Sf_category,Sf_framecode,Entry_ID,Sf_ID,ID,Name,Data_file_name,Chem_shifts_calc_type_ID,Chem_shifts_calc_type_label,Model_atomic_coordinates_ID,Model_atomic_coordinates_label,Tensor_list_ID,Tensor_list_label,Fermi_contact_spin_density_units,Chem_shift_1H_err,Chem_shift_2H_err,Chem_shift_13C_err,Chem_shift_15N_err,Chem_shift_19F_err,Chem_shift_31P_err,Details,Text_data_format,Text_data
theoretical_chem_shifts,theoretical_chem_shifts,bmst000001,34680,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000002,34690,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000007,34700,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000008,34710,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000009,34720,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000010,34730,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000019,34740,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000022,34750,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000023,34760,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000033,34770,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000039,34780,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000051,34790,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000052,34800,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000056,34810,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000057,34820,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000058,34830,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000059,34840,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000063,34850,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000074,34860,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000076,34870,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000084,34880,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000086,34890,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000087,34899,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000089,34909,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000090,34919,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000091,34929,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000092,34939,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000093,34949,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000094,34959,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000095,34969,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000097,34979,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000098,34989,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000101,34999,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000105,35009,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000108,35019,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000109,35029,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000110,35039,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000112,35049,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000113,35059,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000114,35069,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000115,35079,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000117,35089,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000119,35099,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000123,35109,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000125,35119,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000126,35129,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000127,35139,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000131,35149,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000151,35159,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000154,35169,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000156,35179,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000158,35188,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000159,35198,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000160,35208,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000161,35218,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000162,35228,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000163,35238,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000164,35248,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000165,35258,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000166,35268,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000167,35278,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000168,35288,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000169,35298,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000170,35308,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000171,35318,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000172,35328,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000173,35338,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000174,35348,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000175,35358,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000177,35368,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000178,35378,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000180,35388,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000182,35398,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000183,35408,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000184,35418,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000185,35428,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000186,35438,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000187,35448,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000188,35458,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000189,35468,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000190,35478,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000191,35488,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000192,35498,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000194,35508,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000195,35518,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000196,35528,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000197,35538,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000198,35548,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000199,35558,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000200,35568,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000201,35578,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000202,35588,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000203,35598,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000204,35608,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000206,35618,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000208,35628,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000209,35638,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000210,35648,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000211,35658,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000212,35668,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000213,35678,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000214,35688,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000215,35698,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000216,35708,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000217,35718,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000218,35728,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000219,35738,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000220,35748,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000221,35758,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000222,35768,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000223,35778,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000224,35788,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000225,35798,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000226,35808,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000227,35818,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000228,35827,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000229,35837,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000230,35847,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000231,35857,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000232,35867,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000233,35877,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000234,35887,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000235,35897,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000236,35907,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000237,35917,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000238,35927,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000239,35937,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000241,35947,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000242,35957,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000243,35967,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000244,35977,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000245,35987,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000246,35997,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000247,36007,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000248,36017,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000249,36027,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000250,36037,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000251,36047,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000252,36057,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000253,36067,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000254,36077,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000255,36087,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000256,36097,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
theoretical_chem_shifts,theoretical_chem_shifts,bmst000257,36107,1,,,1,chem_shifts_calc_type,1,conformer_family_coord_set_1,,,,,,,,,,,,
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