0,-1.5517,B,15.0,-414.50766754,1.00152 |
| 36020,Cs,Cs,-9.296,App,12.0,-0.4264,Ap,20.0,-395.60344084,5.94258 |
| 106416,Cs,Cs,-6.5685,App,11.0,2.8173,Ap,24.0,-386.90884099,1.12672 |
| 77490,Cs,Cs,-6.5187,App,11.0,0.043,Ap,24.0,-422.86018848,2.90076 |
| 20485,C2v,C2v,-7.1866,B2,4.0,-1.0625,B2,5.0,-450.32062346,4.69972 |
| 97284,Cs,Cs,-6.6655,App,6.0,-0.6385,App,7.0,-435.14662739,2.49258 |
| 64938,Cs,C1,-6.1846,,,1.2194,,,-348.56664521,0.69604 |
| 26297,Cs,Cs,-5.7057,App,9.0,0.8816,App,10.0,-439.00291614,5.42004 |
| 3166,Cs,Cs,-6.5509,Ap,17.0,0.7772,App,10.0,-308.41368641,1.89662 |
| 117714,C2v,C2v,-7.7921,B2,11.0,2.2361,A1,16.0,-354.74523761,0.08481 |
| 47285,Cs,Cs,-7.9593,Ap,19.0,-2.6219,App,15.0,-493.55618369,3.41763 |
| 63994,Cs,Cs,-7.3125,App,9.0,-1.3128,App,10.0,-417.89788965,5.4057 |
| 124439,Cs,Cs,-7.2304,App,9.0,-0.8169,App,10.0,-419.0712088,4.2225 |
| 46184,Cs,Cs,-6.9553,App,8.0,0.6603,App,9.0,-401.76178034,2.47836 |
| 647,C2v,C2v,-7.9588,A2,2.0,2.6443,A1,11.0,-234.44779618,0.04563 |
| 8717,C2h,C2h,-7.2411,Ag,12.0,-3.0851,Au,3.0,-379.89505594,0.0 |
| 58743,Cs,Cs,-6.2967,Ap,23.0,0.4964,App,12.0,-386.96618597,2.86141 |
| 1140,Cs,Cs,-7.4629,Ap,20.0,2.3855,Ap,21.0,-274.95318111,0.08256 |
| 1342,Cs,Cs,-6.2714,Ap,18.0,0.9888,App,10.0,-273.75376849,0.10358 |
| 123918,C2,C2,-5.3425,B,15.0,0.3606,B,16.0,-430.08726964,2.08417 |
| 78051,Cs,Cs,-6.4818,Ap,22.0,2.59,Ap,23.0,-352.27833259,0.08541 |
| 4235,Cs,Cs,-8.4717,App,10.0,2.3791,Ap,19.0,-454.7228717,2.19115 |
| 4224,Cs,Cs,-9.3592,App,8.0,0.3344,Ap,20.0,-469.5735889,3.18456 |
| 14791,Cs,Cs,-6.6305,App,8.0,2.5822,Ap,26.0,-351.35700853,0.91466 |
| 104671,C2,C2,-7.4574,B,17.0,2.5001,A,19.0,-352.24435089,0.14758 |
| 57272,Cs,Cs,-6.4127,Ap,23.0,1.5486,Ap,24.0,-386.92824954,2.27666 |
| 123193,Cs,Cs,-6.8453,App,8.0,1.6568,Ap,28.0,-388.16319889,1.13157 |
| 8506,Cs,Cs,-6.1907,App,8.0,2.0727,Ap,23.0,-363.64905714,1.38621 |
| 522,Cs,C1,-6.5017,,,1.2457,,,-270.31209141,1.00803 |
| 39952,C2v,C2v,-5.2145,B1,6.0,0.5531,A2,5.0,-385.74288405,1.23014 |
| 26291,C2v,C2v,-6.227,B2,4.0,-0.8003,A2,3.0,-414.10889917,2.90802 |
| 3995,Cs,Cs,-6.5936,App,9.0,0.1098,App,10.0,-400.81305502,1.26034 |
| 26463,Cs,Cs,-5.6621,App,9.0,1.3877,App,10.0,-381.97117975,4.22385 |
| 706,C2v,C2v,-5.5267,B1,7.0,2.5629,B2,5.0,-233.15646312,0.36929 |
| 2390,D2d,D2d,-6.8084,B3,6.0,1.6007,B1,8.0,-345.49469885,0.0 |
| 124609,Cs,Cs,-6.4889,App,9.0,0.0288,App,10.0,-455.03388484,2.88331 |
| 39616,Cs,Cs,-5.6806,Ap,21.0,0.7722,Ap,22.0,-349.8681825,0.13469 |
| 24994,Cs,Cs,-6.302,Ap,21.0,0.5258,App,13.0,-473.65874191,4.29921 |
| 14172,Cs,C1,-6.7211,,,2.3193,,,-313.02507141,0.16353 |
| 36953,Cs,Cs,-6.1907,Ap,19.0,1.8167,Ap,20.0,-440.08783676,0.93968 |
| 117081,Cs,Cs,-6.8487,Ap,26.0,1.1315,App,11.0,-405.48415234,1.17017 |
| 121829,Cs,Cs,-6.9953,App,11.0,2.1826,Ap,27.0,-390.63314807,1.45548 |
| 124486,Cs,Cs,-6.4939,App,9.0,0.015,App,10.0,-403.04672776,3.4404 |
| 14235,C2,C2,-6.9274,A,16.0,2.3526,A,17.0,-312.99722699,0.15308 |
| 106163,Cs,Cs,-6.6308,App,11.0,2.0231,Ap,24.0,-386.94057287,1.60639 |
| 8943,C2,C2,-6.8965,B,16.0,2.1741,B,17.0,-387.23876419,1.79155 |
| 97359,Cs,Cs,-7.0711,App,9.0,0.4107,App,10.0,-419.0799246,5.51016 |
| 2719,C2v,C2v,-8.0501,B2,10.0,2.5933,A1,13.0,-276.18341298,0.05438 |
| 72600,Cs,Cs,-6.5708,Ap,20.0,2.6306,Ap,21.0,-351.05327766,0.13699 |
| 46525,Cs,Cs,-7.4592,App,12.0,1.3022,Ap,23.0,-458.83287934,6.11157 |
| 26651,Cs,C1,-4.7965,,,1.694,,,-383.21415314,0.75665 |
| 106594,D2,C2,-7.491,B,17.0,2.6041,A,19.0,-352.2667934,0.01175 |
| 24618,Cs,Cs,-5.3162,App,8.0,1.3877,App,9.0,-365.9330648,2.09326 |
| 62885,Cs,Cs,-6.5071,Ap,25.0,2.0747,Ap,26.0,-422.79051381,3.46822 |
| 39617,C2v,C2v,-5.978,B1,5.0,0.4651,B1,6.0,-385.7566893,2.17987 |
| 22251,Cs,Cs,-6.677,Ap,26.0,-0.9395,App,10.0,-456.19486072,3.36718 |
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|
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